#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gav h THR 3 N 0.00 1.47 -2.10 0.00 2.02 -2.10 -3.40 112.91 108.80 1gav h THR 3 Ca 0.00 -3.20 -0.69 0.00 0.77 0.00 0.00 66.41 63.29 1gav h THR 3 Cb 0.00 2.75 -0.16 0.00 -1.74 0.00 0.00 68.15 69.00 1gav h THR 3 CO 0.00 0.85 1.13 -0.22 0.37 0.00 0.00 175.52 177.65 1gav s LEU 4 N -6.61 4.80 0.12 2.58 2.96 -1.26 -4.93 118.68 116.34 1gav s LEU 4 Ca -0.01 -2.25 -0.05 0.00 -0.22 0.00 0.00 54.13 51.61 1gav s LEU 4 Cb 0.09 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 1gav s LEU 4 CO 0.83 -1.04 0.13 0.00 -1.32 0.00 0.00 176.35 174.95 1gav s ARG 5 N 2.76 0.91 0.61 1.98 1.70 -1.26 -4.95 118.95 120.69 1gav s ARG 5 Ca 0.38 -1.23 -0.15 0.00 -0.47 0.00 0.00 55.73 54.26 1gav s ARG 5 Cb -0.03 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1gav s ARG 5 CO -0.06 -0.28 1.05 -1.54 -1.08 0.00 0.00 175.30 173.40 1gav s SER 6 N -2.96 5.76 0.19 -2.89 1.04 -1.26 -4.68 113.70 108.90 1gav s SER 6 Ca 0.15 1.78 -0.14 0.00 0.48 0.00 0.00 55.95 58.21 1gav s SER 6 Cb 0.06 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.67 1gav s SER 6 CO -0.04 -1.18 0.45 0.72 0.98 0.00 0.00 173.24 174.17 1gav s PHE 7 N -2.55 0.08 -0.35 5.02 -0.71 -0.90 -4.99 117.98 113.58 1gav s PHE 7 Ca 0.63 -0.43 -0.24 0.00 -1.04 0.00 0.00 56.93 55.84 1gav s PHE 7 Cb -0.15 0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.91 1gav s PHE 7 CO 0.39 -0.87 0.83 0.08 -1.34 0.00 0.00 175.22 174.31 1gav s VAL 8 N -3.91 4.70 0.01 -2.49 1.01 -1.26 -1.47 120.40 116.99 1gav s VAL 8 Ca 0.13 1.04 0.06 0.00 0.00 0.00 0.00 61.98 63.20 1gav s VAL 8 Cb 0.00 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 1gav s VAL 8 CO -0.01 -0.43 0.88 0.25 0.00 0.00 0.00 175.10 175.79 1gav h LEU 9 N 9.78 0.13 -7.73 3.92 5.85 -1.13 -3.43 115.31 122.70 1gav h LEU 9 Ca -0.24 -0.19 -0.63 0.00 0.84 0.00 0.00 57.88 57.65 1gav h LEU 9 Cb 1.09 -0.04 -0.38 0.00 0.37 0.00 0.00 40.66 41.70 1gav h LEU 9 CO 0.93 1.16 -0.79 -0.69 -0.34 0.00 0.00 178.44 178.71 1gav s VAL 10 N -2.63 1.77 -0.63 1.05 1.01 -0.75 -4.99 120.40 115.22 1gav s VAL 10 Ca -0.05 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.35 1gav s VAL 10 Cb 0.08 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1gav s VAL 10 CO 0.83 -0.06 0.89 -0.62 0.00 0.00 0.00 175.10 176.14 1gav s ASP 11 N 1.29 6.19 -0.42 3.32 -1.08 -1.26 -1.74 116.67 122.96 1gav s ASP 11 Ca -0.07 -1.02 0.05 0.00 -0.52 0.00 0.00 52.55 50.99 1gav s ASP 11 Cb -0.19 -2.39 0.68 0.00 -1.46 0.00 0.00 42.92 39.56 1gav s ASP 11 CO -0.06 -1.33 1.89 0.59 0.52 0.00 0.00 175.17 176.77 1gav n ASN 12 N 7.34 3.95 -2.77 -0.34 3.02 -1.26 -4.90 115.26 120.31 1gav n ASN 12 Ca -0.05 -3.53 -0.12 0.00 -0.03 0.00 0.00 54.58 50.85 1gav n ASN 12 Cb 0.45 -0.81 0.06 0.00 -0.61 0.00 0.00 39.78 38.86 1gav n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gav n GLY 13 N -0.94 -0.32 5.00 7.41 0.00 -1.26 -4.01 105.19 111.08 1gav n GLY 13 Ca 0.55 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1gav n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gav n GLY 14 N -1.18 1.47 0.00 -0.02 0.00 -1.26 -4.80 105.19 99.40 1gav n GLY 14 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1gav n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gav n THR 15 N 0.00 0.00 -1.42 2.61 -2.24 -1.26 -3.87 114.28 108.10 1gav n THR 15 Ca 0.00 1.02 -0.31 0.00 -2.27 0.00 0.00 64.05 62.49 1gav n THR 15 Cb 0.00 -1.88 0.04 0.00 -2.10 0.00 0.00 70.33 66.38 1gav n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gav n GLY 16 N -0.65 5.17 3.76 3.38 0.00 -1.26 -4.99 105.19 110.60 1gav n GLY 16 Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1gav n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gav s ASN 17 N -0.86 6.57 -0.35 1.61 -0.87 -1.25 -4.59 114.94 115.20 1gav s ASN 17 Ca 0.54 2.82 -0.09 0.00 -1.57 0.00 0.00 52.86 54.55 1gav s ASN 17 Cb 0.42 -2.65 0.02 0.00 -0.02 0.00 0.00 41.25 39.03 1gav s ASN 17 CO -0.15 -0.72 0.17 -0.69 -2.57 0.00 0.00 177.10 173.13 1gav s VAL 18 N -0.70 4.35 0.06 1.60 1.01 -0.71 -4.99 120.40 121.02 1gav s VAL 18 Ca 0.54 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1gav s VAL 18 Cb -0.43 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1gav s VAL 18 CO 0.53 -0.16 0.18 -0.89 0.00 0.00 0.00 175.10 174.76 1gav s THR 19 N 1.52 5.23 -0.03 3.92 2.01 -1.26 -0.49 115.64 126.54 1gav s THR 19 Ca 0.02 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1gav s THR 19 Cb -0.19 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1gav