#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vwm n LYS 87 N 0.00 0.00 -4.02 -0.14 5.02 -1.26 -4.98 118.16 112.78 2vwm n LYS 87 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2vwm n LYS 87 Cb 0.00 -0.71 -0.12 0.00 -0.02 0.00 0.00 35.03 34.18 2vwm n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vwm s LEU 88 N 4.71 2.16 0.52 -0.35 1.43 -1.26 -4.47 118.68 121.42 2vwm s LEU 88 Ca 0.34 -0.35 0.32 0.00 -1.03 0.00 0.00 54.13 53.40 2vwm s LEU 88 Cb -0.23 -0.07 1.23 0.00 0.03 0.00 0.00 46.19 47.15 2vwm s LEU 88 CO 0.53 -0.15 1.93 0.00 0.23 0.00 0.00 176.35 178.89 2vwm n SER 90 N -3.04 0.28 -4.19 0.00 3.41 -1.26 -2.84 113.62 105.97 2vwm n SER 90 Ca 0.01 -0.27 -0.34 0.00 -0.26 0.00 0.00 58.87 58.00 2vwm n SER 90 Cb 0.33 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.97 2vwm n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vwm s LEU 91 N -2.62 3.43 -0.98 1.04 1.43 -1.04 -4.65 118.68 115.29 2vwm s LEU 91 Ca 0.25 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2vwm s LEU 91 Cb 0.20 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.77 2vwm s LEU 91 CO 0.50 -0.17 0.16 0.47 0.23 0.00 0.00 176.35 177.54 2vwm n ASP 92 N 4.64 -3.39 -3.03 2.29 8.00 -1.26 -0.95 116.55 122.85 2vwm n ASP 92 Ca -0.15 0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.16 2vwm n ASP 92 Cb 0.46 -2.88 0.04 0.00 -0.02 0.00 0.00 41.12 38.71 2vwm n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vwm n ASN 93 N -1.92 -6.10 -1.46 -2.24 5.15 -1.13 -1.31 115.26 106.24 2vwm n ASN 93 Ca -0.08 -0.29 -0.19 0.00 -0.60 0.00 0.00 54.58 53.42 2vwm n ASN 93 Cb 0.57 -4.93 -0.08 0.00 -0.53 0.00 0.00 39.78 34.81 2vwm n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vwm n GLY 94 N -1.52 1.84 2.78 8.20 0.00 -0.13 -0.29 105.19 116.07 2vwm n GLY 94 Ca -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2vwm n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vwm n ASP 95 N -1.19 -5.41 -4.77 1.61 8.00 -0.43 -4.91 116.55 109.45 2vwm n ASP 95 Ca -0.19 0.05 -0.37 0.00 0.71 0.00 0.00 54.79 54.98 2vwm n ASP 95 Cb 0.64 -3.07 -0.02 0.00 -0.02 0.00 0.00 41.12 38.65 2vwm n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vwm h ASP 97 N 2.33 0.41 0.00 0.00 5.19 -1.63 -3.47 116.42 119.26 2vwm h ASP 97 Ca -0.49 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 55.57 2vwm h ASP 97 Cb 1.24 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2vwm h ASP 97 CO 0.61 1.17 0.00 0.00 -3.12 0.00 0.00 179.24 177.90 2vwm n GLN 98 N -3.67 0.00 -2.55 3.56 6.02 -1.26 -4.99 117.38 114.48 2vwm n GLN 98 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.53 2vwm n GLN 98 Cb 0.86 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 32.07 2vwm n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2vwm s PHE 99 N 2.04 3.68 -0.03 1.08 0.08 -0.43 -4.89 117.98 119.51 2vwm s PHE 99 Ca 0.00 1.76 0.05 0.00 0.12 0.00 0.00 56.93 58.86 2vwm s PHE 99 Cb 0.00 -3.20 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 2vwm s PHE 99 CO 0.00 -0.28 -0.20 0.00 -0.10 0.00 0.00 175.22 174.65 2vwm s HIS 101 N -0.20 0.50 -0.22 0.00 0.09 0.32 -5.00 115.29 