#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gnn h SER 12 N 0.00 0.00 -1.62 1.67 0.87 -2.13 -3.32 113.55 109.02 2gnn h SER 12 Ca 0.00 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.83 2gnn h SER 12 Cb 0.00 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 61.67 2gnn h SER 12 CO 0.00 0.05 0.89 0.59 -0.53 0.00 0.00 176.83 177.83 2gnn n ASN 13 N -3.13 7.42 -4.29 6.23 3.02 -1.26 -4.95 115.26 118.31 2gnn n ASN 13 Ca 0.02 -3.82 -0.35 0.00 -0.03 0.00 0.00 54.58 50.40 2gnn n ASN 13 Cb 0.45 -1.00 -0.14 0.00 -0.61 0.00 0.00 39.78 38.49 2gnn n ASN 13 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2gnn s THR 14 N -5.01 3.43 -0.13 3.41 2.01 -1.25 -5.09 115.64 113.01 2gnn s THR 14 Ca 0.56 -0.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.63 2gnn s THR 14 Cb 0.46 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2gnn s THR 14 CO -0.27 0.27 0.82 -0.54 -0.69 0.00 0.00 174.62 174.22 2gnn s LYS 15 N 1.45 4.36 0.64 4.92 3.01 -1.26 -5.07 119.74 127.79 2gnn s LYS 15 Ca 0.03 1.04 -0.01 0.00 -1.01 0.00 0.00 55.97 56.02 2gnn s LYS 15 Cb -0.16 -3.53 0.07 0.00 -1.01 0.00 0.00 37.83 33.20 2gnn s LYS 15 CO -0.02 -0.22 0.90 0.20 0.51 0.00 0.00 175.35 176.73 2gnn s GLY 16 N 1.07 1.78 0.22 -3.33 0.00 -1.26 -4.85 107.32 100.94 2gnn s GLY 16 Ca 0.40 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.61 2gnn s GLY 16 CO 0.15 -0.96 1.60 -0.25 0.00 0.00 0.00 173.10 173.65 2gnn h TRP 17 N -0.29 -0.59 -0.49 1.90 -0.00 -1.99 -0.14 115.95 114.36 2gnn h TRP 17 Ca -0.41 0.07 -0.04 0.00 -0.00 0.00 0.00 58.89 58.51 2gnn h TRP 17 Cb 1.29 0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 30.80 2gnn h TRP 17 CO 0.16 -0.34 0.16 0.77 -0.00 0.00 0.00 178.44 179.19 2gnn h SER 18 N -0.05 0.70 -0.62 2.65 0.02 -1.99 -0.05 113.55 114.21 2gnn h SER 18 Ca 0.31 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2gnn h SER 18 Cb 0.54 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2gnn h SER 18 CO -0.74 0.71 0.11 -0.08 -1.14 0.00 0.00 176.83 175.70 2gnn h GLU 19 N 0.65 1.05 -0.08 3.45 4.81 -1.79 0.77 114.58 123.44 2gnn h GLU 19 Ca 0.16 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2gnn h GLU 19 Cb 0.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2gnn h GLU 19 CO -0.01 0.95 0.04 0.28 -0.73 0.00 0.00 179.01 179.54 2gnn h VAL 20 N 0.99 1.10 -0.24 0.32 2.07 -0.59 -0.83 116.25 119.07 2gnn h VAL 20 Ca 0.20 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2gnn h VAL 20 Cb 0.41 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2gnn h VAL 20 CO 0.01 0.09 0.11 -0.07 0.02 0.00 0.00 177.57 177.72 2gnn h LEU 21 N 0.01 0.15 -1.12 2.57 3.38 -0.79 -2.45 115.31 117.07 2gnn h LEU 21 Ca 0.03 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.11 2gnn h LEU 21 Cb 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 2gnn h LEU 21 CO -0.00 0.12 0.61 0.50 0.09 0.00 0.00 178.44 179.75 2gnn h