Glisin (gly)

Atom Bond Bond Angle Angle (o) 2nd Angle 2nd 2nd Angle
Atom Length (A) Atom Atom Angle (o) Type
1 C(5)
2 C(1) C(5) 1.5090
3 N(4) C(1) 1.4380 C(5) 109.5200
4 O(6) C(5) 1.3380 C(1) 120.0000 N(4) -60.0119 Dihedral
5 O(7) C(5) 1.2080 C(1) 120.0000 O(6) 120.0000 Pro-R
6 H(2) C(1) 1.1130 N(4) 109.4418 C(5) 109.4618 Pro-S
7 H(3) C(1) 1.1130 N(4) 109.4418 C(5) 109.4618 Pro-R
8 H(8) N(4) 1.0200 C(1) 109.4700 C(5) 59.9996 Dihedral
9 H(9) N(4) 1.0200 C(1) 109.4700 H(8) 104.5000 Pro-S
10 H(10) O(6) 0.9720 C(5) 106.1000 C(1) -180.0000 Dihedral

Alanin (ala)
 Atom Bond Bond Angle Angle (o) 2nd Angle 2nd 2nd Angle
Atom Length (A) Atom Atom Angle (o) Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(5) C(1) 1.4380 C(2) 109.4618 C(3) 109.4618 Pro-R
5 O(6) C(3) 1.3380 C(1) 120.0000 C(2) 180.0000 Dihedral
6 O(7) C(3) 1.2080 C(1) 120.0000 O(6) 120.0000 Pro-R
7 H(4) C(1) 1.1130 C(2) 109.4418 C(3) 109.4418 Pro-S
8 H(8) C(2) 1.1130 C(1) 109.5000 C(3) 180.0000 Dihedral
9 H(9) C(2) 1.1130 C(1) 109.4418 H(8) 109.4418 Pro-R
10 H(10) C(2) 1.1130 C(1) 109.4618 H(8) 109.4618 Pro-S
11 H(11) N(5) 1.0200 C(1) 109.4700 C(2) -180.0000 Dihedral
12 H(12) N(5) 1.0200 C(1) 109.4700 H(11) 104.5000 Pro-S
13 H(13) O(6) 0.9720 C(3) 106.1000 C(1) 180.0000 Dihedral

Prolin (pro)
 Atom Bond Bond Angle Angle (o) 2nd Angle 2nd Angle 2nd Angle Type
Atom Length (A) Atom Atom (o)
1 N(1)
2 C(3) N(1) 1.4602
3 C(4) N(1) 1.4602 C(3) 104.9666
4 C(5) C(3) 1.5189 N(1) 103.7757 C(4) -40.5423 Dihedral
5 C(6) C(4) 1.5190 N(1) 103.8332 C(3) 40.3569 Dihedral
6 C(7) C(3) 1.5090 N(1) 110.8518 C(5) 110.8518 Pro-S
7 O(9) C(7) 1.3380 C(3) 120.0000 N(1) -57.3464 Dihedral
8 O(8) C(7) 1.2080 C(3) 120.0000 O(9) 120.0000 Pro-S
9 H(2) N(1) 1.0200 C(3) 110.7746 C(4) 109.4700 Pro-S
10 H(10) C(3) 1.1130 N(1) 112.7708 C(5) 112.7708 Pro-R
11 H(11) C(4) 1.1130 N(1) 110.8378 C(6) 110.8378 Pro-S
12 H(12) C(4) 1.1130 N(1) 112.7378 C(6) 112.7378 Pro-R
13 H(13) C(5) 1.1130 C(3) 110.5275 C(6) 110.5275 Pro-R
14 H(14) C(5) 1.1130 C(3) 112.0071 C(6) 112.0071 Pro-S
15 H(15) C(6) 1.1130 C(4) 110.5229 C(5) 110.5229 Pro-R
16 H(16) C(6) 1.1130 C(4) 111.9963 C(5) 111.9963 Pro-S
17 H(17) O(9) 0.9720 C(7) 106.1000 C(3) -0.0000 Dihedral