s THR 19 CO 0.05 0.15 -0.17 0.54 -0.69 0.00 0.00 174.62 174.51 1gav s VAL 20 N -1.47 1.41 0.28 3.82 0.11 -0.54 -4.39 120.40 119.62 1gav s VAL 20 Ca 0.33 -0.72 0.10 0.00 -2.93 0.00 0.00 61.98 58.76 1gav s VAL 20 Cb -0.13 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 1gav s VAL 20 CO 0.26 0.41 -0.02 0.68 -3.33 0.00 0.00 175.10 173.09 1gav s VAL 21 N -0.09 3.24 0.39 2.04 -7.23 0.79 -2.12 120.40 117.43 1gav s VAL 21 Ca -0.01 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 57.93 1gav s VAL 21 Cb -0.10 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 33.98 1gav s VAL 21 CO 0.01 -0.36 1.13 -2.84 -0.31 0.00 0.00 175.10 172.73 1gav s PRO 22 N -3.66 4.14 0.00 4.82 0.02 -1.26 0.42 135.00 139.48 1gav s PRO 22 Ca 0.32 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1gav s PRO 22 Cb -0.06 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1gav s PRO 22 CO 0.19 -0.22 0.00 0.28 -0.33 0.00 0.00 177.00 176.93 1gav n VAL 23 N 0.15 0.00 -4.09 3.83 0.31 0.26 -4.82 118.33 113.97 1gav n VAL 23 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1gav n VAL 23 Cb 0.47 -0.18 -0.07 0.00 -0.91 0.00 0.00 33.84 33.15 1gav n VAL 23 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1gav s SER 24 N -2.45 0.16 0.00 4.52 1.04 -1.21 -5.02 113.70 110.73 1gav s SER 24 Ca 0.00 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.32 1gav s SER 24 Cb 0.00 0.52 0.13 0.00 0.10 0.00 0.00 66.02 66.77 1gav s SER 24 CO 0.00 -1.05 0.95 -3.20 0.98 0.00 0.00 173.24 170.92 1gav n ASN 25 N -0.49 0.06 -4.77 7.02 5.15 -1.26 -2.36 115.26 118.60 1gav n ASN 25 Ca 0.00 -1.80 -0.41 0.00 -0.60 0.00 0.00 54.58 51.78 1gav n ASN 25 Cb 0.63 -0.07 0.01 0.00 -0.53 0.00 0.00 39.78 39.83 1gav n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gav n ALA 26 N 0.15 2.28 -2.46 5.20 0.00 -1.25 -3.00 120.51 121.44 1gav n ALA 26 Ca -0.05 0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 1gav n ALA 26 Cb 0.80 -2.42 -0.00 0.00 0.00 0.00 0.00 19.45 17.83 1gav n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gav n ASN 27 N 0.17 -1.70 -1.56 0.00 3.02 -1.26 -0.30 115.26 113.62 1gav n ASN 27 Ca 0.03 0.42 -0.10 0.00 -0.03 0.00 0.00 54.58 54.90 1gav n ASN 27 Cb 0.40 -1.57 0.02 0.00 -0.61 0.00 0.00 39.78 38.02 1gav n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gav n GLY 28 N -0.57 0.25 2.96 7.41 0.00 -1.16 -4.99 105.19 109.09 1gav n GLY 28 Ca -0.04 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1gav n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gav s VAL 29 N -2.94 2.00 0.30 1.61 1.01 0.59 -4.41 120.40 118.56 1gav s VAL 29 Ca 0.18 -2.18 -0.29 0.00 0.00 0.00 0.00 61.98 59.69 1gav s VAL 29 Cb -0.08 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 1gav s VAL 29 CO 0.22 -0.62 1.28 0.00 0.00 0.00 0.00 175.10 175.98 1gav s ALA 30 N 1.02 3.49 -0.08 5.51 0.00 -0.26 -3.82 121.76 127.62 1gav s ALA 30 Ca 0.11 1.18 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 1gav s ALA 30 Cb -0.19 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1gav s ALA 30 CO -0.11 -0.55 -0.06 -2.00 0.00 0.00 0.00 175.76 173.04 1gav s GLU 31 N -1.43 1.18 -0.09 0.00 2.12 -1.00 -1.81 118.70 117.68 1gav s GLU 31 Ca 0.50 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1gav s GLU 31 Cb -0.38 -1.27 -0.02 0.00 0.26 0.00 0.00 34.13 32.72 1gav s GLU 31 CO 0.48 -0.21 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.28 1gav s TRP 32 N 1.51 2.75 0.03 5.30 0.51 0.10 -0.58 118.94 128.57 1gav s TRP 32 Ca -0.00 -0.38 0.06 0.00 -2.12 0.00 0.00 56.10 53.66 1gav s TRP 32 Cb -0.13 -1.73 -0.02 0.00 -0.81 0.00 0.00 33.47 30.78 1gav s TRP 32 CO -0.04 0.00 -0.19 -1.17 -0.51 0.00 0.00 176.95 175.04 1gav s LEU 33 N -0.23 2.13 0.00 2.99 0.20 0.17 -1.18 118.68 122.76 1gav s LEU 33 Ca 0.01 -0.45 -0.11 0.00 0.69 0.00 0.00 54.13 54.27 1gav s LEU 33 Cb -0.13 -0.90 0.15 0.00 -0.43 0.00 0.00 46.19 44.87 1gav s LEU 33 CO 0.03 0.16 0.87 -1.54 -0.29 0.00 0.00 176.35 175.58 1gav n SER 34 N 2.10 0.09 -4.29 3.68 3.41 -0.48 -0.15 113.62 117.98 1gav n SER 34 Ca -0.17 -1.33 -0.44 0.00 -0.26 0.00 0.00 58.87 56.67 1gav n SER 34 Cb 0.54 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1gav n SER 34 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gav n ASN 35 N -3.55 5.31 -3.02 4.04 2.85 -1.26 -4.80 115.26 114.83 1gav n ASN 35 Ca 0.11 -3.04 -0.11 0.00 -0.11 0.00 0.00 54.58 51.43 1gav n ASN 35 Cb 0.38 -1.51 -0.00 0.00 1.24 0.00 0.00 39.78 39.89 1gav n ASN 