#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 3.49 0.00 1.61 0.01 -1.26 -5.02 113.70 112.53 2epu s SER 94 Ca 0.00 -0.67 0.14 0.00 1.31 0.00 0.00 55.95 56.73 2epu s SER 94 Cb 0.00 -0.34 -0.11 0.00 0.21 0.00 0.00 66.02 65.78 2epu s SER 94 CO 0.00 0.19 0.64 -1.54 0.41 0.00 0.00 173.24 172.94 2epu n SER 95 N 0.98 0.87 0.00 2.44 3.41 -1.26 -5.11 113.62 114.96 2epu n SER 95 Ca -0.17 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2epu n SER 95 Cb 0.53 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 2epu n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2epu n GLY 96 N 1.26 -2.12 3.55 5.00 0.00 -1.26 -4.69 105.19 106.93 2epu n GLY 96 Ca 0.03 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 2epu n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2epu s SER 97 N -3.68 5.77 -0.08 1.61 0.15 -1.26 -4.94 113.70 111.27 2epu s SER 97 Ca 0.00 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 2epu s SER 97 Cb 0.00 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2epu s SER 97 CO 0.00 -2.08 0.15 -0.94 1.20 0.00 0.00 173.24 171.57 2epu s SER 98 N 5.79 0.40 0.53 5.45 1.04 -1.26 -4.96 113.70 120.68 2epu s SER 98 Ca 0.50 0.31 0.07 0.00 0.48 0.00 0.00 55.95 57.32 2epu s SER 98 Cb -0.09 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.30 2epu s SER 98 CO 0.15 -0.20 0.50 -0.83 0.98 0.00 0.00 173.24 173.83 2epu s GLY 99 N 1.83 2.15 0.41 7.32 0.00 -1.26 -5.12 107.32 112.65 2epu s GLY 99 Ca -0.02 -1.62 -0.11 0.00 0.00 0.00 0.00 44.72 42.97 2epu s GLY 99 CO -0.06 -1.82 0.79 -1.08 0.00 0.00 0.00 173.10 170.93 2epu s THR 100 N -2.68 4.75 0.03 0.90 -1.32 -1.26 -4.93 115.64 111.13 2epu s THR 100 Ca 0.44 0.71 0.00 0.00 -1.21 0.00 0.00 61.69 61.63 2epu s THR 100 Cb -0.03 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.23 2epu s THR 100 CO 0.27 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 2epu n GLY 101 N -1.26 -1.70 3.30 6.08 0.00 -1.26 -4.92 105.19 105.44 2epu n GLY 101 Ca 0.03 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.34 1.43 0.27 1.61 0.00 -1.26 -5.15 119.66 116.23 2epu s GLN 102 Ca 0.00 -1.10 0.06 0.00 -0.00 0.00 0.00 55.36 54.32 2epu s GLN 102 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 33.01 31.32 2epu s GLN 102 CO 0.00 0.41 0.36 0.15 0.00 0.00 0.00 175.29 176.22 2epu s LYS 103 N -1.49 3.26 0.00 9.60 1.02 -1.26 -4.99 119.74 125.88 2epu s LYS 103 Ca 0.09 -0.88 0.15 0.00 0.02 0.00 0.00 55.97 55.35 2epu s LYS 103 Cb -0.10 -2.81 0.74 0.00 -0.52 0.00 0.00 37.83 35.14 2epu s LYS 103 CO 0.03 0.32 1.41 -0.35 -0.92 0.00 0.00 175.35 175.84 2epu n PRO 104 N -1.44 0.20 -3.42 -1.68 -0.04 -1.26 -4.40 135.00 122.97 2epu n PRO 104 Ca -0.06 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 2epu n PRO 104 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.58 -0.51 -0.00 0.54 0.08 -1.25 -4.94 117.98 109.32 2epu s PHE 105 Ca 0.14 0.26 0.07 0.00 0.12 0.00 0.00 56.93 57.52 2epu s PHE 105 Cb 0.10 -0.28 -0.02 0.00 -0.57 0.00 0.00 43.02 42.25 2epu s PHE 105 CO 0.23 -0.75 -0.22 -2.00 -0.10 0.00 0.00 175.22 172.37 2epu s GLU 106 N 2.40 1.73 -1.26 0.44 2.12 -1.26 -0.04 118.70 122.84 2epu s GLU 106 Ca 0.09 -0.84 -0.12 0.00 0.36 0.00 0.00 54.97 54.47 2epu s GLU 106 Cb -0.15 -1.72 0.16 0.00 0.26 0.00 0.00 34.13 32.68 2epu s GLU 106 CO -0.20 0.47 1.68 0.00 -0.54 0.00 0.00 175.26 176.67 2epu n THR 108 N 4.06 -0.30 -0.33 0.00 5.66 -1.26 0.11 114.28 122.22 2epu n THR 108 Ca 0.39 1.54 -0.11 0.00 -3.05 0.00 0.00 64.05 62.82 2epu n THR 108 Cb 0.40 -2.50 -0.08 0.00 -1.55 0.00 