LYS 22 N 0.23 0.92 0.00 1.13 3.64 -0.68 -1.34 116.57 120.47 2gnn h LYS 22 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2gnn h LYS 22 Cb 0.04 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2gnn h LYS 22 CO -0.08 0.61 0.00 0.41 -2.27 0.00 0.00 179.45 178.13 2gnn n GLY 23 N -1.38 -1.35 0.01 5.01 0.00 -0.33 -2.85 105.19 104.30 2gnn n GLY 23 Ca 0.17 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2gnn n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gnn n SER 24 N -1.68 0.59 -4.64 1.61 3.41 -0.51 -4.97 113.62 107.42 2gnn n SER 24 Ca 0.05 -0.31 -0.39 0.00 -0.26 0.00 0.00 58.87 57.96 2gnn n SER 24 Cb 0.29 0.40 0.04 0.00 -0.26 0.00 0.00 64.21 64.68 2gnn n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gnn n GLU 25 N -1.61 1.26 -2.22 4.33 1.02 -1.13 -1.41 120.64 120.88 2gnn n GLU 25 Ca 0.05 0.47 -0.43 0.00 -0.02 0.00 0.00 57.16 57.22 2gnn n GLU 25 Cb 0.36 -2.22 -0.02 0.00 -0.02 0.00 0.00 31.44 29.53 2gnn n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gnn s LYS 27 N 4.89 1.23 0.13 0.00 -2.85 -0.66 -4.79 119.74 117.69 2gnn s LYS 27 Ca 0.67 -0.59 -0.31 0.00 -1.00 0.00 0.00 55.97 54.75 2gnn s LYS 27 Cb -0.19 0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 35.97 2gnn s LYS 27 CO 0.30 -0.55 1.37 -2.14 0.10 0.00 0.00 175.35 174.43 2gnn s PRO 28 N -3.46 4.33 0.04 1.78 0.02 -1.26 -1.43 135.00 135.02 2gnn s PRO 28 Ca 0.08 2.07 0.05 0.00 0.02 0.00 0.00 61.00 63.22 2gnn s PRO 28 Cb -0.02 -3.24 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 2gnn s PRO 28 CO -0.03 -0.40 -0.15 1.03 -0.33 0.00 0.00 177.00 177.12 2gnn s ARG 29 N 0.86 1.04 0.09 5.54 0.52 0.29 -4.85 118.95 122.44 2gnn s ARG 29 Ca 0.63 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.76 2gnn s ARG 29 Cb -0.37 -1.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.97 2gnn s ARG 29 CO 0.32 0.27 1.18 -1.25 0.02 0.00 0.00 175.30 175.84 2gnn s PRO 30 N -1.08 4.46 0.02 3.54 0.04 -1.26 -0.85 135.00 139.87 2gnn s PRO 30 Ca 0.03 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2gnn s PRO 30 Cb -0.08 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 2gnn s PRO 30 CO 0.01 -0.19 -0.07 0.96 0.04 0.00 0.00 177.00 177.75 2gnn s ILE 31 N 0.75 0.55 -0.12 0.56 -5.25 -0.26 -4.95 121.20 112.49 2gnn s ILE 31 Ca 0.57 -0.69 -0.25 0.00 -0.99 0.00 0.00 60.65 59.29 2gnn s ILE 31 Cb -0.30 -0.54 -0.02 0.00 2.95 0.00 0.00 42.46 44.55 2gnn s ILE 31 CO 0.31 -0.11 0.80 -0.69 -1.79 0.00 0.00 174.94 173.46 2gnn s VAL 32 N -0.75 4.94 -0.10 8.37 1.01 -1.26 -1.54 120.40 131.07 2gnn s VAL 32 Ca -0.03 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2gnn s VAL 32 Cb -0.06 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2gnn s VAL 32 CO 0.00 0.12 -0.14 -0.69 0.00 0.00 0.00 175.10 174.38 2gnn s VAL 33 N 1.58 1.39 0.22 2.92 1.01 0.32 -4.96 120.40 122.89 2gnn s VAL 33 Ca 0.39 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2gnn