#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 6.12 -0.03 1.61 1.04 -1.26 -4.97 113.70 116.21 2epu s SER 94 Ca 0.00 2.26 -0.21 0.00 0.48 0.00 0.00 55.95 58.48 2epu s SER 94 Cb 0.00 -2.60 -0.29 0.00 0.10 0.00 0.00 66.02 63.23 2epu s SER 94 CO 0.00 -0.95 0.96 -1.28 0.98 0.00 0.00 173.24 172.95 2epu h SER 95 N 1.90 0.50 -2.60 7.02 0.87 -2.12 -3.44 113.55 115.68 2epu h SER 95 Ca -0.49 -0.90 -0.36 0.00 -1.23 0.00 0.00 61.79 58.81 2epu h SER 95 Cb 1.25 -0.16 -0.37 0.00 -0.44 0.00 0.00 62.40 62.68 2epu h SER 95 CO 0.60 1.35 -0.66 -0.83 -0.53 0.00 0.00 176.83 176.75 2epu s GLY 96 N -4.33 0.09 0.75 5.77 0.00 -1.26 -5.15 107.32 103.20 2epu s GLY 96 Ca -0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 2epu s GLY 96 CO 0.83 2.13 1.08 -0.56 0.00 0.00 0.00 173.10 176.58 2epu s SER 97 N 2.28 4.81 -0.14 1.64 0.01 -1.26 -5.05 113.70 115.99 2epu s SER 97 Ca 0.07 1.69 0.02 0.00 1.31 0.00 0.00 55.95 59.04 2epu s SER 97 Cb -0.16 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2epu s SER 97 CO -0.16 -1.82 -0.21 -0.94 0.41 0.00 0.00 173.24 170.52 2epu s SER 98 N -3.59 3.01 0.00 2.44 1.04 -1.26 -5.06 113.70 110.28 2epu s SER 98 Ca 0.60 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2epu s SER 98 Cb -0.16 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2epu s SER 98 CO 0.56 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.45 2epu n GLY 99 N 4.15 4.39 0.00 7.32 0.00 -1.26 -5.02 105.19 114.78 2epu n GLY 99 Ca -0.20 -1.29 0.01 0.00 0.00 0.00 0.00 46.02 44.54 2epu n GLY 99 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2epu n THR 100 N -1.59 0.00 0.00 2.61 5.66 -1.26 -5.13 114.28 114.57 2epu n THR 100 Ca 0.00 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2epu n THR 100 Cb 0.00 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 69.53 2epu n THR 100 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2epu n GLY 101 N 1.69 1.89 3.20 1.09 0.00 -1.26 -5.05 105.19 106.75 2epu n GLY 101 Ca 0.00 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.43 1.88 0.22 1.61 0.00 -1.26 -5.14 119.66 114.53 2epu s GLN 102 Ca 0.00 -0.73 0.11 0.00 -0.00 0.00 0.00 55.36 54.74 2epu s GLN 102 Cb 0.00 -1.71 -0.05 0.00 0.00 0.00 0.00 33.01 31.26 2epu s GLN 102 CO 0.00 0.37 -0.20 0.15 0.00 0.00 0.00 175.29 175.61 2epu s LYS 103 N -0.26 1.66 0.00 9.60 1.02 -1.26 -5.01 119.74 125.49 2epu s LYS 103 Ca 0.02 -1.56 0.15 0.00 0.02 0.00 0.00 55.97 54.60 2epu s LYS 103 Cb -0.10 -1.88 0.72 0.00 -0.52 0.00 0.00 37.83 36.05 2epu s LYS 103 CO 0.01 0.38 1.42 -0.35 -0.92 0.00 0.00 175.35 175.89 2epu n PRO 104 N -0.05 0.16 -3.35 -1.68 -0.04 -1.26 -4.42 135.00 124.36 2epu n PRO 104 Ca -0.10 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 2epu n PRO 104 Cb 0.57 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.67 -0.80 0.04 0.54 0.08 -1.26 -4.92 117.98 108.99 2epu s PHE 105 Ca 0.12 0.59 0.08 0.00 0.12 0.00 0.00 56.93 57.84 2epu s PHE 105 Cb 0.10 -0.08 -0.03 0.00 -0.57 0.00 0.00 43.02 42.44 2epu s PHE 105 CO 0.23 -0.79 -0.22 -2.00 -0.10 0.00 0.00 175.22 172.35 2epu s GLU 106 N 2.52 1.47 -1.28 0.44 2.12 -1.26 -0.46 118.70 122.24 2epu s GLU 106 Ca 0.11 -0.95 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 2epu s GLU 106 Cb -0.15 -1.58 0.15 0.00 0.26 0.00 0.00 34.13 32.82 2epu s GLU 106 CO -0.20 0.41 1.80 0.00 -0.54 0.00 0.00 175.26 176.72 2epu n THR 108 N 3.88 0.00 0.08 0.00 5.66 -1.26 0.63 114.28 123.27 2epu n THR 108 Ca 0.40 1.22 -0.14 0.00 -3.05 0.00 0.00 64.05 62.49 2epu n THR 108 Cb 0.38 -2.04 -0.07 0.00 -1.55 0.00 0.00 70.33 67.05 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 -1.14 0.00 1.09 3.86 -1.97 -3.38 115.15 113.61 2epu h HIS 109 Ca 0.76 