35 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1gav s ASN 36 N 1.92 0.43 0.43 1.20 0.01 -1.26 -5.05 114.94 112.62 1gav s ASN 36 Ca 0.40 -1.31 -0.24 0.00 -0.71 0.00 0.00 52.86 50.99 1gav s ASN 36 Cb -0.01 0.78 -0.08 0.00 0.41 0.00 0.00 41.25 42.35 1gav s ASN 36 CO -0.00 -1.54 1.14 -0.94 -1.51 0.00 0.00 177.10 174.25 1gav s SER 37 N -3.15 6.42 0.54 -1.22 1.04 -1.26 -4.69 113.70 111.38 1gav s SER 37 Ca 0.22 2.26 0.35 0.00 0.48 0.00 0.00 55.95 59.26 1gav s SER 37 Cb -0.03 -2.60 1.53 0.00 0.10 0.00 0.00 66.02 65.01 1gav s SER 37 CO 0.16 -0.74 1.84 0.03 0.98 0.00 0.00 173.24 175.50 1gav h ARG 38 N 2.35 0.00 0.00 4.02 3.08 -1.96 0.51 114.38 122.39 1gav h ARG 38 Ca -0.49 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 1gav h ARG 38 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1gav h ARG 38 CO 0.61 0.00 -0.28 0.66 -1.07 0.00 0.00 179.97 179.90 1gav h SER 39 N 0.00 0.00 -0.17 7.04 4.64 -1.98 -3.04 113.55 120.04 1gav h SER 39 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1gav h SER 39 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1gav h SER 39 CO -0.01 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 1gav n GLN 40 N -3.51 2.20 -2.09 4.77 6.02 0.16 -4.99 117.38 119.94 1gav n GLN 40 Ca -0.00 -1.62 -0.32 0.00 -0.01 0.00 0.00 57.00 55.04 1gav n GLN 40 Cb 0.43 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1gav n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gav s ALA 41 N -0.90 2.81 0.15 -1.58 0.00 -0.03 -4.64 121.76 117.58 1gav s ALA 41 Ca 0.13 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 1gav s ALA 41 Cb 0.07 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 1gav s ALA 41 CO 0.10 -0.71 0.70 0.71 0.00 0.00 0.00 175.76 176.56 1gav s TYR 42 N -2.53 3.82 -0.02 0.00 1.51 -1.26 -4.37 117.35 114.50 1gav s TYR 42 Ca 0.62 1.47 -0.06 0.00 -1.01 0.00 0.00 57.07 58.09 1gav s TYR 42 Cb -0.15 -2.65 0.01 0.00 -0.11 0.00 0.00 41.96 39.06 1gav s TYR 42 CO 0.37 0.50 0.13 0.50 -1.11 0.00 0.00 175.55 175.93 1gav s ARG 43 N -1.33 0.33 -0.01 -0.62 3.52 -0.74 -1.38 118.95 118.72 1gav s ARG 43 Ca 0.35 -0.15 -0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1gav s ARG 43 Cb -0.21 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.34 1gav s ARG 43 CO 0.23 -0.07 0.02 0.08 -0.81 0.00 0.00 175.30 174.75 1gav s VAL 44 N -0.73 -0.03 0.03 7.11 1.01 -0.32 -0.73 120.40 126.74 1gav s VAL 44 Ca -0.08 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1gav s VAL 44 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 1gav s VAL 44 CO 0.01 0.05 -0.11 0.42 0.00 0.00 0.00 175.10 175.47 1gav s THR 45 N 0.63 0.82 -0.01 3.92 -4.23 0.12 0.01 115.64 116.90 1gav s THR 45 Ca -0.05 -0.87 -0.22 0.00 -1.18 0.00 0.00 61.69 59.36 1gav s THR 45 Cb -0.08 -0.77 0.05 0.00 1.34 0.00 0.00 72.50 73.04 1gav s THR 45 CO -0.02 -0.08 0.49 0.00 -0.54 0.00 0.00 174.62 174.47 1gav s ALA 46 N -0.86 -1.26 -0.01 3.99 0.00 -0.75 -0.62 121.76 122.25 1gav s ALA 46 Ca -0.02 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 1gav s ALA 46 Cb -0.07 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.22 1gav s ALA 46 CO 0.01 -0.36 0.47 -1.54 0.00 0.00 0.00 175.76 174.34 1gav s SER 47 N -1.45 -0.39 -0.42 0.00 1.04 -0.92 -1.10 113.70 110.46 1gav s SER 47 Ca -0.10 0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1gav s SER 47 Cb -0.02 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.64 1gav s SER 47 CO 0.05 -0.57 0.17 -0.47 0.98 0.00 0.00 173.24 173.40 1gav s TYR 48 N -1.61 2.88 0.39 5.02 5.04 -1.26 -1.17 117.35 126.63 1gav s TYR 48 Ca -0.10 -2.75 0.08 0.00 -2.44 0.00 0.00 57.07 51.85 1gav s TYR 48 Cb -0.02 -2.49 -0.03 0.00 0.35 0.00 0.00 41.96 39.77 1gav s TYR 48 CO 0.04 -0.83 0.32 -0.98 -1.34 0.00 0.00 175.55 172.76 1gav s ARG 49 N 0.48 2.54 0.36 4.97 1.70 -0.81 -4.93 118.95 123.26 1gav s ARG 49 Ca 0.14 -1.51 -0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1gav s ARG 49 Cb -0.22 -2.35 -0.05 0.00 -0.57 0.00 0.00 34.95 31.76 1gav s ARG 49 CO -0.06 -0.10 0.64 0.00 -1.08 0.00 0.00 175.30 174.70 1gav s ALA 50 N -2.44 3.55 -0.13 7.88 0.00 -1.26 -0.79 121.76 128.57 1gav s ALA 50 Ca 0.45 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1gav s ALA 50 Cb -0.03 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.77 1gav s ALA 50 CO 0.27 0.00 0.28 0.45 0.00 0.00 0.00 175.76 176.76 1gav s SER 51 N -3.59 0.07 0.43 0.00 0.15 -0.17 -4.77 113.70 105.82 1gav s SER 51 Ca 0.45 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1gav