s VAL 33 Cb -0.17 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 34.84 2gnn s VAL 33 CO 0.16 0.42 1.41 -2.84 0.00 0.00 0.00 175.10 174.24 2gnn s PRO 34 N 0.91 4.30 0.26 2.72 0.02 -1.26 -1.03 135.00 140.91 2gnn s PRO 34 Ca -0.09 2.22 -0.05 0.00 0.02 0.00 0.00 61.00 63.10 2gnn s PRO 34 Cb -0.15 -3.14 0.29 0.00 0.02 0.00 0.00 34.50 31.52 2gnn s PRO 34 CO 0.00 -0.38 1.93 0.28 -0.33 0.00 0.00 177.00 178.50 2gnn h VAL 35 N 3.66 1.25 0.00 3.83 2.07 -1.54 -2.69 116.25 122.83 2gnn h VAL 35 Ca -0.45 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2gnn h VAL 35 Cb 1.22 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2gnn h VAL 35 CO 0.79 0.25 -0.07 0.77 0.02 0.00 0.00 177.57 179.32 2gnn h SER 36 N 1.31 0.00 -0.63 0.57 4.64 -1.86 -1.37 113.55 116.20 2gnn h SER 36 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2gnn h SER 36 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2gnn h SER 36 CO -0.07 0.07 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 2gnn n GLU 37 N -3.51 4.17 -0.03 4.77 0.28 -1.02 -4.25 120.64 121.06 2gnn n GLU 37 Ca -0.02 -3.00 -0.06 0.00 -0.16 0.00 0.00 57.16 53.92 2gnn n GLU 37 Cb 0.20 -2.03 -0.02 0.00 1.43 0.00 0.00 31.44 31.01 2gnn n GLU 37 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2gnn n THR 38 N 0.97 0.33 -3.56 3.84 -2.24 -0.58 -4.88 114.28 108.17 2gnn n THR 38 Ca 0.27 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.55 2gnn n THR 38 Cb 1.01 -1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.93 2gnn n THR 38 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2gnn s HIS 39 N -2.11 3.83 -2.00 4.78 3.76 -0.82 -4.91 115.29 117.81 2gnn s HIS 39 Ca -0.08 -2.74 0.07 0.00 -0.15 0.00 0.00 55.06 52.16 2gnn s HIS 39 Cb 0.03 -3.43 0.39 0.00 1.11 0.00 0.00 32.58 30.68 2gnn s HIS 39 CO 0.12 -0.84 1.09 -2.30 -0.85 0.00 0.00 174.74 171.96 2gnn n PRO 40 N 2.92 0.81 0.00 8.40 -0.02 -1.26 -2.46 135.00 143.39 2gnn n PRO 40 Ca 0.18 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2gnn n PRO 40 Cb 0.39 -1.13 0.07 0.00 -0.02 0.00 0.00 33.50 32.82 2gnn n PRO 40 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2gnn n GLU 41 N -0.63 0.69 -0.51 -0.52 0.00 -1.26 -4.37 120.64 114.05 2gnn n GLU 41 Ca 0.05 -0.53 0.05 0.00 0.00 0.00 0.00 57.16 56.73 2gnn n GLU 41 Cb 0.02 -1.49 0.09 0.00 0.00 0.00 0.00 31.44 30.06 2gnn n GLU 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2gnn n LEU 42 N -0.69 1.43 0.01 -1.84 4.77 -1.03 -4.79 117.00 114.85 2gnn n LEU 42 Ca 0.08 -2.37 0.04 0.00 -0.03 0.00 0.00 56.01 53.73 2gnn n LEU 42 Cb 0.39 -0.24 0.18 0.00 -2.33 0.00 0.00 43.42 41.42 2gnn n LEU 42 CO 0.32 0.64 0.63 0.41 -1.33 0.00 0.00 177.39 178.06 2gnn n THR 43 N -0.63 1.45 1.27 -5.08 -1.04 -1.25 -1.57 114.28 107.44 2gnn n THR 43 Ca 0.10 0.37 0.02 0.00 -2.04 0.00 0.00 64.05 62.50 2gnn n THR 43 Cb 0.74 -1.24 0.12 0.00 -1.82 0.00 0.00 