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.91 2epu h HIS 109 Cb 3.10 0.49 -0.02 0.00 1.06 0.00 0.00 27.41 32.05 2epu h HIS 109 CO 0.00 -0.49 -1.37 0.00 0.86 0.00 0.00 177.93 176.93 2epu n GLY 111 N 3.04 0.64 3.64 0.00 0.00 0.20 -5.04 105.19 107.67 2epu n GLY 111 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 4.00 0.35 1.61 2.47 -1.25 -4.64 119.74 122.28 2epu s LYS 112 Ca 0.00 1.46 -0.03 0.00 -1.56 0.00 0.00 55.97 55.84 2epu s LYS 112 Cb 0.00 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.45 2epu s LYS 112 CO 0.00 -1.02 0.60 -1.54 0.16 0.00 0.00 175.35 173.55 2epu s SER 113 N 2.79 6.36 0.22 1.43 1.04 -1.26 0.18 113.70 124.45 2epu s SER 113 Ca 0.59 0.68 -0.08 0.00 0.48 0.00 0.00 55.95 57.61 2epu s SER 113 Cb -0.20 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.77 2epu s SER 113 CO 0.22 -0.31 0.33 -0.36 0.98 0.00 0.00 173.24 174.09 2epu s PHE 114 N -2.30 0.64 -0.16 5.02 0.40 0.40 -4.96 117.98 117.02 2epu s PHE 114 Ca 0.43 -0.95 -0.18 0.00 -0.60 0.00 0.00 56.93 55.63 2epu s PHE 114 Cb -0.10 -0.11 -0.23 0.00 0.51 0.00 0.00 43.02 43.09 2epu s PHE 114 CO 0.35 -0.83 0.38 0.00 0.70 0.00 0.00 175.22 175.82 2epu h ARG 115 N 2.43 0.11 -6.64 0.44 3.08 -1.99 -3.35 114.38 108.47 2epu h ARG 115 Ca -0.30 -0.19 -0.66 0.00 0.07 0.00 0.00 59.98 58.90 2epu h ARG 115 Cb 1.25 0.07 -0.17 0.00 0.08 0.00 0.00 29.97 31.19 2epu h ARG 115 CO 0.44 1.09 -0.78 0.00 -1.07 0.00 0.00 179.97 179.64 2epu s ALA 116 N -2.41 2.74 0.11 0.04 0.00 -1.26 -4.75 121.76 116.23 2epu s ALA 116 Ca -0.24 -1.40 -0.35 0.00 0.00 0.00 0.00 51.96 49.96 2epu s ALA 116 Cb 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 23.12 22.37 2epu s ALA 116 CO 0.68 0.55 1.55 -0.22 0.00 0.00 0.00 175.76 178.32 2epu h LYS 117 N 3.48 -0.69 -0.74 0.00 1.63 -1.92 -2.81 116.57 115.51 2epu h LYS 117 Ca -0.49 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.43 2epu h LYS 117 Cb 1.18 0.16 -0.09 0.00 -0.60 0.00 0.00 32.23 32.88 2epu h LYS 117 CO 0.48 -0.46 -0.46 0.78 -3.45 0.00 0.00 179.45 176.34 2epu h GLY 118 N -0.72 -1.24 -1.00 5.01 0.00 -1.98 0.24 103.07 103.39 2epu h GLY 118 Ca 0.00 0.87 0.17 0.00 0.00 0.00 0.00 47.33 48.37 2epu h GLY 118 CO -0.33 -0.19 -0.35 3.43 0.00 0.00 0.00 176.54 179.10 2epu h ASN 119 N -0.03 -1.30 -0.13 0.19 2.35 -1.93 0.26 115.58 114.98 2epu h ASN 119 Ca 0.12 0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 56.17 2epu h ASN 119 Cb 0.34 0.72 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2epu h ASN 119 CO -0.72 -0.30 0.05 0.25 -1.65 0.00 0.00 177.43 175.07 2epu h LEU 120 N -0.00 0.18 -0.64 1.61 5.85 -0.73 -2.87 115.31 118.71 2epu h LEU 120 Ca 0.38 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 59.07 2epu h LEU 120 Cb 0.63 -0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 2epu h LEU 120 CO -1.00 0.29 -0.15 0.58 -0.34 0.00 0.00 178.44 177.82 2epu h VAL 121 N 0.06 0.37 -0.59 1.05 2.07 0.26 0.31 116.25 119.77 2epu h VAL 121 Ca 0.04 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 2epu h VAL 121 Cb 0.17 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2epu h VAL 121 CO -0.00 0.00 0.39 0.74 0.02 0.00 0.00 177.57 178.72 2epu h THR 122 N 0.01 1.08 -0.06 2.57 2.02 -0.96 -2.53 112.91 115.04 2epu h THR 122 Ca 0.31 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2epu h THR 122 Cb 0.47 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2epu h THR 122 CO -0.65 0.13 -0.01 -0.74 0.37 0.00 0.00 175.52 174.62 2epu h HIS 123 N 0.69 0.12 -0.97 3.16 6.17 -0.23 -2.96 115.15 121.14 2epu h HIS 123 Ca 0.23 -0.02 0.24 0.00 0.71 0.00 0.00 60.37 61.53 2epu h HIS 123 Cb 0.08 -0.03 -0.07 0.00 2.52 0.00 0.00 27.41 29.90 2epu h HIS 123 CO -0.00 0.41 0.64 