s SER 51 Cb -0.10 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1gav s SER 51 CO 0.35 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1gav n GLY 52 N 4.94 -0.95 0.75 9.45 0.00 -1.26 -3.17 105.19 114.95 1gav n GLY 52 Ca -0.13 -1.16 0.09 0.00 0.00 0.00 0.00 46.02 44.81 1gav n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gav n ALA 53 N 1.14 2.84 -2.07 4.61 0.00 -1.26 -4.62 120.51 121.15 1gav n ALA 53 Ca 0.00 -2.29 -0.00 0.00 0.00 0.00 0.00 53.44 51.15 1gav n ALA 53 Cb 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1gav n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1gav n ASP 54 N -0.60 0.04 -3.57 0.00 5.75 -1.26 -5.01 116.55 111.91 1gav n ASP 54 Ca 0.20 -1.67 -0.09 0.00 -0.01 0.00 0.00 54.79 53.21 1gav n ASP 54 Cb 0.83 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.78 1gav n ASP 54 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1gav s LYS 55 N 0.00 0.59 0.32 0.11 0.00 -1.19 -1.59 119.74 117.98 1gav s LYS 55 Ca 0.04 0.02 0.08 0.00 0.00 0.00 0.00 55.97 56.11 1gav s LYS 55 Cb 0.05 0.28 -0.03 0.00 0.00 0.00 0.00 37.83 38.13 1gav s LYS 55 CO -0.02 -0.21 0.25 1.03 0.00 0.00 0.00 175.35 176.39 1gav s ARG 56 N -1.67 2.69 -0.01 1.78 1.81 -0.26 -1.00 118.95 122.29 1gav s ARG 56 Ca 0.01 -1.30 -0.00 0.00 -1.72 0.00 0.00 55.73 52.72 1gav s ARG 56 Cb -0.01 -2.44 0.01 0.00 -0.45 0.00 0.00 34.95 32.07 1gav s ARG 56 CO -0.02 0.15 0.02 0.21 -0.68 0.00 0.00 175.30 174.99 1gav s LYS 57 N -3.94 -0.00 -0.11 3.54 2.20 0.03 -1.06 119.74 120.40 1gav s LYS 57 Ca 0.39 0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 56.06 1gav s LYS 57 Cb -0.06 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 1gav s LYS 57 CO 0.26 -0.08 0.06 0.71 -0.36 0.00 0.00 175.35 175.94 1gav s TYR 58 N 0.49 3.33 -0.16 4.03 2.02 0.52 -1.93 117.35 125.65 1gav s TYR 58 Ca -0.04 0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1gav s TYR 58 Cb -0.06 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1gav s TYR 58 CO -0.01 0.52 -0.07 0.99 -1.57 0.00 0.00 175.55 175.41 1gav s THR 59 N -0.78 1.19 0.01 -0.71 2.01 -0.32 -1.25 115.64 115.79 1gav s THR 59 Ca 0.12 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.57 1gav s THR 59 Cb -0.12 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1gav s THR 59 CO 0.03 0.19 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.32 1gav s ILE 60 N 1.61 1.56 0.01 1.82 1.01 -0.38 -2.16 121.20 124.66 1gav s ILE 60 Ca 0.01 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1gav s ILE 60 Cb -0.15 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1gav s ILE 60 CO -0.08 0.32 -0.08 -0.54 0.00 0.00 0.00 174.94 174.55 1gav s LYS 61 N -0.77 0.64 -0.01 2.79 1.02 0.21 -0.37 119.74 123.24 1gav s LYS 61 Ca 0.07 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.67 1gav s LYS 61 Cb -0.08 -0.59 -0.00 0.00 -0.52 0.00 0.00 37.83 36.63 1gav s LYS 61 CO 0.00 0.15 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.32 1gav s LEU 62 N -0.54 1.95 -0.09 3.17 2.96 -0.38 -0.70 118.68 125.05 1gav s LEU 62 Ca 0.01 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1gav s LEU 62 Cb -0.05 -0.53 -0.00 0.00 0.50 0.00 0.00 46.19 46.11 1gav s LEU 62 CO 0.00 0.11 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.30 1gav s GLU 63 N -0.10 2.80 -0.10 1.98 2.02 0.10 -1.13 118.70 124.26 1gav s GLU 63 Ca 0.02 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1gav s GLU 63 Cb -0.05 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1gav s GLU 63 CO -0.00 0.19 -0.16 0.08 0.02 0.00 0.00 175.26 175.40 1gav s VAL 64 N 0.30 1.50 0.59 2.63 1.01 0.24 -1.80 120.40 124.87 1gav s VAL 64 Ca -0.16 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1gav s VAL 64 Cb -0.17 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1gav s VAL 64 CO 0.07 0.44 1.02 -2.16 0.00 0.00 0.00 175.10 174.48 1gav s PRO 65 N 0.87 3.57 0.01 2.72 0.04 -1.26 -0.03 135.00 140.92 1gav s PRO 65 Ca -0.09 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 61.65 1gav s PRO 65 Cb -0.15 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1gav s PRO 65 CO 0.00 -0.59 0.63 0.21 0.04 0.00 0.00 177.00 177.29 1gav s LYS 66 N -4.63 4.35 -0.19 4.56 2.20 -0.74 -4.82 119.74 120.47 1gav s LYS 66 Ca 0.58 0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 56.87 1gav s LYS 66 Cb -0.12 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 32.78 1gav s LYS 66 CO 0.44 0.36 -0.27 -0.89 -0.36 0.00 0.00 175.35 174.62 1gav n