Valin (val)
 Atom Bond Bond Length Angle Atom Angle (o) 2nd Angle 2nd 2nd Angle
Atom (A) Atom Angle (o) Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(4) C(1) 1.4380 C(2) 109.4418 C(3) 109.4418 Pro-S
5 C(6) C(2) 1.5230 C(1) 109.5000 C(3) 0.0000 Dihedral
6 C(7) C(2) 1.5230 C(1) 109.4418 C(6) 109.4418 Pro-S
7 O(8) C(3) 1.3380 C(1) 120.0000 C(2) 180.0000 Dihedral
8 O(9) C(3) 1.2080 C(1) 120.0000 O(8) 120.0000 Pro-R
9 H(5) C(1) 1.1130 C(2) 109.4618 C(3) 109.4618 Pro-R
10 H(10) C(2) 1.1130 C(1) 109.4618 C(6) 109.4618 Pro-R
11 H(11) N(4) 1.0200 C(1) 109.4700 C(2) 180.0000 Dihedral
12 H(12) N(4) 1.0200 C(1) 109.4700 H(11) 104.5000 Pro-S
13 H(13) C(6) 1.1130 C(2) 109.5000 C(1) 180.0000 Dihedral
14 H(14) C(6) 1.1130 C(2) 109.4418 H(13) 109.4418 Pro-S
15 H(15) C(6) 1.1130 C(2) 109.4618 H(13) 109.4618 Pro-R
16 H(16) C(7) 1.1130 C(2) 109.5000 C(1) -180.0000 Dihedral
17 H(17) C(7) 1.1130 C(2) 109.4418 H(16) 109.4418 Pro-R
18 H(18) C(7) 1.1130 C(2) 109.4618 H(16) 109.4618 Pro-S
19 H(19) O(8) 0.9720 C(3) 106.1000 C(1) 180.0000 Dihedral

Metionin (met)
 Atom Bond Bond Angle Angle (o) 2nd Angle 2nd Angle (o) 2nd Angle
Atom Length (A) Atom Atom Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(5) C(1) 1.4380 C(2) 109.4618 C(3) 109.4618 Pro-S
5 C(6) C(2) 1.5230 C(1) 109.5000 C(3) 0.0000 Dihedral
6 O(7) C(3) 1.3380 C(1) 120.0000 C(2) -180.0000 Dihedral
7 O(8) C(3) 1.2080 C(1) 120.0000 O(7) 120.0000 Pro-S
8 S(9) C(6) 1.8150 C(2) 109.5000 C(1) 60.0000 Dihedral
9 C(10) S(9) 1.8150 C(6) 96.3000 C(2) -180.0000 Dihedral
10 H(4) C(1) 1.1130 C(2) 109.4418 C(3) 109.4418 Pro-R
11 H(11) C(2) 1.1130 C(1) 109.4418 C(6) 109.4418 Pro-R
12 H(12) C(2) 1.1130 C(1) 109.4618 C(6) 109.4618 Pro-S
13 H(15) C(6) 1.1130 C(2) 109.4418 S(9) 109.4418 Pro-S
14 H(16) C(6) 1.1130 C(2) 109.4618 S(9) 109.4618 Pro-R
15 H(13) N(5) 1.0200 C(1) 109.4700 C(2) 180.0000 Dihedral
16 H(14) N(5) 1.0200 C(1) 109.4700 H(13) 104.5000 Pro-S
17 H(17) O(7) 0.9720 C(3) 106.1000 C(1) -180.0000 Dihedral
18 H(18) C(10) 1.1130 S(9) 109.5000 C(6) -180.0000 Dihedral
19 H(19) C(10) 1.1130 S(9) 109.4418 H(18) 109.4418 Pro-S
20 H(20) C(10) 1.1130 S(9) 109.4618 H(18) 109.4618 Pro-R