70.33 68.12 2gnn n THR 43 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2gnn n SER 44 N -1.53 0.00 -3.93 8.00 7.64 -1.26 -4.76 113.62 117.78 2gnn n SER 44 Ca 0.02 -1.15 -0.11 0.00 1.01 0.00 0.00 58.87 58.64 2gnn n SER 44 Cb 0.09 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.17 2gnn n SER 44 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2gnn s GLN 45 N -2.00 0.17 0.02 1.43 0.74 -0.61 -5.16 119.66 114.25 2gnn s GLN 45 Ca 0.06 -0.31 -0.03 0.00 0.05 0.00 0.00 55.36 55.13 2gnn s GLN 45 Cb 0.03 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 2gnn s GLN 45 CO 0.05 -0.02 0.22 1.03 -0.55 0.00 0.00 175.29 176.02 2gnn s ARG 46 N -0.72 3.48 -0.01 1.67 0.52 -1.26 -4.97 118.95 117.67 2gnn s ARG 46 Ca -0.08 -0.27 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 2gnn s ARG 46 Cb -0.05 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 2gnn s ARG 46 CO -0.00 0.64 -0.23 -0.06 0.02 0.00 0.00 175.30 175.67 2gnn s PHE 47 N -1.38 2.06 -0.34 -0.53 0.08 -1.26 -4.66 117.98 111.96 2gnn s PHE 47 Ca 0.30 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 2gnn s PHE 47 Cb -0.13 -1.31 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 2gnn s PHE 47 CO 0.20 -0.01 0.11 1.21 -0.10 0.00 0.00 175.22 176.63 2gnn s ASN 48 N -0.67 5.29 0.52 1.36 3.84 -0.26 -0.81 114.94 124.22 2gnn s ASN 48 Ca 0.09 -1.21 -0.18 0.00 0.21 0.00 0.00 52.86 51.77 2gnn s ASN 48 Cb -0.09 -1.86 -0.07 0.00 -0.55 0.00 0.00 41.25 38.68 2gnn s ASN 48 CO -0.00 -0.34 1.01 -2.16 -2.79 0.00 0.00 177.10 172.81 2gnn s PRO 49 N 1.38 3.79 0.00 0.43 0.04 -1.26 -0.92 135.00 138.46 2gnn s PRO 49 Ca -0.01 1.12 0.23 0.00 0.04 0.00 0.00 61.00 62.38 2gnn s PRO 49 Cb -0.20 -2.11 1.34 0.00 0.04 0.00 0.00 34.50 33.57 2gnn s PRO 49 CO 0.02 -0.41 1.74 -0.35 0.04 0.00 0.00 177.00 178.04 2gnn n PRO 50 N -1.45 0.66 -3.85 0.56 -0.04 0.01 -4.82 135.00 126.07 2gnn n PRO 50 Ca 0.08 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 2gnn n PRO 50 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2gnn n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gnn s VAL 52 N -3.93 0.42 -0.19 0.00 -7.23 -0.20 -4.90 120.40 104.37 2gnn s VAL 52 Ca 0.14 -1.59 -0.20 0.00 -1.81 0.00 0.00 61.98 58.51 2gnn s VAL 52 Cb -0.03 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 2gnn s VAL 52 CO 0.04 -0.78 0.60 -0.89 -0.31 0.00 0.00 175.10 173.77 2gnn s THR 53 N -3.01 5.04 -0.02 5.32 2.01 -1.26 -0.52 115.64 123.20 2gnn s THR 53 Ca 0.02 1.13 0.07 0.00 0.31 0.00 0.00 61.69 63.23 2gnn s THR 53 Cb 0.01 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2gnn s THR 53 CO -0.05 0.13 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.01 2gnn s LEU 54 N 1.81 2.16 -0.06 4.42 1.43 -0.59 -4.91 118.68 122.94 2gnn s LEU 54 Ca 0.28 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 2gnn s LEU 54 Cb -0.16 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 