#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2epu s SER 94 N 0.00 0.72 -0.49 1.61 1.04 -1.26 -5.11 113.70 110.22 2epu s SER 94 Ca 0.00 0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 2epu s SER 94 Cb 0.00 0.44 0.13 0.00 0.10 0.00 0.00 66.02 66.69 2epu s SER 94 CO 0.00 -0.26 0.29 -0.94 0.98 0.00 0.00 173.24 173.31 2epu s SER 95 N 2.34 5.19 0.00 7.02 1.04 -1.26 -4.68 113.70 123.36 2epu s SER 95 Ca 0.03 -2.39 0.00 0.00 0.48 0.00 0.00 55.95 54.07 2epu s SER 95 Cb -0.13 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2epu s SER 95 CO -0.08 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2epu n GLY 96 N 4.10 0.19 3.53 7.32 0.00 -1.26 -5.13 105.19 113.94 2epu n GLY 96 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2epu n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2epu n SER 97 N 0.00 -0.38 -4.59 1.61 7.64 -1.26 -4.95 113.62 111.68 2epu n SER 97 Ca 0.00 0.71 -0.28 0.00 1.01 0.00 0.00 58.87 60.30 2epu n SER 97 Cb 0.00 -1.28 0.21 0.00 -1.01 0.00 0.00 64.21 62.14 2epu n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2epu s SER 98 N -1.34 1.80 0.00 6.43 1.04 -1.26 -4.96 113.70 115.41 2epu s SER 98 Ca 0.71 1.27 0.00 0.00 0.48 0.00 0.00 55.95 58.41 2epu s SER 98 Cb -0.40 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2epu s SER 98 CO 0.52 -3.65 0.00 0.61 0.98 0.00 0.00 173.24 171.70 2epu n GLY 99 N -0.31 -0.20 0.00 7.32 0.00 -1.26 -4.95 105.19 105.79 2epu n GLY 99 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2epu n GLY 99 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2epu n THR 100 N 3.45 0.00 0.00 2.61 -2.24 -1.26 -5.10 114.28 111.74 2epu n THR 100 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2epu n THR 100 Cb 0.00 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2epu n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2epu n GLY 101 N 2.09 3.75 3.83 3.38 0.00 -1.26 -5.15 105.19 111.82 2epu n GLY 101 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2epu n GLY 101 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2epu s GLN 102 N -2.10 3.16 0.47 1.61 -2.07 -1.26 -5.06 119.66 114.41 2epu s GLN 102 Ca 0.00 0.95 -0.03 0.00 -1.82 0.00 0.00 55.36 54.45 2epu s GLN 102 Cb 0.00 -2.02 -0.02 0.00 -1.09 0.00 0.00 33.01 29.88 2epu s GLN 102 CO 0.00 -0.92 0.74 0.15 -1.32 0.00 0.00 175.29 173.94 2epu s LYS 103 N -4.90 3.35 0.00 9.60 3.01 -1.26 -4.97 119.74 124.57 2epu s LYS 103 Ca 0.58 -0.06 0.15 0.00 -1.01 0.00 0.00 55.97 55.63 2epu s LYS 103 Cb -0.13 -2.45 0.74 0.00 -1.01 0.00 0.00 37.83 34.98 2epu s LYS 103 CO 0.51 -0.22 1.41 -0.35 0.51 0.00 0.00 175.35 177.21 2epu n PRO 104 N -2.19 0.20 -3.41 -1.68 -0.04 -1.26 -4.38 135.00 122.24 2epu n PRO 104 Ca 0.00 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 2epu n PRO 104 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 2epu n PRO 104 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2epu s PHE 105 N -2.60 -0.54 0.06 0.54 0.08 -1.26 -4.92 117.98 109.36 2epu s PHE 105 Ca 0.14 0.21 0.09 0.00 0.12 0.00 0.00 56.93 57.48 2epu s PHE 105 Cb 0.10 -0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.22 2epu s PHE 105 CO 0.23 -0.79 -0.24 -2.00 -0.10 0.00 0.00 175.22 172.32 2epu s GLU 106 N 2.41 1.50 -1.20 0.44 2.12 -1.26 -0.40 118.70 122.31 2epu s GLU 106 Ca 0.09 -1.08 -0.13 0.00 0.36 0.00 0.00 54.97 54.22 2epu s GLU 106 Cb -0.15 -1.71 0.19 0.00 0.26 0.00 0.00 34.13 32.72 2epu s GLU 106 CO -0.23 0.43 1.40 0.00 -0.54 0.00 0.00 175.26 176.32 2epu n THR 108 N 4.35 -0.34 -0.17 0.00 5.66 -1.26 0.15 114.28 122.66 2epu n THR 108 Ca 0.35 1.68 -0.06 0.00 -3.05 0.00 0.00 64.05 62.97 2epu n THR 108 Cb 0.42 -2.70 -0.05 0.00 -1.55 0.00 0.00 70.33 66.45 2epu n THR 108 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2epu