1.96 0.71 0.00 0.00 177.93 181.65 2epu h GLN 124 N -0.20 0.36 -0.12 5.26 4.20 -0.72 0.26 115.11 124.14 2epu h GLN 124 Ca 0.02 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2epu h GLN 124 Cb 0.36 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2epu h GLN 124 CO 0.00 0.24 0.52 0.00 -0.67 0.00 0.00 178.83 178.92 2epu h ARG 125 N 0.37 0.00 -0.11 1.46 3.08 -1.33 0.56 114.38 118.41 2epu h ARG 125 Ca 0.52 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.42 2epu h ARG 125 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2epu h ARG 125 CO -0.21 0.00 -0.59 -0.84 -1.07 0.00 0.00 179.97 177.26 2epu h ILE 126 N 0.00 1.36 0.15 2.04 3.07 -0.64 0.57 117.51 124.06 2epu h ILE 126 Ca 0.06 -1.92 -0.01 0.00 1.55 0.00 0.00 64.86 64.55 2epu h ILE 126 Cb 1.09 1.92 0.00 0.00 -0.27 0.00 0.00 36.82 39.57 2epu h ILE 126 CO -0.00 0.58 -0.07 0.45 -1.05 0.00 0.00 178.15 178.06 2epu h HIS 127 N 0.28 -0.19 -0.04 0.16 3.86 -0.02 -3.39 115.15 115.82 2epu h HIS 127 Ca -0.00 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2epu h HIS 127 Cb 1.11 0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.65 2epu h HIS 127 CO 0.03 -0.12 -0.35 0.00 0.86 0.00 0.00 177.93 178.35 2epu h THR 128 N -0.55 1.46 -6.79 2.45 1.03 -1.66 -3.47 112.91 105.39 2epu h THR 128 Ca -0.02 -1.85 -0.53 0.00 -0.01 0.00 0.00 66.41 64.00 2epu h THR 128 Cb 0.15 2.50 -0.30 0.00 -1.07 0.00 0.00 68.15 69.43 2epu h THR 128 CO 0.03 0.53 -0.77 0.61 -0.01 0.00 0.00 175.52 175.90 2epu n GLY 129 N 0.86 -0.42 2.07 2.99 0.00 0.20 -4.80 105.19 106.08 2epu n GLY 129 Ca -0.09 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2epu n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2epu n GLU 130 N -3.92 3.25 0.01 1.61 1.02 -1.26 -4.74 120.64 116.62 2epu n GLU 130 Ca 0.09 -3.86 -0.09 0.00 -0.02 0.00 0.00 57.16 53.29 2epu n GLU 130 Cb 0.47 -2.26 -0.07 0.00 -0.02 0.00 0.00 31.44 29.56 2epu n GLU 130 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2epu h LYS 131 N 2.07 -0.13 -5.85 3.49 3.64 -1.93 -3.45 116.57 114.40 2epu h LYS 131 Ca 0.43 0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 59.15 2epu h LYS 131 Cb 1.32 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 33.07 2epu h LYS 131 CO 0.99 0.29 -0.55 -1.54 -2.27 0.00 0.00 179.45 176.37 2epu s SER 132 N -5.61 5.83 0.03 4.20 1.04 -1.26 -4.95 113.70 112.97 2epu s SER 132 Ca -0.10 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2epu s SER 132 Cb -0.00 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.36 2epu s SER 132 CO 0.38 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.57 2epu n GLY 133 N 1.77 -1.67 0.00 7.32 0.00 -1.26 -4.92 105.19 106.42 2epu n GLY 133 Ca -0.17 0.40 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2epu n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2epu n PRO 134 N -2.55 0.35 -1.99 1.61 -0.04 -1.26 -4.71 135.00 126.40 2epu n PRO 134 Ca 0.00 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 2epu n PRO 134 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2epu n PRO 134 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2epu s SER 135 N -2.29 5.79 0.12 3.54 0.01 -1.26 -4.98 113.70 114.63 2epu s SER 135 Ca 0.19 1.19 0.05 0.00 1.31 0.00 0.00 55.95 58.69 2epu s SER 135 Cb 0.10 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2epu s SER 135 CO 0.21 -1.81 0.08 -0.94 0.41 0.00 0.00 173.24 171.19 2epu s SER 136 N 6.45 5.38 0.00 2.44 1.04 -1.26 -5.17 113.70 122.58 2epu s SER 136 Ca 0.79 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2epu s SER 136 Cb -0.21 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.53 2epu s SER 136 CO 0.32 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.27