110.77 2vwm s HIS 101 Ca 0.01 -0.98 -0.03 0.00 -0.00 0.00 0.00 55.06 54.05 2vwm s HIS 101 Cb -0.10 -0.32 -0.00 0.00 -0.00 0.00 0.00 32.58 32.15 2vwm s HIS 101 CO 0.01 -0.45 -0.06 -1.21 -0.00 0.00 0.00 174.74 173.03 2vwm s GLU 102 N -3.93 3.29 -0.03 1.40 2.02 -1.26 0.12 118.70 120.32 2vwm s GLU 102 Ca 0.10 -0.67 0.06 0.00 0.02 0.00 0.00 54.97 54.47 2vwm s GLU 102 Cb 0.07 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 2vwm s GLU 102 CO -0.08 -0.22 -0.19 -1.21 0.02 0.00 0.00 175.26 173.58 2vwm s GLU 103 N 1.45 1.75 -1.50 1.61 2.02 0.32 -4.68 118.70 119.67 2vwm s GLU 103 Ca 0.05 -0.70 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 2vwm s GLU 103 Cb -0.14 -1.61 0.06 0.00 0.10 0.00 0.00 34.13 32.54 2vwm s GLU 103 CO -0.04 0.36 0.66 1.04 0.02 0.00 0.00 175.26 177.30 2vwm n GLN 104 N 2.80 -3.91 -4.06 1.61 6.02 -1.26 -1.53 117.38 117.05 2vwm n GLN 104 Ca -0.16 0.46 -0.27 0.00 -0.01 0.00 0.00 57.00 57.02 2vwm n GLN 104 Cb 0.53 -4.95 -0.04 0.00 1.02 0.00 0.00 30.24 26.80 2vwm n GLN 104 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2vwm n ASN 105 N -2.88 -0.18 -3.74 1.08 4.13 -1.26 -4.95 115.26 107.46 2vwm n ASN 105 Ca -0.14 -1.07 -0.13 0.00 1.68 0.00 0.00 54.58 54.91 2vwm n ASN 105 Cb 0.60 -2.69 -0.08 0.00 -1.54 0.00 0.00 39.78 36.08 2vwm n ASN 105 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2vwm s SER 106 N -4.31 -0.22 0.08 6.41 0.15 -0.59 -5.05 113.70 110.17 2vwm s SER 106 Ca 0.05 0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 2vwm s SER 106 Cb -0.03 0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 2vwm s SER 106 CO 0.92 -0.48 1.08 -0.69 1.20 0.00 0.00 173.24 175.27 2vwm s VAL 107 N -1.47 4.29 -0.08 4.45 1.01 -1.26 -0.52 120.40 126.81 2vwm s VAL 107 Ca -0.12 1.74 0.02 0.00 0.00 0.00 0.00 61.98 63.62 2vwm s VAL 107 Cb -0.04 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2vwm s VAL 107 CO 0.04 0.19 -0.14 -0.69 0.00 0.00 0.00 175.10 174.50 2vwm s VAL 108 N 0.61 1.29 0.29 2.92 1.01 0.12 -4.92 120.40 121.73 2vwm s VAL 108 Ca 0.53 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2vwm s VAL 108 Cb -0.26 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2vwm s VAL 108 CO 0.30 0.40 0.49 0.00 0.00 0.00 0.00 175.10 176.29 2vwm n SER 110 N -1.33 -1.63 -4.06 0.00 3.41 -0.06 -4.97 113.62 104.98 2vwm n SER 110 Ca -0.05 -2.51 -0.08 0.00 -0.26 0.00 0.00 58.87 55.97 2vwm n SER 110 Cb 0.55 2.82 -0.10 0.00 -0.26 0.00 0.00 64.21 67.22 2vwm n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vwm s ALA 112 N -3.06 1.81 0.40 0.00 0.00 -1.26 -4.91 121.76 114.75 2vwm s ALA 112 Ca -0.00 0.74 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 2vwm s ALA 112 Cb 0.02 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 2vwm s ALA 112 CO -0.06 -2.31 0.95 -2.13 0.00 0.00 0.00 175.76 172.21 2vwm n ARG 113 N -3.47 1.25 -0.48 0.00 0.63 -1.26 -1.87 116.66 111.45 2vwm n ARG 113 Ca 0.13 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 2vwm n ARG 113 Cb 0.51 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.47 2vwm n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vwm n GLY 114 