#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 4.16 -0.22 1.61 0.01 -1.26 -5.13 113.70 112.88 2epu s SER 94 Ca 0.00 -1.13 -0.10 0.00 1.31 0.00 0.00 55.95 56.03 2epu s SER 94 Cb 0.00 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 2epu s SER 94 CO 0.00 -0.39 0.15 -0.94 0.41 0.00 0.00 173.24 172.46 2epu s SER 95 N -3.77 6.17 -0.67 2.44 1.04 -1.26 -4.49 113.70 113.16 2epu s SER 95 Ca 0.37 0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 2epu s SER 95 Cb 0.04 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.04 2epu s SER 95 CO 0.20 0.13 0.57 0.61 0.98 0.00 0.00 173.24 175.72 2epu n GLY 96 N 3.86 -0.18 3.72 7.32 0.00 -1.26 -4.94 105.19 113.72 2epu n GLY 96 Ca -0.15 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2epu n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2epu n SER 97 N -2.40 3.66 -0.24 1.61 3.41 -1.26 -4.88 113.62 113.52 2epu n SER 97 Ca -0.10 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 2epu n SER 97 Cb 0.59 -1.55 0.07 0.00 -0.26 0.00 0.00 64.21 63.06 2epu n SER 97 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2epu h SER 98 N 5.28 -0.72 -5.00 4.04 0.02 -1.99 -3.48 113.55 111.70 2epu h SER 98 Ca -0.46 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2epu h SER 98 Cb 1.23 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2epu h SER 98 CO 0.84 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 2epu n GLY 99 N -1.47 2.50 0.00 -3.77 0.00 -1.26 -4.98 105.19 96.21 2epu n GLY 99 Ca 0.09 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 1.23 0.00 0.00 2.61 5.66 -1.26 -5.13 114.28 117.40 2epu n THR 100 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2epu n THR 100 Cb 0.00 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 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 2.66 0.17 3.54 1.09 0.00 -1.26 -5.12 105.19 106.27 2epu n GLY 101 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 2epu n GLY 101 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2epu s GLN 102 N 0.00 0.92 0.26 1.61 0.74 -1.26 -5.18 119.66 116.75 2epu s GLN 102 Ca 0.00 0.22 0.09 0.00 0.05 0.00 0.00 55.36 55.72 2epu s GLN 102 Cb 0.00 0.43 -0.05 0.00 1.10 0.00 0.00 33.01 34.49 2epu s GLN 102 CO 0.00 -0.29 -0.13 0.15 -0.55 0.00 0.00 175.29 174.47 2epu s LYS 103 N -1.17 1.54 0.00 1.67 1.02 -1.26 -5.02 119.74 116.53 2epu s LYS 103 Ca -0.08 -1.73 0.15 0.00 0.02 0.00 0.00 55.97 54.33 2epu s LYS 103 Cb -0.00 -1.39 0.77 0.00 -0.52 0.00 0.00 37.83 36.70 2epu s LYS 103 CO 0.07 0.19 1.40 -0.35 -0.92 0.00 0.00 175.35 175.74 2epu n PRO 104 N -0.55 0.25 -3.47 -1.68 -0.04 -1.26 -4.39 135.00 123.86 2epu n PRO 104 Ca -0.06 0.12 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 2epu n PRO 104 Cb 0.61 -1.50 -0.12 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 -2.48 -0.27 0.00 0.54 0.08 -1.24 -4.96 117.98 109.65 2epu s PHE 105 Ca 0.15 0.04 0.06 0.00 0.12 0.00 0.00 56.93 57.31 2epu s PHE 105 Cb 0.10 -0.43 -0.02 0.00 -0.57 0.00 0.00 43.02 42.10 2epu s PHE 105 CO 0.22 -0.69 -0.19 -2.00 -0.10 0.00 0.00 175.22 172.45 2epu s GLU 106 N 2.32 1.46 -1.24 0.44 2.12 -1.26 0.32 118.70 122.86 2epu s GLU 106 Ca 0.08 -0.75 -0.09 0.00 0.36 0.00 0.00 54.97 54.56 2epu s GLU 106 Cb -0.15 -1.46 0.19 0.00 0.26 0.00 0.00 34.13 32.96 2epu s GLU 106 CO -0.19 0.39 1.74 0.00 -0.54 0.00 0.00 175.26 176.66 2epu n THR 108 N 3.23 -0.16 -0.20 0.00 5.66 -1.26 0.74 114.28 122.29 2epu n THR 108 Ca 0.37 1.46 -0.10 0.00 -3.05 0.00 0.00 64.05 62.73 2epu n THR 108 Cb 0.37 -2.40 -0.06 0.00 -1.55 0.00 0.00 70.33 66.69 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 -1.46 0.00 1.09 3.86 -1.97 -3.35 115.15 113.32 2epu h HIS 109 Ca 0.76 0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.95 2epu h HIS 109 Cb 2.60 0.71 -0.02 0.00 1.06 0.00 0.00 27.41 31.77 2epu h HIS 109 CO -0.00 -0.44 -1.38 0.00 0.86 0.00 0.00 177.93 176.96 2epu n GLY 111 N 3.05 0.27 3.64 0.00 0.00 0.23 -5.06 105.19 107.32 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 3.98 0.36 1.61 2.47 -1.24 -4.65 119.74 122.28 2epu s LYS 112 Ca 0.00 1.56 -0.01 0.00 -1.56 0.00 0.00 55.97 55.96 2epu s LYS 112 Cb 0.00 -3.91 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 2epu s LYS 112 CO 0.00 -1.05 0.59 -1.54 0.16 0.00 0.00 175.35 173.51 2epu s SER 113 N 3.08 6.30 0.15 1.43 1.04 -1.26 0.57 113.70 125.02 2epu s SER 113 Ca 0.62 0.55 -0.11 0.00 0.48 0.00 0.00 55.95 57.49 2epu s SER 113 Cb -0.22 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2epu s SER 113 CO 0.23 -0.33 0.32 -0.36 0.98 0.00 0.00 173.24 174.08 2epu s PHE 114 N -2.37 0.21 -0.11 5.02 0.40 0.15 -4.94 117.98 116.34 2epu s PHE 114 Ca 0.41 -0.58 -0.13 0.00 -0.60 0.00 0.00 56.93 56.03 2epu s PHE 114 Cb -0.10 0.04 -0.27 0.00 0.51 0.00 0.00 43.02 43.21 2epu s PHE 114 CO 0.37 -0.72 0.50 -0.09 0.70 0.00 0.00 175.22 175.98 2epu h ARG 115 N 2.51 0.25 -6.24 0.44 2.43 -1.99 -3.29 114.38 108.49 2epu h ARG 115 Ca -0.32 -0.43 -0.59 0.00 -0.81 0.00 0.00 59.98 57.83 2epu h ARG 115 Cb 1.23 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 30.82 2epu h ARG 115 CO 0.48 1.21 -0.71 0.00 -1.51 0.00 0.00 179.97 179.43 2epu s ALA 116 N -2.50 2.93 0.06 2.80 0.00 -1.26 -4.71 121.76 119.08 2epu s ALA 116 Ca -0.21 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 49.71 2epu s ALA 116 Cb 0.05 -0.52 -0.16 0.00 0.00 0.00 0.00 23.12 22.50 2epu s ALA 116 CO 0.76 0.29 1.46 -0.22 0.00 0.00 0.00 175.76 178.05 2epu h LYS 117 N 2.19 -0.95 -0.77 0.00 1.63 -1.93 -3.04 116.57 113.71 2epu h LYS 117 Ca -0.43 0.06 0.07 0.00 -0.85 0.00 0.00 60.65 59.51 2epu h LYS 117 Cb 1.25 0.22 -0.09 0.00 -0.60 0.00 0.00 32.23 33.00 2epu h LYS 117 CO 0.59 -0.63 -0.45 0.41 -3.45 0.00 0.00 179.45 175.92 2epu n GLY 118 N -1.51 -2.68 0.35 5.01 0.00 -1.26 -0.21 105.19 104.88 2epu n GLY 118 Ca -0.12 1.04 0.09 0.00 0.00 0.00 0.00 46.02 47.03 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 -4.73 -0.27 0.01 1.61 2.85 -1.21 -0.22 115.26 113.31 2epu n ASN 119 Ca 0.02 1.66 -0.13 0.00 -0.11 0.00 0.00 54.58 56.02 2epu n ASN 119 Cb 0.20 -0.54 -0.09 0.00 1.24 0.00 0.00 39.78 40.59 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 -0.04 -0.78 1.20 5.85 -0.48 -3.04 115.31 118.02 2epu h LEU 120 Ca 0.51 -0.38 0.18 0.00 0.84 0.00 0.00 57.88 59.03 2epu h LEU 120 Cb 0.89 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.79 2epu h LEU 120 CO -0.97 0.36 -0.03 0.58 -0.34 0.00 0.00 178.44 178.04 2epu h VAL 121 N -0.46 0.29 -0.40 1.05 2.07 0.25 0.61 116.25 119.66 2epu h VAL 121 Ca -0.01 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2epu h VAL 121 Cb 0.42 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2epu h VAL 121 CO 0.01 0.01 0.24 0.74 0.02 0.00 0.00 177.57 178.59 2epu h THR 122 N 0.08 1.11 -0.09 2.57 2.02 -1.04 -2.64 112.91 114.92 2epu h THR 122 Ca 0.42 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 2epu h THR 122 Cb 0.74 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2epu h THR 122 CO -0.71 0.12 -0.11 -0.74 0.37 0.00 0.00 175.52 174.45 2epu h HIS 123 N 0.55 0.28 -0.89 3.16 -0.00 0.26 -3.07 115.15 115.43 2epu h HIS 123 Ca 0.14 -0.09 0.24 0.00 -0.00 0.00 0.00 60.37 60.67 2epu h HIS 123 Cb -0.02 