#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvc n LYS 87 N 0.00 0.49 -3.95 -0.14 5.02 -1.26 -5.00 118.16 113.32 2vvc n LYS 87 Ca 0.00 0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 2vvc n LYS 87 Cb 0.00 -1.85 -0.11 0.00 -0.02 0.00 0.00 35.03 33.06 2vvc n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vvc s LEU 88 N -0.24 2.01 0.34 -0.35 1.43 -1.26 -4.47 118.68 116.13 2vvc s LEU 88 Ca 0.69 -0.43 0.26 0.00 -1.03 0.00 0.00 54.13 53.63 2vvc s LEU 88 Cb -0.40 0.31 1.02 0.00 0.03 0.00 0.00 46.19 47.15 2vvc s LEU 88 CO 0.54 -0.34 1.78 0.00 0.23 0.00 0.00 176.35 178.56 2vvc n SER 90 N -2.51 0.73 -4.15 0.00 3.41 -1.26 -3.01 113.62 106.84 2vvc n SER 90 Ca 0.02 -0.63 -0.34 0.00 -0.26 0.00 0.00 58.87 57.66 2vvc n SER 90 Cb 0.30 0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.17 2vvc n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vvc s LEU 91 N -2.59 3.82 -1.25 1.04 1.02 -1.12 -4.64 118.68 114.96 2vvc s LEU 91 Ca 0.23 -1.31 0.00 0.00 0.02 0.00 0.00 54.13 53.07 2vvc s LEU 91 Cb 0.19 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.72 2vvc s LEU 91 CO 0.53 -0.25 0.00 0.47 0.02 0.00 0.00 176.35 177.13 2vvc n ASP 92 N 4.58 -4.24 -1.86 2.29 8.00 -1.26 -1.12 116.55 122.93 2vvc n ASP 92 Ca -0.13 0.18 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 2vvc n ASP 92 Cb 0.43 -3.63 -0.03 0.00 -0.02 0.00 0.00 41.12 37.87 2vvc n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vvc n ASN 93 N -1.67 -5.32 -1.34 -2.24 5.15 -1.16 -2.07 115.26 106.61 2vvc n ASN 93 Ca -0.16 0.16 -0.14 0.00 -0.60 0.00 0.00 54.58 53.83 2vvc n ASN 93 Cb 0.60 -4.41 -0.04 0.00 -0.53 0.00 0.00 39.78 35.41 2vvc n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vvc n GLY 94 N -0.90 0.72 2.60 8.20 0.00 -0.18 -2.02 105.19 113.61 2vvc n GLY 94 Ca -0.21 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2vvc n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vvc n ASP 95 N -0.50 -3.51 -4.77 1.61 8.00 -0.88 -4.85 116.55 111.65 2vvc n ASP 95 Ca -0.15 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.95 2vvc n ASP 95 Cb 0.54 -1.65 -0.06 0.00 -0.02 0.00 0.00 41.12 39.94 2vvc n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vvc h ASP 97 N 4.80 0.72 0.00 0.00 5.19 -1.80 -3.47 116.42 121.87 2vvc h ASP 97 Ca -0.46 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 55.71 2vvc h ASP 97 Cb 1.21 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2vvc h ASP 97 CO 0.67 0.89 0.00 0.00 -3.12 0.00 0.00 179.24 177.68 2vvc n GLN 98 N -4.14 0.00 -2.45 3.56 6.02 -1.26 -5.00 117.38 114.11 2vvc n GLN 98 Ca 0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2vvc n GLN 98 Cb 0.39 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.62 2vvc n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vvc s PHE 99 N 1.95 3.22 -0.03 1.08 0.08 -0.77 -4.91 117.98 118.59 2vvc s PHE 99 Ca 0.00 1.62 0.03 0.00 0.12 0.00 0.00 56.93 58.70 2vvc s PHE 99 Cb 0.00 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 2vvc s PHE 99 CO 0.00 -0.87 -0.12 0.00 -0.10 0.00 0.00 175.22 174.13 2vvc s HIS 101 N 0.13 0.46 -0.21 0.00 3.76 -0.14 -4.98 115.29 114.31 