2gnn s LEU 54 CO 0.10 0.32 1.19 -0.04 0.23 0.00 0.00 176.35 178.15 2gnn s MET 55 N -0.66 4.35 0.02 1.70 -1.94 -1.26 -1.11 119.30 120.40 2gnn s MET 55 Ca 0.10 1.65 -0.01 0.00 -1.71 0.00 0.00 55.69 55.72 2gnn s MET 55 Cb -0.10 -3.56 -0.02 0.00 2.01 0.00 0.00 34.83 33.16 2gnn s MET 55 CO -0.01 -0.45 0.00 1.03 -0.01 0.00 0.00 175.02 175.59 2gnn s ARG 56 N 2.25 0.37 0.23 2.03 1.81 -0.03 -1.40 118.95 124.21 2gnn s ARG 56 Ca 0.55 -0.62 -0.30 0.00 -1.72 0.00 0.00 55.73 53.64 2gnn s ARG 56 Cb -0.24 0.14 -0.09 0.00 -0.45 0.00 0.00 34.95 34.31 2gnn s ARG 56 CO 0.21 -0.07 1.16 0.00 -0.68 0.00 0.00 175.30 175.92 2gnn n GLY 58 N 1.72 0.75 0.00 0.00 0.00 -0.52 -4.86 105.19 102.28 2gnn n GLY 58 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2gnn n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gnn n GLY 59 N -0.53 -0.27 2.97 -0.02 0.00 -1.26 -1.65 105.19 104.43 2gnn n GLY 59 Ca -0.01 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 2gnn n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gnn h ASN 62 N 1.00 0.00 -3.38 0.00 -0.73 -1.99 -3.42 115.58 107.06 2gnn h ASN 62 Ca -0.48 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.19 2gnn h ASN 62 Cb 1.20 0.00 -0.34 0.00 0.27 0.00 0.00 38.32 39.45 2gnn h ASN 62 CO 0.63 0.06 -0.80 -0.62 -0.37 0.00 0.00 177.43 176.33 2gnn s ASP 63 N -6.39 1.71 0.65 1.15 -1.08 -1.26 -5.02 116.67 106.43 2gnn s ASP 63 Ca -0.04 -0.27 0.43 0.00 -0.52 0.00 0.00 52.55 52.15 2gnn s ASP 63 Cb 0.15 -0.76 2.30 0.00 -1.46 0.00 0.00 42.92 43.15 2gnn s ASP 63 CO 0.59 -0.01 2.33 1.05 0.52 0.00 0.00 175.17 179.65 2gnn h GLU 64 N 7.25 0.00 -0.00 4.34 9.09 -2.04 -1.64 114.58 131.58 2gnn h GLU 64 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.09 2gnn h GLU 64 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2gnn h GLU 64 CO 0.46 0.00 -0.00 -1.13 0.05 0.00 0.00 179.01 178.39 2gnn n SER 65 N -3.10 0.00 -4.77 3.06 3.41 -1.26 -4.81 113.62 106.16 2gnn n SER 65 Ca -0.03 -0.18 -0.27 0.00 -0.26 0.00 0.00 58.87 58.13 2gnn n SER 65 Cb 0.10 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 2gnn n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2gnn s LEU 66 N -2.55 3.70 0.02 1.04 1.43 -0.62 -1.51 118.68 120.19 2gnn s LEU 66 Ca 0.29 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2gnn s LEU 66 Cb 0.20 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2gnn s LEU 66 CO 0.46 0.09 -0.14 -0.70 0.23 0.00 0.00 176.35 176.28 2gnn s GLU 67 N -2.96 1.03 -0.51 1.70 2.12 -0.03 -4.79 118.70 115.26 2gnn s GLU 67 Ca 0.30 -0.65 -0.26 0.00 0.36 0.00 0.00 54.97 54.71 2gnn s GLU 67 Cb -0.10 -1.02 0.03 0.00 0.26 0.00 0.00 34.13 33.29 2gnn s GLU 67 CO 0.22 0.27 1.03 0.00 -0.54 0.00 0.00 175.26 176.24 2gnn s VAL 69 N 4.22 1.80 0.14 0.00 -7.23 -0.22 -4.74 120.40 114.36 2gnn s VAL 69 Ca 0.39 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 2gnn s VAL 69 Cb -0.09 