h HIS 109 N 0.00 -0.96 0.00 1.09 3.86 -1.98 -3.35 115.15 113.81 2epu h HIS 109 Ca 0.68 0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 59.73 2epu h HIS 109 Cb 1.78 0.47 -0.04 0.00 1.06 0.00 0.00 27.41 30.68 2epu h HIS 109 CO -0.04 -0.22 -1.81 0.00 0.86 0.00 0.00 177.93 176.72 2epu n GLY 111 N 2.55 0.65 3.63 0.00 0.00 0.41 -5.03 105.19 107.40 2epu n GLY 111 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 2epu n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2epu s LYS 112 N 0.00 3.85 0.45 1.61 2.47 -1.24 -4.54 119.74 122.34 2epu s LYS 112 Ca 0.00 1.74 -0.02 0.00 -1.56 0.00 0.00 55.97 56.13 2epu s LYS 112 Cb 0.00 -4.03 -0.02 0.00 -1.46 0.00 0.00 37.83 32.33 2epu s LYS 112 CO 0.00 -1.23 0.70 -1.54 0.16 0.00 0.00 175.35 173.44 2epu s SER 113 N 4.11 6.04 0.24 1.43 1.04 -1.26 0.18 113.70 125.48 2epu s SER 113 Ca 0.72 0.55 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 2epu s SER 113 Cb -0.26 -1.87 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 2epu s SER 113 CO 0.29 -0.61 0.46 -0.36 0.98 0.00 0.00 173.24 174.01 2epu s PHE 114 N -2.59 0.39 -0.12 5.02 0.40 0.47 -4.95 117.98 116.60 2epu s PHE 114 Ca 0.46 -0.75 -0.13 0.00 -0.60 0.00 0.00 56.93 55.92 2epu s PHE 114 Cb -0.10 0.16 -0.26 0.00 0.51 0.00 0.00 43.02 43.33 2epu s PHE 114 CO 0.40 -0.98 0.47 -0.09 0.70 0.00 0.00 175.22 175.72 2epu h ARG 115 N 2.27 0.24 -6.42 0.44 9.65 -1.99 -3.35 114.38 115.22 2epu h ARG 115 Ca -0.26 -0.41 -0.61 0.00 -1.10 0.00 0.00 59.98 57.60 2epu h ARG 115 Cb 1.25 0.15 -0.20 0.00 -1.39 0.00 0.00 29.97 29.78 2epu h ARG 115 CO 0.36 1.20 -0.82 0.00 2.80 0.00 0.00 179.97 183.50 2epu s ALA 116 N -2.50 2.23 0.04 2.80 0.00 -1.26 -4.76 121.76 118.30 2epu s ALA 116 Ca -0.21 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.15 2epu s ALA 116 Cb 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2epu s ALA 116 CO 0.76 0.39 1.17 -0.22 0.00 0.00 0.00 175.76 177.86 2epu h LYS 117 N 3.53 -0.18 -0.24 0.00 3.64 -1.92 -2.92 116.57 118.49 2epu h LYS 117 Ca -0.46 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 2epu h LYS 117 Cb 1.19 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2epu h LYS 117 CO 0.45 -0.12 -0.14 0.41 -2.27 0.00 0.00 179.45 177.78 2epu n GLY 118 N -1.14 -2.10 0.30 5.01 0.00 -1.26 0.51 105.19 106.52 2epu n GLY 118 Ca -0.02 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.62 2epu n GLY 118 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2epu n ASN 119 N -3.45 -0.28 0.04 1.61 2.85 -1.13 0.07 115.26 114.99 2epu n ASN 119 Ca 0.00 1.43 -0.13 0.00 -0.11 0.00 0.00 54.58 55.78 2epu n ASN 119 Cb 0.06 -0.44 -0.09 0.00 1.24 0.00 0.00 39.78 40.55 2epu n ASN 119 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2epu h LEU 120 N 0.00 -0.11 -0.92 1.20 5.85 0.24 -3.03 115.31 118.54 2epu h LEU 120 Ca 0.41 -0.36 0.27 0.00 0.84 0.00 0.00 57.88 59.04 2epu h LEU 120 Cb 0.66 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.56 2epu h LEU 120 CO -0.85 0.32 0.23 0.58 -0.34 0.00 0.00 178.44 178.38 2epu h VAL 121 N -0.58 0.21 -0.25 1.05 2.07 0.30 0.99 116.25 120.04 2epu h VAL 121 Ca -0.01 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2epu h VAL 121 Cb 0.47 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2epu h VAL 121 CO 0.02 0.03 -0.13 0.74 0.02 0.00 0.00 177.57 178.25 2epu h THR 122 N 0.14 1.22 -0.14 2.57 2.02 -1.03 -2.99 112.91 114.70 2epu h THR 122 Ca 0.60 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2epu h THR 122 Cb 1.28 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2epu h THR 122 CO -0.73 0.31 -0.02 -0.74 0.37 0.00 0.00 175.52 174.70 2epu h HIS 123 N 0.39 0.29 -0.94 3.16 6.17 0.11 -2.93 115.15 121.40 2epu h HIS 123 Ca 0.07 -0.06 0.24 0.00 0.71 0.00 0.00 60.37 