ILE 67 N 2.73 1.24 -1.67 5.43 5.41 -1.26 -4.74 119.36 126.49 1gav n ILE 67 Ca -0.06 -0.18 -0.45 0.00 1.00 0.00 0.00 62.75 63.06 1gav n ILE 67 Cb 0.51 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 1gav n ILE 67 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1gav n VAL 68 N -4.02 0.82 0.00 1.39 0.24 -1.26 -0.61 118.33 114.88 1gav n VAL 68 Ca -0.35 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1gav n VAL 68 Cb 0.71 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 1gav n VAL 68 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1gav n THR 69 N 2.09 0.00 -1.87 3.34 -1.04 -1.26 -4.99 114.28 110.55 1gav n THR 69 Ca 0.12 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.74 1gav n THR 69 Cb 0.31 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.83 1gav n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gav s GLN 70 N -0.16 3.67 -0.43 -2.82 -2.07 0.22 -4.95 119.66 113.12 1gav s GLN 70 Ca 0.00 2.31 -0.14 0.00 -1.82 0.00 0.00 55.36 55.71 1gav s GLN 70 Cb 0.00 -2.61 0.05 0.00 -1.09 0.00 0.00 33.01 29.36 1gav s GLN 70 CO 0.00 -0.79 0.32 0.08 -1.32 0.00 0.00 175.29 173.58 1gav s VAL 71 N -1.24 5.00 0.25 3.63 1.01 -1.26 -5.03 120.40 122.76 1gav s VAL 71 Ca 0.62 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 1gav s VAL 71 Cb -0.41 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 31.93 1gav s VAL 71 CO 0.53 -0.44 1.56 0.52 0.00 0.00 0.00 175.10 177.27 1gav n VAL 72 N 5.12 0.75 -0.87 2.92 0.31 -1.26 -1.47 118.33 123.83 1gav n VAL 72 Ca -0.12 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1gav n VAL 72 Cb 0.45 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1gav n VAL 72 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1gav n ASN 73 N 2.56 -2.94 -3.82 4.52 3.02 -1.26 -4.98 115.26 112.35 1gav n ASN 73 Ca 0.11 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.40 1gav n ASN 73 Cb 0.34 -2.09 0.18 0.00 -0.61 0.00 0.00 39.78 37.60 1gav n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gav n GLY 74 N -1.07 -1.23 3.08 7.41 0.00 -0.54 -5.01 105.19 107.84 1gav n GLY 74 Ca 0.00 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 1gav n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gav s VAL 75 N -3.58 3.55 -0.27 1.61 1.01 -1.26 -5.02 120.40 116.44 1gav s VAL 75 Ca 0.68 -2.93 -0.06 0.00 0.00 0.00 0.00 61.98 59.68 1gav s VAL 75 Cb -0.02 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1gav s VAL 75 CO 0.48 -0.85 0.05 -1.61 0.00 0.00 0.00 175.10 173.16 1gav s GLU 76 N 0.01 3.19 0.15 2.72 2.02 -1.26 -5.08 118.70 120.44 1gav s GLU 76 Ca 0.16 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1gav s GLU 76 Cb -0.21 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 1gav s GLU 76 CO -0.03 -0.37 0.23 -0.51 0.02 0.00 0.00 175.26 174.61 1gav s LEU 77 N 1.50 4.16 0.17 1.80 2.01 -1.26 -4.16 118.68 122.90 1gav s LEU 77 Ca 0.03 0.07 -0.21 0.00 0.01 0.00 0.00 54.13 54.03 1gav s LEU 77 Cb -0.16 -2.75 -0.08 0.00 0.01 0.00 0.00 46.19 43.21 1gav s LEU 77 CO 0.01 0.06 0.70 -2.84 1.01 0.00 0.00 176.35 175.30 1gav s PRO 78 N -3.17 4.35 0.28 1.29 0.02 -1.26 -5.01 135.00 131.49 1gav s PRO 78 Ca 0.33 0.94 -0.02 0.00 0.02 0.00 0.00 61.00 62.27 1gav s PRO 78 Cb -0.11 -3.10 0.43 0.00 0.02 0.00 0.00 34.50 31.75 1gav s PRO 78 CO 0.27 0.51 1.91 0.28 -0.33 0.00 0.00 177.00 179.64 1gav h VAL 79 N 3.12 1.12 -0.48 3.83 2.07 -1.98 0.61 116.25 124.54 1gav h VAL 79 Ca -0.48 -0.39 0.14 0.00 0.82 0.00 0.00 66.70 66.79 1gav h VAL 79 Cb 1.20 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1gav h VAL 79 CO 0.65 0.21 0.60 0.77 0.02 0.00 0.00 177.57 179.82 1gav h SER 80 N 1.15 0.00 0.95 0.57 4.64 -1.94 0.52 113.55 119.44 1gav h SER 80 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1gav h SER 80 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1gav h SER 80 CO -0.14 0.00 -1.05 0.00 -0.87 0.00 0.00 176.83 174.77 1gav n ALA 81 N -2.25 2.54 -1.09 5.18 0.00 0.20 -4.26 120.51 120.82 1gav n ALA 81 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1gav n ALA 81 Cb 0.79 -1.09 0.28 0.00 0.00 0.00 0.00 19.45 19.43 1gav n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1gav n TRP 82 N -2.66 1.84 -3.62 0.00 7.02 0.18 -4.95 117.44 115.26 1gav n TRP 82 Ca -0.00 -1.17 -0.15 0.00 -1.02 0.00 0.00 57.50 55.16 1gav n TRP 82 Cb 0.55 -0.56 -0.07 0.00 -2.42 0.00 0.00 31.31 28.81 1gav n TRP 82 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1gav s LYS 83 N -2.99 0.85 -0.03 -0.99 2.20 -1.15 -1.79 