Triptofan (trp)
 Atom Bond Bond Angle Angle (o) 2nd 2nd Angle 2nd
Atom Length Atom Angle (o) Angle
(A) Atom Type
1 C(12)
2 C(13) C(12) 1.5230
3 C(7) C(12) 2.5511 C(13) 89.9154
4 C(11) C(12) 1.5230 C(7) 150.0841 C(13) 120.0000 Pro-R
5 N(10) C(13) 1.4992 C(12) 118.6035 C(7) 20.6065 Dihedral
6 C(14) C(13) 1.5230 N(10) 118.2387 C(12) 120.0000 Pro-R
78 C(9) C(7) 1.5230 C(12) 90.0511 C(11) 169.9981 Dihedral
9 C(15) C(14) 1.5230 C(13) 120.0000 N(10) 159.6462 Dihedral
10 C(16) C(11) 1.5230 C(12) 120.0000 C(7) 179.6405 Dihedral
11 C(2) C(7) 1.5230 C(9) 90.0000 C(12) 177.6126 Pro-R
12 C(1) C(2) 1.5230 C(7) 180.0000 C(9) -90.0000 Dihedral
13 C(4) C(1) 1.5230 C(7) 90.0000 C(12) -91.2267 Dihedral
14 N(3) C(1) 1.5230 C(2) 90.0000 C(4) 180.0000 Pro-R
15 O(6) C(4) 1.5230 C(1) 135.0000 C(2) -180.0000 Dihedral
16 O(8) C(4) 1.5230 C(1) 135.0000 O(6) 90.0000 Pro-R
17 H(22) C(9) 1.1000 C(7) 120.0000 N(10) 120.0000 Pro-S
18 H(23) N(10) 1.0500 C(9) 121.9335 C(13) 121.9335 Pro-S
19 H(24) C(11) 1.1000 C(12) 120.0000 C(16) 120.0000 Pro-R
20 H(25) C(14) 1.1000 C(13) 120.0000 C(15) 120.0000 Pro-S
21 H(26) C(15) 1.1000 C(14) 120.0000 C(16) 120.0000 Pro-R
22 H(27) C(16) 1.1000 C(11) 120.0000 C(15) 120.0000 Pro-S
23 H(5) C(1) 1.5230 C(2) 180.0000 N(3) 90.0000 Pro-R
24 H(17) C(2) 1.1130 C(1) 90.0000 N(3) 35.2199 Dihedral
25 H(18) C(2) 1.1130 C(1) 90.0000 H(17) 180.0000 Pro-S
26 H(19) N(3) 1.0200 C(1) 109.4700 C(2) 180.0000 Dihedral
27 H(20) N(3) 1.0200 C(1) 109.4700 H(19) 104.5000 Pro-S
28 H(21) O(6) 0.9720 C(4) 106.1000 C(1) -180.0000 Dihedral
Leusin (leu)
 Atom Bond Bond Angle Angle (o) 2nd 2nd Angle 2nd Angle
Atom Length (A) Atom Angle (o) Type
Atom
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(4) C(1) 1.4380 C(2) 109.4418 C(3) 109.4418 Pro-S
5 H(5) C(1) 1.1130 C(2) 109.4618 C(3) 109.4618 Pro-R
6 C(6) C(2) 1.5230 C(1) 109.5000 C(3) 180.0000 Dihedral
7 H(11) C(2) 1.1130 C(1) 109.4418 C(6) 109.4418 Pro-R
8 H(12) C(2) 1.1130 C(1) 109.4618 C(6) 109.4618 Pro-S
9 O(7) C(3) 1.3380 C(1) 120.0000 C(2) -180.0000 Dihedral
10 O(10) C(3) 1.2080 C(1) 120.0000 O(7) 120.0000 Pro-R
11 C(8) C(6) 1.5230 C(2) 109.5000 C(1) 60.0000 Dihedral
12 C(9) C(6) 1.5230 C(2) 109.4418 C(8) 109.4418 Pro-S
13 H(15) C(6) 1.1130 C(2) 109.4618 C(8) 109.4618 Pro-R
14 H(13) N(4) 1.0200 C(1) 109.4700 C(2) -180.0000 Dihedral
15 H(14) N(4) 1.0200 C(1) 109.4700 H(13) 104.5000 Pro-S
16 H(16) O(7) 0.9720 C(3) 106.1000 C(1) -180.0000 Dihedral
17 H(17) C(8) 1.1130 C(6) 109.5000 C(2) 180.0000 Dihedral
18 H(18) C(8) 1.1130 C(6) 109.4418 H(17) 109.4418 Pro-S
19 H(19) C(8) 1.1130 C(6) 109.4618 H(17) 109.4618 Pro-R
20 H(20) C(9) 1.1130 C(6) 109.5000 C(2) 180.0000 Dihedral
21 H(21) C(9) 1.1130 C(6) 109.4418 H(20) 109.4418 Pro-R
22 H(22) C(9) 1.1130 C(6) 109.4618 H(20) 109.4618 Pro-S