N 1.27 0.75 3.08 5.14 0.00 -1.26 -4.60 105.19 109.57 2vwm n GLY 114 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2vwm n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vwm s TYR 115 N -2.51 0.74 -0.07 1.61 1.51 -0.78 -1.55 117.35 116.30 2vwm s TYR 115 Ca 0.00 -0.50 0.04 0.00 -1.01 0.00 0.00 57.07 55.60 2vwm s TYR 115 Cb 0.00 -0.44 -0.02 0.00 -0.11 0.00 0.00 41.96 41.39 2vwm s TYR 115 CO 0.00 -0.07 -0.20 0.99 -1.11 0.00 0.00 175.55 175.17 2vwm s THR 116 N -1.40 2.53 0.15 -0.71 2.01 0.38 -4.81 115.64 113.78 2vwm s THR 116 Ca -0.09 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 2vwm s THR 116 Cb -0.10 -1.97 -0.08 0.00 0.01 0.00 0.00 72.50 70.36 2vwm s THR 116 CO 0.01 0.57 1.39 -0.22 -0.69 0.00 0.00 174.62 175.67 2vwm s LEU 117 N -0.23 4.38 0.93 4.42 2.96 -1.26 0.18 118.68 130.06 2vwm s LEU 117 Ca -0.00 2.39 -0.11 0.00 -0.22 0.00 0.00 54.13 56.19 2vwm s LEU 117 Cb -0.13 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.12 2vwm s LEU 117 CO 0.03 -0.64 1.12 0.00 -1.32 0.00 0.00 176.35 175.54 2vwm s ALA 118 N 0.78 1.27 0.40 5.97 0.00 0.26 -4.86 121.76 125.58 2vwm s ALA 118 Ca 0.63 0.40 0.11 0.00 0.00 0.00 0.00 51.96 53.09 2vwm s ALA 118 Cb -0.38 -3.38 0.91 0.00 0.00 0.00 0.00 23.12 20.28 2vwm s ALA 118 CO 0.33 -2.78 1.97 -0.44 0.00 0.00 0.00 175.76 174.84 2vwm h ASP 119 N -1.88 0.49 0.05 0.00 3.45 -1.93 0.50 116.42 117.09 2vwm h ASP 119 Ca -0.46 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.00 2vwm h ASP 119 Cb 1.27 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 2vwm h ASP 119 CO 0.45 0.30 0.00 -0.46 -1.57 0.00 0.00 179.24 177.96 2vwm n ASN 120 N -4.48 0.00 0.00 6.45 0.23 -1.26 -4.86 115.26 111.34 2vwm n ASN 120 Ca 0.10 -0.41 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 2vwm n ASN 120 Cb 0.32 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 2vwm n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vwm n GLY 121 N 0.01 0.36 0.93 4.83 0.00 0.17 -4.79 105.19 106.70 2vwm n GLY 121 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 2vwm n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vwm n LYS 122 N -1.44 0.06 -2.17 1.61 5.02 -1.26 -4.20 118.16 115.78 2vwm n LYS 122 Ca 0.00 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 2vwm n LYS 122 Cb 0.15 -0.59 -0.00 0.00 -0.02 0.00 0.00 35.03 34.57 2vwm n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vwm s ALA 123 N -2.06 2.79 -0.24 7.82 0.00 -1.26 -1.65 121.76 127.16 2vwm s ALA 123 Ca -0.03 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 2vwm s ALA 123 Cb 0.01 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2vwm s ALA 123 CO 0.05 -0.67 -0.08 0.00 0.00 0.00 0.00 175.76 175.06 2vwm s ILE 125 N 1.32 5.32 0.30 0.00 -1.09 0.13 -4.86 121.20 122.32 2vwm s ILE 125 Ca 0.01 0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.31 2vwm s ILE 125 Cb -0.16 -3.53 -0.10 0.00 -1.58 0.00 0.00 42.46 37.09 2vwm s ILE 125 CO -0.05 0.27 1.27 -2.84 -1.23 0.00 0.00 174.94 172.36 2vwm s PRO 126 N 1.62 4.41 0.01 2.79 0.02 -1.26 -0.47 135.00 142.11 2vwm s PRO 126 Ca 0.07 2.12 0.27 0.00 0.02 0.00 0.00 61.00 63.48 2vwm