119.74 115.84 1gav s LYS 83 Ca 0.50 0.43 0.03 0.00 -0.36 0.00 0.00 55.97 56.57 1gav s LYS 83 Cb 0.41 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 37.10 1gav s LYS 83 CO 0.10 -0.20 -0.11 0.00 -0.36 0.00 0.00 175.35 174.78 1gav s ALA 84 N -0.58 2.82 0.13 3.13 0.00 0.96 -4.93 121.76 123.29 1gav s ALA 84 Ca -0.07 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 51.02 1gav s ALA 84 Cb -0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1gav s ALA 84 CO 0.05 0.57 -0.26 0.71 0.00 0.00 0.00 175.76 176.83 1gav s TYR 85 N -0.83 2.26 -0.04 0.00 1.51 -1.26 -0.59 117.35 118.41 1gav s TYR 85 Ca 0.13 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1gav s TYR 85 Cb -0.11 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1gav s TYR 85 CO 0.03 0.33 0.14 0.00 -1.11 0.00 0.00 175.55 174.93 1gav s ALA 86 N -1.07 -0.34 -0.03 3.71 0.00 -0.28 -5.01 121.76 118.74 1gav s ALA 86 Ca 0.13 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1gav s ALA 86 Cb -0.10 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1gav s ALA 86 CO 0.06 -0.11 -0.06 -1.12 0.00 0.00 0.00 175.76 174.53 1gav s SER 87 N -0.32 0.98 -0.07 0.00 0.01 -1.26 -1.25 113.70 111.79 1gav s SER 87 Ca -0.04 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.10 1gav s SER 87 Cb -0.03 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1gav s SER 87 CO 0.00 -0.00 -0.13 -0.63 0.41 0.00 0.00 173.24 172.89 1gav s ILE 88 N 0.58 1.20 -0.16 1.44 1.09 0.50 -5.01 121.20 120.83 1gav s ILE 88 Ca -0.08 -0.51 0.01 0.00 -1.10 0.00 0.00 60.65 58.97 1gav s ILE 88 Cb -0.12 -1.10 0.01 0.00 -1.06 0.00 0.00 42.46 40.20 1gav s ILE 88 CO 0.00 0.37 -0.19 -1.81 -0.10 0.00 0.00 174.94 173.22 1gav s ASP 89 N 0.71 3.30 -0.12 3.58 1.11 -1.26 -1.25 116.67 122.74 1gav s ASP 89 Ca -0.14 -0.58 0.03 0.00 0.18 0.00 0.00 52.55 52.04 1gav s ASP 89 Cb -0.16 -1.50 0.00 0.00 1.07 0.00 0.00 42.92 42.33 1gav s ASP 89 CO 0.03 0.04 -0.22 -0.22 1.18 0.00 0.00 175.17 175.99 1gav s LEU 90 N 1.05 2.17 -0.17 1.23 2.96 -0.38 -4.98 118.68 120.56 1gav s LEU 90 Ca -0.01 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1gav s LEU 90 Cb -0.14 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.11 1gav s LEU 90 CO -0.06 0.13 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.02 1gav s THR 91 N 0.55 2.23 -0.20 3.68 2.01 -1.26 -0.35 115.64 122.30 1gav s THR 91 Ca -0.13 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 1gav s THR 91 Cb -0.17 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.46 1gav s THR 91 CO 0.04 0.53 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.84 1gav s ILE 92 N 1.09 1.13 0.59 1.82 1.01 -0.23 -4.99 121.20 121.63 1gav s ILE 92 Ca -0.00 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 1gav s ILE 92 Cb -0.14 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1gav s ILE 92 CO -0.07 -0.02 1.12 -0.81 0.00 0.00 0.00 174.94 175.16 1gav n PRO 93 N 4.84 1.15 0.19 2.79 -0.04 -1.26 -1.10 135.00 141.57 1gav n PRO 93 Ca -0.11 0.44 0.17 0.00 -0.04 0.00 0.00 63.50 63.95 1gav n PRO 93 Cb 0.46 -2.32 0.81 0.00 -0.04 0.00 0.00 33.50 32.41 1gav n PRO 93 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1gav h ILE 94 N 0.78 0.52 0.00 0.52 3.07 -1.62 -2.22 117.51 118.56 1gav h ILE 94 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1gav h ILE 94 Cb 1.34 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1gav h ILE 94 CO 0.53 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.12 1gav n PHE 95 N -3.89 0.00 -1.92 0.16 3.72 -1.26 -4.79 117.46 109.48 1gav n PHE 95 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 1gav n PHE 95 Cb 0.33 -0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 38.41 1gav n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1gav s ALA 96 N -2.88 3.67 0.30 4.37 0.00 -0.84 -4.99 121.76 121.39 1gav s ALA 96 Ca 0.12 1.42 0.08 0.00 0.00 0.00 0.00 51.96 53.58 1gav s ALA 96 Cb 0.13 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1gav s ALA 96 CO 0.35 -0.84 0.17 0.00 0.00 0.00 0.00 175.76 175.44 1gav s ALA 97 N -0.06 3.55 0.07 0.00 0.00 -1.26 -4.94 121.76 119.12 1gav s ALA 97 Ca 0.60 -1.65 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1gav s ALA 97 Cb -0.44 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1gav s ALA 97 CO 0.46 0.12 0.92 0.25 0.00 0.00 0.00 175.76 177.51 1gav n THR 98 N -1.17 -0.30 -0.12 0.00 -2.24 -1.26 0.15 114.28 109.34 1gav n THR 98 Ca -0.04 1.43 0.21 0.00 -2.27 0.00 0.00 64.05 63.38 1gav n THR 98 Cb 0.60 -1.81 0.63 0.00 -2.10 0.00 0.00 70.33 67.65 1gav n THR 98 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1gav h ASP 99 N 0.00 0.15 0.08 3.42 2.03 -1.99 0.49 116.42 120.60 1gav h ASP 99 Ca 0.07 0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1gav h ASP 99 Cb 0.18 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1gav h ASP 99 CO -0.42 0.07 -0.04 0.44 -1.03 0.00 0.00 179.24 178.26 1gav h ASP 100 N 0.16 -0.09 -0.79 4.15 3.32 -0.69 -2.90 116.42 119.58 1gav h ASP 100 Ca 0.36 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 57.19 1gav h ASP 100 Cb 1.18 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 1gav h ASP 100 CO -0.06 0.24 0.48 0.58 -1.72 0.00 0.00 179.24 178.76 1gav h VAL 101 N -0.44 1.01 -0.06 -1.35 2.07 -0.58 -0.72 116.25 116.18 1gav h VAL 101 Ca -0.01 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1gav h VAL 101 Cb 0.37 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1gav h VAL 101 CO 0.02 0.16 -0.14 0.71 0.02 0.00 0.00 177.57 178.34 1gav h THR 102 N 0.87 1.14 0.42 2.57 1.35 -0.94 0.16 112.91 118.47 1gav h THR 102 Ca 0.35 -0.62 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 1gav h THR 102 Cb 0.19 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1gav h THR 102 CO -0.18 0.18 -0.20 0.58 -0.25 0.00 0.00 175.52 175.65 1gav h VAL 103 N 0.09 0.48 -0.85 6.82 2.07 -0.96 0.11 116.25 124.02 1gav h VAL 103 Ca 0.02 -0.51 0.16 0.00 0.82 0.00 0.00 66.70 67.19 1gav h VAL 103 Cb 0.30 0.69 -0.16 0.00 -1.52 0.00 0.00 31.29 30.60 1gav h VAL 103 CO 0.02 0.08 -0.27 0.40 0.02 0.00 0.00 177.57 177.82 1gav h ILE 104 N -0.90 0.12 -0.15 4.57 2.04 -0.73 0.66 117.51 123.11 1gav h ILE 104 Ca -0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1gav h ILE 104 Cb 0.56 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1gav h ILE 104 CO 0.09 0.00 -0.49 -1.28 0.00 0.00 0.00 178.15 176.47 1gav h SER 105 N -0.03 -1.56 -0.97 1.72 0.87 -0.49 -0.91 113.55 112.19 1gav h SER 105 Ca 0.37 0.19 0.01 0.00 -1.23 0.00 0.00 61.79 61.13 1gav h SER 105 Cb 0.61 0.62 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 1gav h SER 105 CO -0.88 -0.46 0.63 0.11 -0.53 0.00 0.00 176.83 175.70 1gav h LYS 106 N -0.54 1.29 -0.30 2.24 1.57 0.24 -2.47 116.57 118.60 1gav h LYS 106 Ca 0.06 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1gav h LYS 106 Cb 0.66 -0.29 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1gav h LYS 106 CO -0.43 0.87 -0.05 0.77 -0.57 0.00 0.00 179.45 180.04 1gav h SER 107 N 1.32 -0.22 -0.12 0.86 0.02 0.13 0.42 113.55 115.97 1gav h SER 107 Ca 0.35 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.42 1gav h SER 107 Cb -0.13 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1gav h SER 107 CO -0.07 -0.07 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.33 1gav h LEU 108 N 0.03 -0.45 -0.93 5.07 3.38 -0.80 0.23 115.31 121.85 1gav h LEU 108 Ca 0.14 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1gav h LEU 108 Cb 0.21 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 1gav h LEU 108 CO -0.28 -0.19 0.55 0.00 0.09 0.00 0.00 178.44 178.61 1gav h ALA 109 N 0.87 1.40 0.02 1.53 0.00 -0.74 -0.98 119.26 121.35 1gav h ALA 109 Ca 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gav h ALA 109 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1gav h ALA 109 CO -0.23 0.10 -0.01 0.78 0.00 0.00 0.00 179.25 179.89 1gav h GLY 110 N 0.84 -0.02 -0.40 0.00 0.00 1.00 -1.65 103.07 102.84 1gav h GLY 110 Ca 0.48 0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.94 1gav h GLY 110 CO -0.29 -0.01 -0.24 -2.00 0.00 0.00 0.00 176.54 174.00 1gav h LEU 111 N -0.31 -0.84 -1.31 3.11 5.85 0.76 -1.42 115.31 121.16 1gav h LEU 111 Ca -0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1gav h LEU 111 Cb 0.29 0.49 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1gav h LEU 111 CO 0.00 -0.26 0.00 0.49 -0.34 0.00 0.00 178.44 178.33 1gav n PHE 112 N -5.45 0.16 -1.65 1.25 3.72 -0.93 -4.44 117.46 110.11 1gav n PHE 112 Ca 0.07 -0.08 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 1gav n PHE 112 Cb 0.36 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.92 1gav n PHE 112 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1gav n LYS 113 N 0.54 1.44 -2.19 -1.08 4.81 -0.54 -4.68 118.16 116.47 1gav n LYS 113 Ca 0.17 0.52 -0.42 0.00 -0.87 0.00 0.00 58.31 57.72 1gav n LYS 113 Cb 0.40 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 33.19 1gav n LYS 113 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1gav