#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3h s TYR 112 N 0.00 3.24 -0.10 0.00 5.04 -1.26 -5.04 117.35 119.23 1c3h s TYR 112 Ca 0.00 1.37 0.04 0.00 -2.44 0.00 0.00 57.07 56.04 1c3h s TYR 112 Cb 0.00 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.74 1c3h s TYR 112 CO 0.00 -1.64 -0.23 -1.64 -1.34 0.00 0.00 175.55 170.70 1c3h s MET 113 N -0.95 2.92 -0.83 4.97 -1.94 -1.26 -5.06 119.30 117.15 1c3h s MET 113 Ca 0.52 -0.83 -0.25 0.00 -1.71 0.00 0.00 55.69 53.41 1c3h s MET 113 Cb -0.37 -2.22 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 1c3h s MET 113 CO 0.44 0.15 1.78 0.71 -0.01 0.00 0.00 175.02 178.10 1c3h s TYR 114 N 0.40 1.93 0.05 -0.03 1.51 -1.26 -4.93 117.35 115.01 1c3h s TYR 114 Ca -0.18 0.37 0.09 0.00 -1.01 0.00 0.00 57.07 56.35 1c3h s TYR 114 Cb -0.18 -4.22 -0.03 0.00 -0.11 0.00 0.00 41.96 37.43 1c3h s TYR 114 CO 0.08 -1.96 -0.26 1.03 -1.11 0.00 0.00 175.55 173.33 1c3h s ARG 115 N 6.58 1.72 -0.30 -0.62 0.52 -1.26 -4.92 118.95 120.66 1c3h s ARG 115 Ca 0.62 -1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 54.65 1c3h s ARG 115 Cb -0.07 -1.90 0.16 0.00 0.52 0.00 0.00 34.95 33.66 1c3h s ARG 115 CO 0.05 0.49 0.74 0.45 0.02 0.00 0.00 175.30 177.05 1c3h s SER 116 N -1.27 -1.05 0.09 0.23 0.15 -1.26 -4.95 113.70 105.63 1c3h s SER 116 Ca 0.11 1.04 -0.20 0.00 0.70 0.00 0.00 55.95 57.61 1c3h s SER 116 Cb -0.10 2.04 0.05 0.00 -1.71 0.00 0.00 66.02 66.30 1c3h s SER 116 CO 0.02 -0.20 0.48 0.00 1.20 0.00 0.00 173.24 174.74 1c3h s ALA 117 N 2.81 -1.20 -0.03 5.45 0.00 -1.26 -0.66 121.76 126.87 1c3h s ALA 117 Ca 0.05 0.34 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 1c3h s ALA 117 Cb -0.12 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.61 1c3h s ALA 117 CO -0.18 -0.58 0.62 -0.59 0.00 0.00 0.00 175.76 175.03 1c3h s PHE 118 N -3.06 -0.59 -0.21 0.00 -0.12 -0.12 -4.41 117.98 109.47 1c3h s PHE 118 Ca -0.02 0.96 -0.04 0.00 -0.05 0.00 0.00 56.93 57.79 1c3h s PHE 118 Cb 0.00 0.37 0.10 0.00 -0.63 0.00 0.00 43.02 42.87 1c3h s PHE 118 CO -0.07 -0.59 0.30 0.45 -0.05 0.00 0.00 175.22 175.26 1c3h s SER 119 N -1.31 0.67 0.15 1.98 0.15 0.33 -0.78 113.70 114.90 1c3h s SER 119 Ca -0.11 0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.76 1c3h s SER 119 Cb -0.01 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 1c3h s SER 119 CO 0.08 -0.30 -0.13 0.68 1.20 0.00 0.00 173.24 174.77 1c3h s VAL 120 N 2.44 1.40 0.08 4.45 -7.23 0.44 -0.67 120.40 121.31 1c3h s VAL 120 Ca 0.08 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1c3h s VAL 120 Cb -0.15 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 1c3h s VAL 120 CO -0.13 -0.55 0.07 0.61 -0.31 0.00 0.00 175.10 174.79 1c3h n GLY 121 N 0.10 3.77 0.56 2.32 0.00 0.14 -0.39 105.19 111.68 1c3h n GLY 121 Ca -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1c3h n GLY 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c3h n LEU 122 N 0.00 0.77 0.00 0.99 4.77 -0.96 -1.56 117.00 121.02 1c3h n LEU 122 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1c3h n LEU 122 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1c3h n LEU 122 CO 0.07 0.02 0.00 -0.62 -1.33 0.00 0.00 177.39 175.54 1c3h n GLU 123 N -2.18 0.00 0.00 3.23 1.02 -1.25 -4.83 120.64 116.63 1c3h n GLU 123 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1c3h n GLU 123 Cb 0.20 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 1c3h n GLU 123 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1c3h n THR 124 N -0.73 0.00 0.00 2.62 5.66 -1.25 -1.91 114.28 118.67 1c3h n THR 124 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1c3h n THR 124 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1c3h n THR 124 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1c3h n ARG 125 N -1.39 0.00 -0.81 1.09 0.63 -1.26 -5.10 116.66 109.81 1c3h n ARG 125 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1c3h n ARG 125 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 1c3h n ARG 125 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1c3h n VAL 126 N 0.00 0.00 -0.04 5.15 0.31 -1.26 -4.52 118.33 117.97 1c3h n VAL 126 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1c3h n VAL 126 Cb 0.00 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1c3h n VAL 126 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1c3h n THR 127 N 3.45 0.00 -3.52 2.52 -2.24 -1.26 -2.64 114.28 110.60 1c3h n THR 127 Ca 0.36 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.75 1c3h n THR 127 Cb 0.05 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 1c3h n THR 127 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1c3h s VAL 128 N 0.00 5.26 0.79 2.28 0.11 -1.26 -4.81 120.40 122.76 1c3h s VAL 128 Ca 0.00 0.14 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 1c3h s VAL 128 Cb 0.00 -3.64 0.13 0.00 -1.53 0.00 0.00 36.38 31.34 1c3h s VAL 128 CO 0.00 0.13 1.09 -2.16 -3.33 0.00 0.00 175.10 170.83 1c3h s PRO 129 N 1.84 1.49 0.00 1.54 0.04 -1.26 -4.47 135.00 134.18 1c3h s PRO 129 Ca 0.09 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1c3h s PRO 129 Cb -0.16 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1c3h s PRO 129 CO 0.11 -1.68 0.00 0.09 0.04 0.00 0.00 177.00 175.56 1c3h n ASN 130 N -3.12 0.00 -4.34 6.66 3.02 0.91 -4.94 115.26 113.45 1c3h n ASN 130 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.46 1c3h n ASN 130 Cb 0.60 -1.87 -0.11 0.00 -0.61 0.00 0.00 39.78 37.79 1c3h n ASN 130 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1c3h s VAL 131 N -1.62 1.87 0.09 2.41 -7.23 -1.26 -5.00 120.40 109.67 1c3h s VAL 131 Ca 0.00 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 57.90 1c3h s VAL 131 Cb 0.00 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 1c3h s VAL 131 CO 0.00 -0.32 1.64 -2.16 -0.31 0.00 0.00 175.10 173.95 1c3h s PRO 132 N -2.87 4.20 0.08 4.82 0.04 -1.26 -4.39 135.00 135.62 1c3h s PRO 132 Ca 