Fenilanin (phe)
 Atom Bond Bond Angle Angle (o) 2nd Angle 2nd Angle (o) 2nd Angle
Atom Length (A) Atom Atom Type
1 C(7)
2 C(8) C(7) 1.5230
3 C(9) C(8) 1.5230 C(7) 120.0000
4 C(10) C(9) 1.5230 C(8) 120.0000 C(7) -0.0001 Dihedral
5 C(11) C(10) 1.5230 C(9) 120.0000 C(8) 0.0001 Dihedral
6 C(12) C(7) 1.5230 C(8) 120.0000 C(9) 0.0001 Dihedral
7 C(13) C(8) 1.5300 C(7) 119.9121 C(9) 118.1945 Pro-S
8 C(1) C(13) 1.5230 C(8) 173.0487 C(7) 90.7647 Dihedral
9 C(2) C(1) 1.5230 C(13) 90.0000 C(8) 100.6187 Dihedral
10 N(3) C(1) 1.5230 C(2) 180.0000 C(13) 90.0000 Pro-R
11 O(5) C(2) 1.5230 C(1) 120.0000 C(13) 180.0000 Dihedral
12 O(6) C(2) 1.5230 C(1) 120.0000 O(5) 120.0000 Pro-R
13 H(17) C(7) 1.1000 C(8) 120.0000 C(12) 120.0000 Pro-S
14 H(18) C(9) 1.1000 C(8) 120.0000 C(10) 120.0000 Pro-R
15 H(19) C(10) 1.1000 C(9) 120.0000 C(11) 120.0000 Pro-S
16 H(20) C(11) 1.1000 C(10) 120.0000 C(12) 120.0000 Pro-R
17 H(21) C(12) 1.1000 C(7) 120.0000 C(11) 120.0000 Pro-S
18 H(4) C(1) 1.5230 C(2) 90.0000 C(13) 180.0000 Pro-R
19 H(22) C(13) 1.1130 C(1) 92.0036 C(8) 92.0036 Pro-S
20 H(23) C(13) 1.1130 C(1) 88.3083 C(8) 88.3083 Pro-R
21 H(14) N(3) 1.0200 C(1) 109.4700 C(13) -0.0000 Dihedral
22 H(15) N(3) 1.0200 C(1) 109.4700 H(14) 104.5000 Pro-S
23 H(16) O(5) 0.9720 C(2) 106.1000 C(1) -180.0000 Dihedral
 Asparagin (asn)

Atom Bond Bond Angle Angle (o) 2nd Angle 2nd Angle 2nd Angle
Atom Length (A) Atom Atom (o) Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(5) C(1) 1.4380 C(2) 109.4618 C(3) 109.4618 Pro-S
5 C(7) C(2) 1.5090 C(1) 109.5000 C(3) 0.0000 Dihedral
6 O(6) C(3) 1.3380 C(1) 120.0000 C(2) -180.0000 Dihedral
7 O(8) C(3) 1.2080 C(1) 120.0000 O(6) 120.0000 Pro-S
8 N(9) C(7) 1.3690 C(2) 120.0000 C(1) -180.0000 Dihedral
9 O(10) C(7) 1.2080 C(2) 120.0000 N(9) 120.0000 Pro-R
10 H(4) C(1) 1.1130 C(2) 109.4418 C(3) 109.4418 Pro-R
11 H(11) C(2) 1.1130 C(1) 109.4418 C(7) 109.4418 Pro-R
12 H(12) C(2) 1.1130 C(1) 109.4618 C(7) 109.4618 Pro-S
13 H(13) N(5) 1.0200 C(1) 109.4700 C(2) -180.0000 Dihedral
14 H(14) N(5) 1.0200 C(1) 109.4700 H(13) 104.5000 Pro-S
15 H(15) O(6) 0.9720 C(3) 106.1000 C(1) -180.0000 Dihedral
16 H(16) N(9) 1.0120 C(7) 120.0000 C(2) 180.0000 Dihedral
17 H(17) N(9) 1.0120 C(7) 120.0000 H(16) 120.0000 Pro-R
 Treonin (thr)

Atom Bond Bond Length Angle Angle (o) 2nd Angle 2nd Angle 2nd
Atom (A) Atom Atom (o) Angle
Type
1 C(3)
2 C(1) C(3) 1.5090
3 C(2) C(1) 1.5230 C(3) 109.5000
4 N(5) C(1) 1.4380 C(2) 109.4618 C(3) 109.4618 Pro-R
5 O(6) C(2) 1.4020 C(1) 109.5000 C(3) 0.0000 Dihedral
6 C(7) C(2) 1.5230 C(1) 109.4418 O(6) 109.4418 Pro-S
7 O(8) C(3) 1.3380 C(1) 120.0000 C(2) 180.0000 Dihedral
8 O(9) C(3) 1.2080 C(1) 120.0000 O(8) 120.0000 Pro-R
9 H(4) C(1) 1.1130 C(2) 109.4418 C(3) 109.4418 Pro-S
10 H(10) C(2) 1.1130 C(1) 109.4618 O(6) 109.4618 Pro-R
11 H(11) N(5) 1.0200 C(1) 109.4700 C(2) -180.0000 Dihedral
12 H(12) N(5) 1.0200 C(1) 109.4700 H(11) 104.5000 Pro-S
13 H(13) O(6) 0.9420 C(2) 106.9000 C(1) 180.0000 Dihedral
14 H(14) C(7) 1.1130 C(2) 109.5000 C(1) 180.0000 Dihedral
15 H(15) C(7) 1.1130 C(2) 109.4418 H(14) 109.4418 Pro-R
16 H(16) C(7) 1.1130 C(2) 109.4618 H(14) 109.4618 Pro-S
17 H(17) O(8) 0.9720 C(3) 106.1000 C(1) -180.0000 Dihedral
 Serin (ser)