s VAL 114 N -1.32 3.25 0.00 3.15 1.01 -1.26 -2.26 120.40 122.97 1gav s VAL 114 Ca 0.67 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1gav s VAL 114 Cb -0.49 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1gav s VAL 114 CO 0.54 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1gav n GLY 115 N 2.87 1.44 3.90 4.51 0.00 -1.26 -5.05 105.19 111.60 1gav n GLY 115 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1gav n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gav s ASN 116 N -1.66 6.48 0.16 1.61 0.01 -0.96 -4.83 114.94 115.76 1gav s ASN 116 Ca 0.00 0.73 -0.22 0.00 -0.71 0.00 0.00 52.86 52.65 1gav s ASN 116 Cb 0.00 -2.15 0.04 0.00 0.41 0.00 0.00 41.25 39.55 1gav s ASN 116 CO 0.00 -0.15 1.34 -0.81 -1.51 0.00 0.00 177.10 175.97 1gav n PRO 117 N -0.72 -0.31 -0.07 -0.60 -0.04 -1.26 -0.24 135.00 131.75 1gav n PRO 117 Ca -0.01 1.32 -0.07 0.00 -0.04 0.00 0.00 63.50 64.70 1gav n PRO 117 Cb 0.53 -1.95 -0.01 0.00 -0.04 0.00 0.00 33.50 32.04 1gav n PRO 117 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1gav h ILE 118 N 0.00 0.55 0.02 0.52 5.03 -1.91 0.39 117.51 122.11 1gav h ILE 118 Ca 0.20 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.96 1gav h ILE 118 Cb 0.42 0.55 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 1gav h ILE 118 CO -0.83 0.00 -0.11 0.00 -0.68 0.00 0.00 178.15 176.53 1gav h ALA 119 N 1.11 -0.14 -0.20 1.87 0.00 -1.20 -1.44 119.26 119.26 1gav h ALA 119 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1gav h ALA 119 Cb 0.34 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1gav h ALA 119 CO -0.36 -0.61 -0.19 1.49 0.00 0.00 0.00 179.25 179.58 1gav h GLU 120 N -0.20 -0.20 -0.25 0.00 4.81 0.69 -2.29 114.58 117.14 1gav h GLU 120 Ca 0.04 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1gav h GLU 120 Cb 0.24 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1gav h GLU 120 CO -0.10 -0.13 -0.15 0.00 -0.73 0.00 0.00 179.01 177.90 1gav h ALA 121 N 0.87 0.05 0.00 2.92 0.00 0.06 -1.00 119.26 122.16 1gav h ALA 121 Ca 0.12 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1gav h ALA 121 Cb 0.39 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1gav h ALA 121 CO -0.33 -0.56 -0.34 0.82 0.00 0.00 0.00 179.25 178.85 1gav h ILE 122 N -0.12 0.28 0.00 0.00 2.04 -0.75 -1.13 117.51 117.83 1gav h ILE 122 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1gav h ILE 122 Cb 0.33 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1gav h ILE 122 CO -0.33 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.28 1gav n SER 123 N -5.42 0.08 -0.80 1.72 3.41 -0.91 -1.94 113.62 109.76 1gav n SER 123 Ca -0.05 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.15 1gav n SER 123 Cb 0.34 -0.54 0.18 0.00 -0.26 0.00 0.00 64.21 63.93 1gav n SER 123 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gav n SER 124 N -1.59 3.09 -1.77 4.04 3.41 -0.41 -4.91 113.62 115.46 1gav n SER 124 Ca 0.03 -1.95 -0.21 0.00 -0.26 0.00 0.00 58.87 56.48 1gav n SER 124 Cb 0.17 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1gav n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gav n GLN 125 N 0.82 -1.51 -2.89 4.33 6.02 -0.82 -4.94 117.38 118.40 1gav n GLN 125 Ca 0.14 1.19 -0.19 0.00 -0.01 0.00 0.00 57.00 58.13 1gav n GLN 125 Cb 0.47 -5.64 0.03 0.00 1.02 0.00 0.00 30.24 26.12 1gav n GLN 125 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1gav s SER 126 N -2.62 5.40 0.00 1.08 0.01 -0.50 -5.04 113.70 112.02 1gav s SER 126 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1gav s SER 126 Cb 0.00 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1gav s SER 126 CO 0.00 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1gav n GLY 127 N -2.10 4.09 3.43 3.44 0.00 -1.26 -4.54 105.19 108.25 1gav n GLY 127 Ca 0.09 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1gav n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gav s PHE 128 N 1.91 2.77 -0.09 1.61 0.08 -1.26 -4.86 117.98 118.15 1gav s PHE 128 Ca 0.00 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.35 1gav s PHE 128 Cb 0.00 -1.74 0.12 0.00 -0.57 0.00 0.00 43.02 40.83 1gav s PHE 128 CO 0.00 0.00 1.03 1.52 -0.10 0.00 0.00 175.22 177.67 1gav s TYR 129 N -0.20 -0.26 -2.68 0.36 1.13 -1.26 -5.26 117.35 109.19 1gav s TYR 129 Ca 0.00 0.19 0.27 0.00 -1.41 0.00 0.00 57.07 56.12 1gav s TYR 129 Cb -0.13 0.52 0.75 0.00 -1.10 0.00 0.00 41.96 42.00 1gav s TYR 129 CO 0.03 -0.39 1.57 0.00 -2.51 0.00 0.00 175.55 174.26