61.33 2epu h HIS 123 Cb 0.46 -0.07 -0.06 0.00 2.52 0.00 0.00 27.41 30.25 2epu h HIS 123 CO 0.01 0.53 0.64 1.96 0.71 0.00 0.00 177.93 181.78 2epu h GLN 124 N -0.03 0.26 0.00 5.26 4.20 -1.07 0.27 115.11 124.00 2epu h GLN 124 Ca 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2epu h GLN 124 Cb 0.43 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2epu h GLN 124 CO 0.01 0.17 0.37 0.00 -0.67 0.00 0.00 178.83 178.72 2epu h ARG 125 N 0.27 0.00 -0.00 1.46 3.08 -1.46 0.54 114.38 118.26 2epu h ARG 125 Ca 0.49 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.37 2epu h ARG 125 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 2epu h ARG 125 CO -0.14 0.00 -0.79 -0.84 -1.07 0.00 0.00 179.97 177.13 2epu h ILE 126 N 0.00 1.54 0.01 2.04 3.07 -0.62 -3.31 117.51 120.24 2epu h ILE 126 Ca 0.00 -2.63 -0.00 0.00 1.55 0.00 0.00 64.86 63.78 2epu h ILE 126 Cb 0.74 2.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.72 2epu h ILE 126 CO 0.00 0.75 -0.01 0.45 -1.05 0.00 0.00 178.15 178.30 2epu h HIS 127 N 0.03 -0.02 -1.27 0.16 3.86 -0.08 -3.46 115.15 114.38 2epu h HIS 127 Ca -0.01 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.67 2epu h HIS 127 Cb 1.39 0.01 0.12 0.00 1.06 0.00 0.00 27.41 29.99 2epu h HIS 127 CO 0.01 0.77 -0.71 0.25 0.86 0.00 0.00 177.93 179.11 2epu n THR 128 N -4.70 0.80 -2.04 2.45 -2.24 -1.11 -4.75 114.28 102.70 2epu n THR 128 Ca -0.09 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 2epu n THR 128 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2epu n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2epu n GLY 129 N 1.88 4.63 0.58 3.38 0.00 -1.26 -4.37 105.19 110.03 2epu n GLY 129 Ca 0.11 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 2epu n GLY 129 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2epu n GLU 130 N 4.69 0.12 -0.09 1.61 0.28 -1.26 -3.33 120.64 122.66 2epu n GLU 130 Ca 0.47 0.04 -0.10 0.00 -0.16 0.00 0.00 57.16 57.41 2epu n GLU 130 Cb 0.37 -0.82 -0.03 0.00 1.43 0.00 0.00 31.44 32.38 2epu n GLU 130 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2epu n LYS 131 N -3.06 0.50 -2.84 3.44 5.02 -1.26 -4.40 118.16 115.57 2epu n LYS 131 Ca -0.10 0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 2epu n LYS 131 Cb 0.58 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 2epu n LYS 131 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2epu s SER 132 N -6.02 6.40 -0.06 4.39 0.01 -1.26 -4.25 113.70 112.91 2epu s SER 132 Ca -0.28 -1.47 -0.00 0.00 1.31 0.00 0.00 55.95 55.51 2epu s SER 132 Cb 0.05 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 2epu s SER 132 CO 0.41 -1.31 0.05 0.61 0.41 0.00 0.00 173.24 173.42 2epu n GLY 133 N 5.59 0.49 3.77 3.44 0.00 -1.26 -4.75 105.19 112.46 2epu n GLY 133 Ca 0.13 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2epu n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2epu s PRO 134 N -3.06 2.29 0.35 1.61 0.04 -1.26 -4.55 135.00 130.42 2epu s PRO 134 Ca 0.02 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.27 2epu s PRO 134 Cb -0.00 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2epu s PRO 134 CO 0.05 -1.62 0.54 0.45 0.04 0.00 0.00 177.00 176.46 2epu s SER 135 N -3.33 6.17 0.16 6.66 0.15 -1.21 -4.99 113.70 117.32 2epu s SER 135 Ca 0.62 0.30 -0.27 0.00 0.70 0.00 0.00 55.95 57.30 2epu s SER 135 Cb -0.17 -1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 62.29 2epu s SER 135 CO 0.55 -0.36 1.45 -1.20 1.20 0.00 0.00 173.24 174.88 2epu n SER 136 N -1.78 -0.94 0.00 5.45 7.64 -1.26 -5.10 113.62 117.63 2epu n SER 136 Ca -0.04 1.67 0.00 0.00 1.01 0.00 0.00 58.87 61.52 2epu n SER 136 Cb 0.57 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2epu n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64