2vvc s HIS 101 Ca -0.03 -0.98 -0.05 0.00 -0.15 0.00 0.00 55.06 53.84 2vvc s HIS 101 Cb -0.10 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.24 2vvc s HIS 101 CO 0.01 -0.41 -0.00 -1.21 -0.85 0.00 0.00 174.74 172.28 2vvc s GLU 102 N -3.91 3.57 -0.02 1.40 2.02 -1.26 0.79 118.70 121.29 2vvc s GLU 102 Ca 0.07 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.59 2vvc s GLU 102 Cb 0.07 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 2vvc s GLU 102 CO -0.10 -0.05 -0.24 -1.21 0.02 0.00 0.00 175.26 173.67 2vvc s GLU 103 N 1.16 2.01 -1.78 1.61 2.02 -0.20 -4.61 118.70 118.91 2vvc s GLU 103 Ca 0.03 -0.87 -0.20 0.00 0.02 0.00 0.00 54.97 53.94 2vvc s GLU 103 Cb -0.14 -1.93 0.19 0.00 0.10 0.00 0.00 34.13 32.35 2vvc s GLU 103 CO 0.01 0.52 0.69 1.04 0.02 0.00 0.00 175.26 177.54 2vvc n GLN 104 N 2.51 -2.08 -4.10 1.61 6.02 -1.26 -0.32 117.38 119.76 2vvc n GLN 104 Ca -0.16 0.27 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 2vvc n GLN 104 Cb 0.52 -4.91 -0.04 0.00 1.02 0.00 0.00 30.24 26.83 2vvc n GLN 104 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2vvc n ASN 105 N -2.58 -0.62 -4.03 1.08 3.02 -1.26 -4.98 115.26 105.89 2vvc n ASN 105 Ca 0.08 -1.16 -0.08 0.00 -0.03 0.00 0.00 54.58 53.39 2vvc n ASN 105 Cb 0.48 -2.29 -0.10 0.00 -0.61 0.00 0.00 39.78 37.25 2vvc n ASN 105 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2vvc s SER 106 N -4.21 0.36 0.06 6.41 0.01 0.57 -5.09 113.70 111.81 2vvc s SER 106 Ca 0.10 -0.77 -0.31 0.00 1.31 0.00 0.00 55.95 56.28 2vvc s SER 106 Cb -0.05 0.17 -0.07 0.00 0.21 0.00 0.00 66.02 66.28 2vvc s SER 106 CO 0.94 -0.48 1.37 -0.69 0.41 0.00 0.00 173.24 174.79 2vvc s VAL 107 N -2.89 3.57 -0.12 3.43 1.01 -1.26 -1.03 120.40 123.11 2vvc s VAL 107 Ca -0.03 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2vvc s VAL 107 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2vvc s VAL 107 CO -0.06 0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 174.20 2vvc s VAL 108 N 1.65 1.85 0.30 2.92 1.01 0.24 -4.91 120.40 123.45 2vvc s VAL 108 Ca 0.64 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 2vvc s VAL 108 Cb -0.34 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 2vvc s VAL 108 CO 0.29 0.51 0.60 0.00 0.00 0.00 0.00 175.10 176.50 2vvc s SER 110 N -2.95 0.83 0.11 0.00 1.04 -0.79 -4.99 113.70 106.95 2vvc s SER 110 Ca 0.47 -1.49 0.03 0.00 0.48 0.00 0.00 55.95 55.43 2vvc s SER 110 Cb -0.11 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2vvc s SER 110 CO 0.28 -1.05 -0.08 0.00 0.98 0.00 0.00 173.24 173.36 2vvc s ALA 112 N -3.19 2.14 0.17 0.00 0.00 -1.26 -4.91 121.76 114.71 2vvc s ALA 112 Ca 0.11 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 2vvc s ALA 112 Cb 0.02 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 2vvc s ALA 112 CO -0.02 -1.88 0.73 -2.13 0.00 0.00 0.00 175.76 172.46 2vvc n ARG 113 N -3.43 0.26 -0.66 0.00 0.63 -1.26 -2.14 116.66 110.06 2vvc n ARG 113 Ca 0.10 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2vvc n ARG 113 Cb 0.52 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 32.17 2vvc n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vvc