s PRO 126 Cb -0.15 -3.11 0.93 0.00 0.02 0.00 0.00 34.50 32.18 2vwm s PRO 126 CO 0.10 -0.13 1.72 0.25 -0.33 0.00 0.00 177.00 178.61 2vwm n THR 127 N 1.19 0.04 -4.04 0.99 -2.24 -0.60 -4.87 114.28 104.74 2vwm n THR 127 Ca 0.01 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 2vwm n THR 127 Cb 0.42 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 2vwm n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vwm s GLY 128 N -3.04 1.19 0.08 3.38 0.00 -1.26 -5.06 107.32 102.60 2vwm s GLY 128 Ca 0.13 -1.32 0.27 0.00 0.00 0.00 0.00 44.72 43.80 2vwm s GLY 128 CO 0.60 -0.86 1.76 -1.55 0.00 0.00 0.00 173.10 173.05 2vwm n PRO 129 N -0.52 0.12 -2.97 2.90 -0.04 -1.26 -4.13 135.00 129.10 2vwm n PRO 129 Ca -0.01 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 2vwm n PRO 129 Cb 0.61 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2vwm n PRO 129 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2vwm n TYR 130 N -1.82 1.89 -2.19 0.54 4.01 -1.26 -5.00 117.16 113.34 2vwm n TYR 130 Ca 0.06 -3.67 -0.35 0.00 -0.16 0.00 0.00 57.90 53.78 2vwm n TYR 130 Cb 0.38 -0.40 0.01 0.00 -0.31 0.00 0.00 39.34 39.02 2vwm n TYR 130 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2vwm s PRO 131 N -2.98 3.29 0.58 -0.72 0.04 -1.26 -4.94 135.00 129.01 2vwm s PRO 131 Ca 0.42 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 2vwm s PRO 131 Cb 0.35 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.81 2vwm s PRO 131 CO -0.09 -0.92 0.98 0.00 0.04 0.00 0.00 177.00 177.01 2vwm n GLY 133 N 1.26 0.35 3.50 0.00 0.00 -1.26 -4.98 105.19 104.05 2vwm n GLY 133 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2vwm n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vwm s LYS 134 N -0.62 3.53 0.39 1.61 -0.14 -1.20 -5.09 119.74 118.23 2vwm s LYS 134 Ca 0.00 -0.54 -0.27 0.00 -1.36 0.00 0.00 55.97 53.81 2vwm s LYS 134 Cb 0.00 -2.85 -0.09 0.00 -1.68 0.00 0.00 37.83 33.21 2vwm s LYS 134 CO 0.00 0.30 1.33 -0.65 -0.76 0.00 0.00 175.35 175.57 2vwm s GLN 135 N 0.20 4.02 -0.10 1.68 -0.21 -1.26 -4.93 119.66 119.05 2vwm s GLN 135 Ca -0.03 2.22 -0.22 0.00 0.02 0.00 0.00 55.36 57.35 2vwm s GLN 135 Cb -0.14 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 2vwm s GLN 135 CO 0.03 -0.47 0.67 0.95 -2.12 0.00 0.00 175.29 174.35 2vwm s THR 136 N -1.23 5.05 0.53 -0.19 -4.23 -1.26 -5.06 115.64 109.26 2vwm s THR 136 Ca 0.55 1.36 0.02 0.00 -1.18 0.00 0.00 61.69 62.44 2vwm s THR 136 Cb -0.39 -4.01 0.02 0.00 1.34 0.00 0.00 72.50 69.46 2vwm s THR 136 CO 0.51 0.22 0.14 0.18 -0.54 0.00 0.00 174.62 175.13 2vwm n LEU 137 N 4.08 0.00 -4.94 4.79 4.77 -1.26 -5.16 117.00 119.28 2vwm n LEU 137 Ca -0.02 -3.15 -0.23 0.00 -0.03 0.00 0.00 56.01 52.58 2vwm n LEU 137 Cb 0.51 0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 2vwm n LEU 137 CO 0.46 -0.51 0.12 -1.83 -1.33 0.00 0.00 177.39 174.31 2vwm s GLU 138 N -4.02 2.32 0.00 3.23 1.03 -1.26 -5.18 118.70 114.82 2vwm s GLU 138 Ca 0.11 -1.83 0.00 0.00 0.03 0.00 0.00 54.97 53.28 2vwm s GLU 138 Cb -0.01 -2.30 0.00 0.00 -0.80 0.00 0.00 34.13 31.02 2vwm s GLU 138 CO 0.07 -0.61 0.00 0.54 -1.33 0.00 0.00 175.26 173.93