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 34.98 2gnn s VAL 69 CO 0.26 -0.28 1.08 -2.16 -0.31 0.00 0.00 175.10 173.68 2gnn s PRO 70 N -2.67 4.60 -0.00 4.82 0.04 -1.26 -1.09 135.00 139.43 2gnn s PRO 70 Ca 0.14 1.66 0.10 0.00 0.04 0.00 0.00 61.00 62.94 2gnn s PRO 70 Cb -0.06 -3.31 -0.11 0.00 0.04 0.00 0.00 34.50 31.05 2gnn s PRO 70 CO 0.06 0.06 0.43 0.25 0.04 0.00 0.00 177.00 177.84 2gnn n THR 71 N 2.70 0.00 -3.86 1.26 -2.24 -0.09 -4.91 114.28 107.14 2gnn n THR 71 Ca 0.03 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 2gnn n THR 71 Cb 0.47 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.53 2gnn n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2gnn s GLU 72 N -1.99 0.05 -0.01 -0.78 2.12 -1.15 -4.94 118.70 111.99 2gnn s GLU 72 Ca 0.04 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.43 2gnn s GLU 72 Cb 0.08 -0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.31 2gnn s GLU 72 CO 0.42 -0.06 -0.02 -1.21 -0.54 0.00 0.00 175.26 173.84 2gnn s GLU 73 N 0.46 0.31 0.06 4.30 2.02 -1.26 -1.05 118.70 123.54 2gnn s GLU 73 Ca -0.04 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 54.89 2gnn s GLU 73 Cb -0.06 -0.35 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 2gnn s GLU 73 CO -0.01 0.01 -0.05 0.14 0.02 0.00 0.00 175.26 175.36 2gnn s VAL 74 N 0.27 0.44 0.28 2.63 -7.23 -0.40 -4.96 120.40 111.42 2gnn s VAL 74 Ca -0.03 -1.53 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 2gnn s VAL 74 Cb -0.05 -1.14 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 2gnn s VAL 74 CO -0.01 -0.73 0.86 0.20 -0.31 0.00 0.00 175.10 175.12 2gnn s ASN 75 N -2.39 7.27 -0.05 4.85 0.01 -1.26 -0.37 114.94 123.00 2gnn s ASN 75 Ca 0.01 1.70 0.03 0.00 -0.71 0.00 0.00 52.86 53.89 2gnn s ASN 75 Cb -0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2gnn s ASN 75 CO -0.04 -0.00 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.71 2gnn s VAL 76 N -1.53 1.25 -0.04 1.60 1.01 -0.00 -4.90 120.40 117.79 2gnn s VAL 76 Ca 0.46 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2gnn s VAL 76 Cb -0.19 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2gnn s VAL 76 CO 0.23 0.37 0.10 -0.89 0.00 0.00 0.00 175.10 174.91 2gnn s THR 77 N 0.22 4.92 -0.00 3.92 2.01 -1.26 -0.69 115.64 124.75 2gnn s THR 77 Ca -0.07 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2gnn s THR 77 Cb -0.12 -3.21 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 2gnn s THR 77 CO 0.02 0.44 -0.02 -0.04 -0.69 0.00 0.00 174.62 174.33 2gnn s MET 78 N -1.50 0.18 0.12 4.92 -1.94 -0.00 -4.98 119.30 116.11 2gnn s MET 78 Ca 0.21 -0.08 -0.30 0.00 -1.71 0.00 0.00 55.69 53.81 2gnn s MET 78 Cb -0.12 -0.18 -0.06 0.00 2.01 0.00 0.00 34.83 36.48 2gnn s MET 78 CO 0.11 0.04 0.97 -1.21 -0.01 0.00 0.00 175.02 174.93 2gnn s GLU 79 N -0.03 4.70 0.00 2.03 2.02 -1.26 -1.03 118.70 125.13 2gnn s GLU 79 Ca 0.01 1.48 -0.02 0.00 0.02 