n GLY 114 N 1.82 0.75 3.16 5.14 0.00 -1.26 -4.66 105.19 110.14 2vvc n GLY 114 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2vvc n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vvc s TYR 115 N -2.63 1.16 0.00 1.61 1.51 -0.91 -0.81 117.35 117.28 2vvc s TYR 115 Ca 0.00 -0.45 0.08 0.00 -1.01 0.00 0.00 57.07 55.69 2vvc s TYR 115 Cb 0.00 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 2vvc s TYR 115 CO 0.00 0.04 -0.25 0.95 -1.11 0.00 0.00 175.55 175.18 2vvc s THR 116 N -1.24 2.19 0.15 -0.71 -4.23 0.19 -4.80 115.64 107.19 2vvc s THR 116 Ca -0.02 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 58.99 2vvc s THR 116 Cb -0.10 -1.80 -0.10 0.00 1.34 0.00 0.00 72.50 71.83 2vvc s THR 116 CO 0.02 0.50 1.69 -0.22 -0.54 0.00 0.00 174.62 176.06 2vvc s LEU 117 N -0.88 4.38 0.85 4.79 2.96 -1.26 -1.18 118.68 128.34 2vvc s LEU 117 Ca 0.11 2.70 -0.13 0.00 -0.22 0.00 0.00 54.13 56.59 2vvc s LEU 117 Cb -0.10 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.07 2vvc s LEU 117 CO 0.00 -0.92 0.92 0.00 -1.32 0.00 0.00 176.35 175.03 2vvc n ALA 118 N 4.65 -0.98 -0.08 5.97 0.00 0.40 -4.84 120.51 125.63 2vvc n ALA 118 Ca 0.16 -0.43 0.22 0.00 0.00 0.00 0.00 53.44 53.39 2vvc n ALA 118 Cb 0.38 -2.08 0.67 0.00 0.00 0.00 0.00 19.45 18.42 2vvc n ALA 118 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vvc h ASP 119 N -1.19 0.06 0.84 0.00 3.45 -1.92 0.20 116.42 117.86 2vvc h ASP 119 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 2vvc h ASP 119 Cb 1.30 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 2vvc h ASP 119 CO 0.42 0.03 0.00 -0.46 -1.57 0.00 0.00 179.24 177.66 2vvc n ASN 120 N -4.36 0.16 0.00 6.45 0.23 -1.26 -4.88 115.26 111.59 2vvc n ASN 120 Ca 0.13 0.52 0.00 0.00 -0.53 0.00 0.00 54.58 54.71 2vvc n ASN 120 Cb 0.70 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 2vvc n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vvc n GLY 121 N 0.79 0.62 0.73 4.83 0.00 0.71 -4.84 105.19 108.02 2vvc n GLY 121 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2vvc n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vvc n LYS 122 N -2.70 0.18 -1.63 1.61 5.02 -1.26 -4.24 118.16 115.14 2vvc n LYS 122 Ca 0.00 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 2vvc n LYS 122 Cb 0.01 -0.81 0.06 0.00 -0.02 0.00 0.00 35.03 34.27 2vvc n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vvc s ALA 123 N -2.23 2.35 -0.20 7.82 0.00 -1.26 -2.40 121.76 125.83 2vvc s ALA 123 Ca -0.11 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 2vvc s ALA 123 Cb 0.03 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2vvc s ALA 123 CO 0.15 -1.48 -0.12 0.00 0.00 0.00 0.00 175.76 174.31 2vvc s ILE 125 N 1.39 4.24 0.27 0.00 1.01 -0.33 -4.89 121.20 122.89 2vvc s ILE 125 Ca 0.05 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 2vvc s ILE 125 Cb -0.14 -2.94 -0.11 0.00 0.01 0.00 0.00 42.46 39.28 2vvc s ILE 125 CO -0.08 0.39 1.55 -2.84 0.00 0.00 0.00 174.94 173.96 2vvc s PRO 126 N 1.17 4.17 0.25 2.79 0.02 -1.26 0.53 135.00 142.67 2vvc s PRO 126 Ca 0.04 2.48 0.25 0.00 0.02 0.00 0.00 61.00 63.79 2vvc s PRO 126 Cb -0.14 -3.06 