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.28 2epu h HIS 123 CO 0.00 0.68 0.62 1.96 -0.00 0.00 0.00 177.93 181.20 2epu h GLN 124 N -0.20 0.14 -0.27 5.26 4.20 -0.69 0.25 115.11 123.80 2epu h GLN 124 Ca 0.01 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.79 2epu h GLN 124 Cb 0.65 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2epu h GLN 124 CO 0.03 0.09 0.41 0.00 -0.67 0.00 0.00 178.83 178.68 2epu h ARG 125 N 0.14 0.00 -0.01 1.46 3.08 -1.41 0.39 114.38 118.02 2epu h ARG 125 Ca 0.44 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.37 2epu h ARG 125 Cb 1.52 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.55 2epu h ARG 125 CO -0.07 0.00 -0.57 -0.84 -1.07 0.00 0.00 179.97 177.42 2epu h ILE 126 N 0.00 1.40 0.02 2.04 3.07 -0.66 -3.28 117.51 120.10 2epu h ILE 126 Ca 0.13 -1.94 -0.00 0.00 1.55 0.00 0.00 64.86 64.59 2epu h ILE 126 Cb 0.94 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 2epu h ILE 126 CO -0.00 0.56 -0.01 0.45 -1.05 0.00 0.00 178.15 178.10 2epu h HIS 127 N 0.03 -0.02 -0.77 0.16 3.86 -0.38 -3.47 115.15 114.56 2epu h HIS 127 Ca -0.00 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.67 2epu h HIS 127 Cb 1.02 0.01 0.08 0.00 1.06 0.00 0.00 27.41 29.57 2epu h HIS 127 CO 0.00 0.71 -0.35 0.25 0.86 0.00 0.00 177.93 179.40 2epu n THR 128 N -4.69 1.35 -3.14 2.45 -2.24 -1.01 -4.84 114.28 102.16 2epu n THR 128 Ca -0.08 -0.34 -0.44 0.00 -2.27 0.00 0.00 64.05 60.93 2epu n THR 128 Cb 0.36 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.50 4.80 3.39 3.38 0.00 -1.26 -4.95 105.19 112.05 2epu n GLY 129 Ca 0.14 -2.64 -0.12 0.00 0.00 0.00 0.00 46.02 43.40 2epu n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2epu s GLU 130 N -2.22 0.55 -0.52 1.61 -1.05 -1.26 -5.11 118.70 110.71 2epu s GLU 130 Ca 0.31 0.75 0.04 0.00 -0.15 0.00 0.00 54.97 55.92 2epu s GLU 130 Cb -0.01 0.21 0.14 0.00 -0.44 0.00 0.00 34.13 34.03 2epu s GLU 130 CO 0.03 -0.09 0.28 0.21 0.95 0.00 0.00 175.26 176.64 2epu s LYS 131 N 0.60 1.85 -1.73 -4.83 2.20 -1.26 -4.82 119.74 111.75 2epu s LYS 131 Ca -0.03 -2.55 -0.20 0.00 -0.36 0.00 0.00 55.97 52.84 2epu s LYS 131 Cb -0.05 -3.07 0.18 0.00 -1.51 0.00 0.00 37.83 33.38 2epu s LYS 131 CO -0.04 -1.14 0.73 0.43 -0.36 0.00 0.00 175.35 174.97 2epu n SER 132 N 3.08 -2.97 0.00 1.43 7.64 -1.26 -4.92 113.62 116.62 2epu n SER 132 Ca 0.08 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.92 2epu n SER 132 Cb 0.33 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 2epu n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2epu n GLY 133 N -1.29 2.01 3.58 0.23 0.00 -1.26 -5.12 105.19 103.34 2epu n GLY 133 Ca 0.09 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 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 3.13 -1.54 0.21 1.61 0.04 -1.26 -5.00 135.00 132.19 2epu s PRO 134 Ca 0.00 -0.18 -0.30 0.00 0.04 0.00 0.00 61.00 60.56 2epu s PRO 134 Cb 0.00 -1.57 -0.08 0.00 0.04 0.00 0.00 34.50 32.89 2epu s PRO 134 CO 0.00 -3.90 0.95 0.45 0.04 0.00 0.00 177.00 174.54 2epu s SER 135 N -3.98 7.59 0.16 6.66 0.15 -1.26 -5.01 113.70 118.01 2epu s SER 135 Ca 0.72 1.93 -0.31 0.00 0.70 0.00 0.00 55.95 58.99 2epu s SER 135 Cb -0.08 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2epu s SER 135 CO 0.56 0.09 1.37 -0.94 1.20 0.00 0.00 173.24 175.52 2epu s SER 136 N -0.87 6.83 0.00 5.45 1.04 -1.26 -5.27 113.70 119.61 2epu s SER 136 Ca 0.43 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.25 2epu s SER 136 Cb -0.26 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.27 2epu s SER 136 CO 0.32 -0.62 0.10 0.61 0.98 0.00 0.00 173.24 174.63