0.00 0.00 54.97 56.46 2gnn s GLU 79 Cb -0.01 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 2gnn s GLU 79 CO -0.00 0.21 0.03 -0.51 0.02 0.00 0.00 175.26 175.01 2gnn s LEU 80 N -0.08 1.94 0.01 1.80 1.02 0.35 -4.94 118.68 118.77 2gnn s LEU 80 Ca 0.47 -0.19 -0.30 0.00 0.02 0.00 0.00 54.13 54.13 2gnn s LEU 80 Cb -0.24 0.22 -0.03 0.00 0.02 0.00 0.00 46.19 46.16 2gnn s LEU 80 CO 0.30 -0.19 1.03 -0.76 0.02 0.00 0.00 176.35 176.76 2gnn s LEU 81 N -0.80 4.36 0.00 1.79 1.43 -0.09 -0.53 118.68 124.83 2gnn s LEU 81 Ca -0.09 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 2gnn s LEU 81 Cb -0.05 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2gnn s LEU 81 CO -0.00 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.87 2gnn n GLY 82 N 2.99 1.77 0.00 -3.19 0.00 -1.26 -1.10 105.19 104.40 2gnn n GLY 82 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2gnn n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gnn n GLY 90 N 2.59 -2.05 3.74 -0.02 0.00 -1.26 -4.98 105.19 103.21 2gnn n GLY 90 Ca 0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2gnn n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gnn s MET 91 N 0.00 4.49 0.01 1.61 1.75 -1.26 -5.01 119.30 120.88 2gnn s MET 91 Ca 0.00 1.88 0.06 0.00 -1.25 0.00 0.00 55.69 56.38 2gnn s MET 91 Cb 0.00 -3.24 -0.02 0.00 2.84 0.00 0.00 34.83 34.42 2gnn s MET 91 CO 0.00 -0.09 -0.18 -0.65 -0.65 0.00 0.00 175.02 173.46 2gnn s GLN 92 N -0.27 1.33 -0.22 4.11 -0.21 0.30 -4.94 119.66 119.75 2gnn s GLN 92 Ca 0.53 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 55.02 2gnn s GLN 92 Cb -0.33 -1.33 -0.03 0.00 1.00 0.00 0.00 33.01 32.32 2gnn s GLN 92 CO 0.37 0.35 0.48 1.03 -2.12 0.00 0.00 175.29 175.40 2gnn s ARG 93 N -0.68 4.14 0.02 2.91 0.52 -1.26 -0.50 118.95 124.11 2gnn s ARG 93 Ca 0.06 0.32 0.07 0.00 -0.52 0.00 0.00 55.73 55.66 2gnn s ARG 93 Cb -0.07 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 2gnn s ARG 93 CO 0.00 -0.18 -0.20 -0.51 0.02 0.00 0.00 175.30 174.43 2gnn s LEU 94 N 1.76 2.51 -0.03 2.53 1.43 -0.19 -4.94 118.68 121.75 2gnn s LEU 94 Ca 0.22 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2gnn s LEU 94 Cb -0.15 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2gnn s LEU 94 CO 0.09 0.28 0.04 -0.55 0.23 0.00 0.00 176.35 176.44 2gnn s SER 95 N -1.21 5.43 0.08 2.29 0.15 -1.26 -0.82 113.70 118.35 2gnn s SER 95 Ca 0.13 0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.91 2gnn s SER 95 Cb -0.10 -1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 2gnn s SER 95 CO 0.03 0.31 -0.06 -0.36 1.20 0.00 0.00 173.24 174.37 2gnn s PHE 96 N -1.07 0.76 -0.20 3.44 0.08 0.13 -4.97 117.98 116.15 2gnn s PHE 96 Ca 0.19 -0.89 -0.09 0.00 0.12 0.00 0.00 56.93 56.26 2gnn s PHE 96 Cb -0.12 -0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 2gnn s PHE 96 CO 0.09 -0.19 0.12 0.08 -0.10 0.00 0.00 175.22 175.21 2gnn s VAL 97 