0.59 0.00 0.02 0.00 0.00 34.50 31.90 2vvc s PRO 126 CO 0.02 -0.57 1.63 1.79 -0.33 0.00 0.00 177.00 179.55 2vvc h THR 127 N 3.48 0.00 -4.31 0.99 1.35 -1.32 -3.46 112.91 109.65 2vvc h THR 127 Ca -0.46 -0.63 -0.37 0.00 -0.55 0.00 0.00 66.41 64.40 2vvc h THR 127 Cb 1.22 1.54 -0.09 0.00 -1.73 0.00 0.00 68.15 69.08 2vvc h THR 127 CO 0.80 0.00 -0.32 0.61 -0.25 0.00 0.00 175.52 176.37 2vvc n GLY 128 N 1.26 2.71 0.21 5.82 0.00 -1.26 -5.05 105.19 108.88 2vvc n GLY 128 Ca 0.05 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.38 2vvc n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vvc h PRO 129 N 0.00 0.00 -2.14 1.61 0.13 -1.98 -3.36 132.00 126.26 2vvc h PRO 129 Ca -0.23 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.33 2vvc h PRO 129 Cb 1.09 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.81 2vvc h PRO 129 CO 0.32 0.27 -0.79 0.66 -0.23 0.00 0.00 178.00 178.22 2vvc n TYR 130 N -3.49 2.38 -2.17 1.56 4.01 -1.26 -5.03 117.16 113.16 2vvc n TYR 130 Ca -0.00 -3.95 -0.41 0.00 -0.16 0.00 0.00 57.90 53.38 2vvc n TYR 130 Cb 0.43 -0.48 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 2vvc n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2vvc s PRO 131 N -2.34 4.39 0.59 -0.72 0.04 -1.26 -4.96 135.00 130.74 2vvc s PRO 131 Ca 0.40 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 2vvc s PRO 131 Cb 0.20 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.58 2vvc s PRO 131 CO -0.07 -0.16 0.80 0.00 0.04 0.00 0.00 177.00 177.61 2vvc n GLY 133 N 1.47 0.44 3.45 0.00 0.00 -1.26 -5.00 105.19 104.29 2vvc n GLY 133 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2vvc n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvc s LYS 134 N -0.45 3.23 0.61 1.61 -0.14 -1.16 -5.10 119.74 118.34 2vvc s LYS 134 Ca 0.00 -0.63 -0.19 0.00 -1.36 0.00 0.00 55.97 53.79 2vvc s LYS 134 Cb 0.00 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 2vvc s LYS 134 CO 0.00 0.35 1.29 -0.65 -0.76 0.00 0.00 175.35 175.57 2vvc s GLN 135 N 0.02 2.82 -0.17 1.68 -0.21 -1.26 -4.93 119.66 117.61 2vvc s GLN 135 Ca -0.03 2.04 -0.08 0.00 0.02 0.00 0.00 55.36 57.32 2vvc s GLN 135 Cb -0.14 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 2vvc s GLN 135 CO 0.04 -1.38 0.11 0.95 -2.12 0.00 0.00 175.29 172.88 2vvc s THR 136 N -1.42 5.22 0.21 -0.19 -4.23 -1.26 -5.09 115.64 108.88 2vvc s THR 136 Ca 0.78 0.11 0.10 0.00 -1.18 0.00 0.00 61.69 61.51 2vvc s THR 136 Cb -0.36 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2vvc s THR 136 CO 0.40 0.50 -0.13 -0.76 -0.54 0.00 0.00 174.62 174.09 2vvc s LEU 137 N -0.06 2.84 0.00 4.79 1.43 -1.26 -5.12 118.68 121.31 2vvc s LEU 137 Ca 0.09 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2vvc s LEU 137 Cb -0.12 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2vvc s LEU 137 CO 0.00 0.08 0.00 -0.62 0.23 0.00 0.00 176.35 176.04 2vvc n GLU 138 N -0.19 0.00 0.00 1.70 1.02 -1.26 -5.18 120.64 116.73 2vvc n GLU 138 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2vvc n GLU 138 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 2vvc n GLU 138 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18