0.00 70.33 66.59 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 -1.74 0.00 1.09 3.86 -1.97 -3.35 115.15 113.04 2epu h HIS 109 Ca 0.66 0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 59.87 2epu h HIS 109 Cb 1.85 0.87 -0.02 0.00 1.06 0.00 0.00 27.41 31.16 2epu h HIS 109 CO -0.01 -0.41 -1.43 0.00 0.86 0.00 0.00 177.93 176.95 2epu n GLY 111 N 2.91 0.44 3.64 0.00 0.00 0.30 -5.04 105.19 107.44 2epu n GLY 111 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 3.95 0.35 1.61 2.47 -1.24 -4.60 119.74 122.28 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 -3.93 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 2epu s LYS 112 CO 0.00 -1.09 0.58 -1.54 0.16 0.00 0.00 175.35 173.46 2epu s SER 113 N 3.23 6.32 0.18 1.43 1.04 -1.26 0.34 113.70 124.97 2epu s SER 113 Ca 0.63 0.56 -0.10 0.00 0.48 0.00 0.00 55.95 57.52 2epu s SER 113 Cb -0.22 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 2epu s SER 113 CO 0.24 -0.31 0.33 -0.36 0.98 0.00 0.00 173.24 174.12 2epu s PHE 114 N -2.33 0.37 -0.12 5.02 0.40 0.95 -4.96 117.98 117.31 2epu s PHE 114 Ca 0.42 -0.72 -0.23 0.00 -0.60 0.00 0.00 56.93 55.79 2epu s PHE 114 Cb -0.10 0.01 -0.26 0.00 0.51 0.00 0.00 43.02 43.17 2epu s PHE 114 CO 0.36 -0.78 0.66 0.00 0.70 0.00 0.00 175.22 176.16 2epu h ARG 115 N 2.47 0.13 -6.37 0.44 2.47 -1.99 -3.31 114.38 108.22 2epu h ARG 115 Ca -0.31 -0.22 -0.61 0.00 -1.26 0.00 0.00 59.98 57.58 2epu h ARG 115 Cb 1.24 0.08 -0.14 0.00 -1.65 0.00 0.00 29.97 29.50 2epu h ARG 115 CO 0.45 1.11 -0.74 0.00 0.56 0.00 0.00 179.97 181.35 2epu s ALA 116 N -2.35 2.85 0.03 0.04 0.00 -1.26 -4.72 121.76 116.35 2epu s ALA 116 Ca -0.20 -1.65 -0.12 0.00 0.00 0.00 0.00 51.96 49.99 2epu s ALA 116 Cb 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.54 2epu s ALA 116 CO 0.72 0.37 1.19 -0.22 0.00 0.00 0.00 175.76 177.83 2epu h LYS 117 N 2.58 -0.32 -0.51 0.00 3.64 -1.92 -2.97 116.57 117.08 2epu h LYS 117 Ca -0.44 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2epu h LYS 117 Cb 1.23 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 2epu h LYS 117 CO 0.56 -0.21 -0.30 0.41 -2.27 0.00 0.00 179.45 177.64 2epu n GLY 118 N -1.19 -2.00 0.36 5.01 0.00 -1.26 0.67 105.19 106.77 2epu n GLY 118 Ca -0.04 0.73 0.07 0.00 0.00 0.00 0.00 46.02 46.79 2epu n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2epu n ASN 119 N -4.25 -0.32 0.01 1.61 4.13 -1.18 -0.39 115.26 114.86 2epu n ASN 119 Ca 0.01 1.72 -0.13 0.00 1.68 0.00 0.00 54.58 57.86 2epu n ASN 119 Cb 0.13 -0.54 -0.09 0.00 -1.54 0.00 0.00 39.78 37.74 2epu n ASN 119 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2epu h LEU 120 N 0.00 -0.03 -0.87 3.41 5.85 0.39 -3.01 115.31 121.06 2epu h LEU 120 Ca 0.50 -0.40 0.23 0.00 0.84 0.00 0.00 57.88 59.05 2epu h LEU 120 Cb 0.82 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.71 2epu h LEU 120 CO -1.02 0.38 0.17 0.58 -0.34 0.00 0.00 178.44 178.22 2epu h VAL 121 N -0.45 0.29 -0.36 1.05 2.07 0.22 0.67 116.25 119.75 2epu h VAL 121 Ca -0.00 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2epu h VAL 121 Cb 0.42 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2epu h VAL 121 CO 0.01 0.03 0.02 0.74 0.02 0.00 0.00 177.57 178.38 2epu h THR 122 N 0.17 1.20 -0.12 2.57 2.02 -1.02 -2.92 112.91 114.80 2epu h THR 122 Ca 0.53 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2epu h THR 122 Cb 1.06 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2epu h THR 122 CO -0.68 0.27 0.01 -0.74 0.37 0.00 0.00 175.52 174.74 2epu h HIS 123 N 0.53 0.23 -0.96 3.16 6.17 0.44 -2.88 115.15 121.84 2epu h HIS 123 Ca 0.12 -0.04 0.24 0.00 0.71 0.00 0.00 60.37 61.40 2epu h HIS 123 Cb 0.32 -0.06 -0.07 0.00 2.52 0.00 0.00 27.41 30.11 2epu h HIS 123 CO 0.01 0.44 0.64 1.96 0.71 0.00 0.00 177.93 181.69 2epu h GLN 124 N -0.04 0.33 -0.12 5.26 4.20 -1.04 0.25 115.11 123.95 2epu h GLN 124 Ca 0.04 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.76 2epu h GLN 124 Cb 0.34 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2epu h GLN 124 CO 0.01 0.22 0.50 0.00 -0.67 0.00 0.00 178.83 178.89 2epu h ARG 125 N 0.34 0.00 -0.05 1.46 3.08 -1.43 0.62 114.38 118.40 2epu h ARG 125 Ca 0.51 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.41 2epu h ARG 125 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 2epu h ARG 125 CO -0.19 0.00 -0.64 -0.84 -1.07 0.00 0.00 179.97 177.23 2epu h ILE 126 N 0.00 1.41 0.02 2.04 3.07 -0.65 -3.29 117.51 120.11 2epu h ILE 126 Ca 0.06 -2.08 -0.00 0.00 1.55 0.00 0.00 64.86 64.39 2epu h ILE 126 Cb 1.07 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 2epu h ILE 126 CO -0.00 0.61 -0.01 0.45 -1.05 0.00 0.00 178.15 178.15 2epu h HIS 127 N 0.15 -0.03 -0.77 0.16 3.86 0.09 -3.46 115.15 115.15 2epu h HIS 127 Ca -0.01 -0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.69 2epu h HIS 127 Cb 1.16 0.01 0.08 0.00 1.06 0.00 0.00 27.41 29.72 2epu h HIS 127 CO 0.02 0.70 -0.41 0.25 0.86 0.00 0.00 177.93 179.35 2epu n THR 128 N -4.72 1.52 0.00 2.45 -2.24 -1.07 -4.95 114.28 105.28 2epu n THR 128 Ca -0.09 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2epu n THR 128 Cb 0.36 0.00 0.00 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 1.53 0.18 3.38 3.38 0.00 -1.26 -4.91 105.19 107.49 2epu n GLY 129 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -7.08 -3.93 1.61 4.71 -1.26 -4.98 120.64 109.71 2epu n GLU 130 Ca 0.00 0.76 -0.32 0.00 -0.01 0.00 0.00 57.16 57.58 2epu n GLU 130 Cb 0.00 -5.58 -0.14 0.00 -1.01 0.00 0.00 31.44 24.71 2epu n GLU 130 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2epu s LYS 131 N -6.04 1.77 0.23 3.49 2.47 -1.26 -5.09 119.74 115.31 2epu s LYS 131 Ca 0.45 -2.05 -0.28 0.00 -1.56 0.00 0.00 55.97 52.53 2epu s LYS 131 Cb -0.20 -3.36 -0.16 0.00 -1.46 0.00 0.00 37.83 32.66 2epu s LYS 131 CO 0.66 -1.02 0.68 0.43 0.16 0.00 0.00 175.35 176.26 2epu n SER 132 N 4.07 -0.43 -0.36 1.43 7.64 -1.26 -4.62 113.62 120.09 2epu n SER 132 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2epu n SER 132 Cb 0.40 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 1.75 -3.13 3.77 0.23 0.00 -1.26 -4.94 105.19 101.61 2epu n GLY 133 Ca 0.15 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.51 3.79 0.11 1.61 0.04 -1.26 -5.06 135.00 129.73 2epu s PRO 134 Ca 0.00 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.84 2epu s PRO 134 Cb 0.00 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2epu s PRO 134 CO 0.00 -0.53 -0.04 -1.54 0.04 0.00 0.00 177.00 174.94 2epu s SER 135 N -1.33 1.01 -0.22 6.66 1.04 -1.26 -5.09 113.70 114.52 2epu s SER 135 Ca 0.63 -1.06 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 2epu s SER 135 Cb -0.29 0.13 -0.12 0.00 0.10 0.00 0.00 66.02 65.84 2epu s SER 135 CO 0.35 -0.53 -0.14 -1.20 0.98 0.00 0.00 173.24 172.70 2epu n SER 136 N -0.07 1.90 0.00 7.02 7.64 -1.26 -5.27 113.62 123.57 2epu n SER 136 Ca -0.11 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2epu n SER 136 Cb 0.62 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2epu n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64