N -3.34 5.24 0.17 -0.44 1.01 -1.26 -0.82 120.40 120.96 2gnn s VAL 97 Ca 0.07 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.27 2gnn s VAL 97 Cb 0.03 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2gnn s VAL 97 CO -0.05 0.43 -0.11 -1.61 0.00 0.00 0.00 175.10 173.77 2gnn s GLU 98 N 0.46 2.03 -0.23 2.72 2.02 0.50 -4.85 118.70 121.34 2gnn s GLU 98 Ca 0.07 -1.25 -0.11 0.00 0.02 0.00 0.00 54.97 53.70 2gnn s GLU 98 Cb -0.12 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.90 2gnn s GLU 98 CO -0.01 0.44 0.16 -1.01 0.02 0.00 0.00 175.26 174.87 2gnn s HIS 99 N -1.62 3.33 -0.53 1.61 3.76 -0.49 -1.28 115.29 120.06 2gnn s HIS 99 Ca 0.24 0.26 0.14 0.00 -0.15 0.00 0.00 55.06 55.55 2gnn s HIS 99 Cb -0.09 -2.26 -0.17 0.00 1.11 0.00 0.00 32.58 31.17 2gnn s HIS 99 CO 0.15 0.10 0.54 1.63 -0.85 0.00 0.00 174.74 176.31 2gnn n LYS 100 N 4.17 1.89 -3.67 1.40 5.02 -0.21 -4.56 118.16 122.20 2gnn n LYS 100 Ca -0.15 -0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 55.96 2gnn n LYS 100 Cb 0.52 -1.21 -0.08 0.00 -0.02 0.00 0.00 35.03 34.24 2gnn n LYS 100 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2gnn s LYS 101 N -2.49 0.79 0.15 1.97 2.20 -1.23 -4.87 119.74 116.26 2gnn s LYS 101 Ca 0.03 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2gnn s LYS 101 Cb 0.10 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 2gnn s LYS 101 CO 0.59 -0.22 0.00 0.00 -0.36 0.00 0.00 175.35 175.36 2gnn s ASP 103 N -3.12 -0.58 -0.37 0.00 2.15 -0.25 -4.79 116.67 109.71 2gnn s ASP 103 Ca 0.22 0.74 -0.29 0.00 0.43 0.00 0.00 52.55 53.65 2gnn s ASP 103 Cb 0.06 0.68 0.02 0.00 -0.30 0.00 0.00 42.92 43.38 2gnn s ASP 103 CO 0.02 -0.49 1.09 0.00 -0.17 0.00 0.00 175.17 175.62 2gnn s ARG 105 N 3.88 1.43 0.24 0.00 1.81 -0.37 -4.83 118.95 121.11 2gnn s ARG 105 Ca 0.46 -1.36 -0.29 0.00 -1.72 0.00 0.00 55.73 52.82 2gnn s ARG 105 Cb -0.11 -1.91 -0.15 0.00 -0.45 0.00 0.00 34.95 32.33 2gnn s ARG 105 CO 0.20 0.45 0.93 -2.30 -0.68 0.00 0.00 175.30 173.90 2gnn n PRO 106 N 0.85 0.98 -2.03 3.54 -0.02 -1.26 -0.85 135.00 136.21 2gnn n PRO 106 Ca -0.17 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.24 2gnn n PRO 106 Cb 0.53 -1.66 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 2gnn n PRO 106 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2gnn s ARG 107 N -1.15 4.28 0.07 -0.52 0.52 -0.57 -4.75 118.95 116.83 2gnn s ARG 107 Ca 0.64 2.30 -0.30 0.00 -0.52 0.00 0.00 55.73 57.84 2gnn s ARG 107 Cb -0.80 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.54 2gnn s ARG 107 CO 0.57 -0.35 1.11 0.12 0.02 0.00 0.00 175.30 176.77 2gnn s PHE 108 N -0.49 3.55 0.00 -0.53 5.36 -1.26 -5.07 117.98 119.53 2gnn s PHE 108 Ca 0.55 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 58.01 2gnn s PHE 108 Cb -0.42 -3.29 0.00 0.00 -0.34 0.00 0.00 43.02 38.97 2gnn s PHE 108 CO 0.48 -0.73 0.46 2.41 -1.46 0.00 0.00 175.22 176.38