Atom Bond Bond Angle Angle (o) 2nd Angle 2nd 2nd Angle
Atom Length (A) Atom Atom o
Angle ( ) Type
1 C(4)
2 C(1) C(4) 1.5090
3 C(2) C(1) 1.5230 C(4) 109.4418
4 N(3) C(1) 1.4380 C(2) 109.5000 C(4) 109.4418 Pro-R
5 O(6) C(2) 1.4020 C(1) 109.5000 N(3) - Dihedral
180.0000
6 O(8) C(4) 1.3380 C(1) 120.0000 C(2) -0.0000 Dihedral
7 O(7) C(4) 1.2080 C(1) 120.0000 O(8) 120.0000 Pro-R
8 H(5) C(1) 1.1130 C(2) 109.4618 N(3) 109.4618 Pro-R
9 H(9) C(2) 1.1130 C(1) 109.4418 O(6) 109.4418 Pro-R
10 H(10) C(2) 1.1130 C(1) 109.4618 O(6) 109.4618 Pro-S
11 H(11) N(3) 1.0200 C(1) 109.4700 C(2) - Dihedral
180.0000
12 H(12) N(3) 1.0200 C(1) 109.4700 H(11) 104.5000 Pro-S
13 H(13) O(6) 0.9420 C(2) 106.9000 C(1) 180.0000 Dihedral
14 H(14) O(8) 0.9720 C(4) 106.1000 C(1) 180.0000 Dihedral
 Glutamin (gln)

Atom Bond Bond Angle Angle (o) 2nd 2nd 2nd

Atom Length Atom Angle Angle (o) Angle
(A) Atom Type
1 C(4)
2 C(1) C(4) 1.5090
3 C(2) C(1) 1.5230 C(4) 109.4418
4 N(3) C(1) 1.4380 C(2) 109.5000 C(4) 109.4418 Pro-S
5 C(6) C(2) 1.5230 C(1) 109.5000 N(3) 180.0000 Dihedral
6 C(7) C(6) 1.4970 C(2) 109.5000 C(1) 60.0000 Dihedral
7 C(9) C(7) 1.3370 C(6) 120.0000 C(2) -0.0000 Dihedral
8 C(8) C(7) 1.4970 C(6) 120.0000 C(9) 120.0000 Pro-R
9 O(11) C(4) 1.3380 C(1) 120.0000 C(2) -0.0000 Dihedral
10 O(10) C(4) 1.2080 C(1) 120.0000 O(11) 120.0000 Pro-R
11 H(21) C(9) 1.1000 C(7) 120.0000 C(6) 180.0000 Dihedral
12 H(22) C(9) 1.1000 C(7) 120.0000 H(21) 120.0000 Pro-S
13 H(5) C(1) 1.1130 C(2) 109.4618 N(3) 109.4618 Pro-S
14 H(12) C(2) 1.1130 C(1) 109.4418 C(6) 109.4418 Pro-S
15 H(13) C(2) 1.1130 C(1) 109.4618 C(6) 109.4618 Pro-R
16 H(16) C(6) 1.1130 C(2) 109.4418 C(7) 109.4418 Pro-S
17 H(17) C(6) 1.1130 C(2) 109.4618 C(7) 109.4618 Pro-R
18 H(14) N(3) 1.0200 C(1) 109.4700 C(2) 180.0000 Dihedral
19 H(15) N(3) 1.0200 C(1) 109.4700 H(14) 104.5000 Pro-S
20 H(18) C(8) 1.1130 C(7) 109.5000 C(6) 0.0000 Dihedral
21 H(19) C(8) 1.1130 C(7) 109.4418 H(18) 109.4418 Pro-S
22 H(20) C(8) 1.1130 C(7) 109.4618 H(18) 109.4618 Pro-R
23 H(23) O(11) 0.9720 C(4) 106.1000 C(1) 180.0000 Dihedral