0.17 2.34 -0.31 0.00 0.04 0.00 0.00 61.00 63.25 1c3h s PRO 132 Cb -0.06 -3.51 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 1c3h s PRO 132 CO 0.07 -0.71 1.75 0.42 0.04 0.00 0.00 177.00 178.57 1c3h s ILE 133 N 2.33 2.87 -0.82 0.56 1.01 0.13 -4.77 121.20 122.51 1c3h s ILE 133 Ca 0.73 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 61.51 1c3h s ILE 133 Cb -0.41 -3.19 0.17 0.00 0.01 0.00 0.00 42.46 39.05 1c3h s ILE 133 CO 0.32 -0.00 0.88 -0.13 0.00 0.00 0.00 174.94 176.00 1c3h s ARG 134 N 2.91 3.51 0.15 2.79 0.52 -1.26 -4.55 118.95 123.01 1c3h s ARG 134 Ca 0.78 -2.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.63 1c3h s ARG 134 Cb -0.42 -4.57 -0.07 0.00 0.52 0.00 0.00 34.95 30.41 1c3h s ARG 134 CO 0.34 -1.49 1.10 -0.06 0.02 0.00 0.00 175.30 175.21 1c3h s PHE 135 N 1.39 3.59 0.00 -0.53 0.40 -1.26 -4.92 117.98 116.65 1c3h s PHE 135 Ca 0.22 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 58.13 1c3h s PHE 135 Cb -0.11 -3.27 0.00 0.00 0.51 0.00 0.00 43.02 40.15 1c3h s PHE 135 CO -0.07 -0.61 0.00 0.25 0.70 0.00 0.00 175.22 175.49 1c3h n THR 136 N 2.66 0.00 -2.78 0.64 -2.24 -0.77 -4.60 114.28 107.20 1c3h n THR 136 Ca 0.04 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1c3h n THR 136 Cb 0.47 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1c3h n THR 136 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1c3h s LYS 137 N -1.15 4.02 -0.38 -0.78 2.20 -0.60 -4.92 119.74 118.14 1c3h s LYS 137 Ca 0.00 0.86 -0.14 0.00 -0.36 0.00 0.00 55.97 56.33 1c3h s LYS 137 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1c3h s LYS 137 CO 0.00 -0.79 0.28 0.42 -0.36 0.00 0.00 175.35 174.90 1c3h s ILE 138 N 3.32 5.26 -0.02 5.43 1.09 -1.26 0.26 121.20 135.28 1c3h s ILE 138 Ca 0.39 -0.43 0.03 0.00 -1.10 0.00 0.00 60.65 59.55 1c3h s ILE 138 Cb -0.13 -3.84 -0.25 0.00 -1.06 0.00 0.00 42.46 37.18 1c3h s ILE 138 CO 0.14 -0.17 0.77 -0.26 -0.10 0.00 0.00 174.94 175.31 1c3h h PHE 139 N 8.57 0.23 -1.70 3.97 -1.00 -1.26 -3.47 116.94 122.28 1c3h h PHE 139 Ca -0.29 -0.17 0.07 0.00 2.81 0.00 0.00 57.97 60.39 1c3h h PHE 139 Cb 1.14 -0.01 -0.25 0.00 3.61 0.00 0.00 35.95 40.44 1c3h h PHE 139 CO 0.61 1.25 0.29 -0.47 -1.61 0.00 0.00 178.31 178.38 1c3h s TYR 140 N -2.61 -0.69 -0.22 -0.55 5.04 -0.69 -4.93 117.35 112.70 1c3h s TYR 140 Ca -0.08 1.45 0.09 0.00 -2.44 0.00 0.00 57.07 56.08 1c3h s TYR 140 Cb 0.08 0.41 0.27 0.00 0.35 0.00 0.00 41.96 43.07 1c3h s TYR 140 CO 0.83 -0.34 1.25 -1.71 -1.34 0.00 0.00 175.55 174.23 1c3h n ASN 141 N 3.42 -1.11 -0.30 4.32 5.15 -1.26 -0.52 115.26 124.96 1c3h n ASN 141 Ca -0.17 -1.91 0.10 0.00 -0.60 0.00 0.00 54.58 51.99 1c3h n ASN 141 Cb 0.57 0.50 0.22 0.00 -0.53 0.00 0.00 39.78 40.54 1c3h n ASN 141 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1c3h h GLN 142 N 0.66 0.07 -0.01 1.20 5.75 -1.97 0.48 115.11 121.29 1c3h h GLN 142 Ca -0.38 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 1c3h h GLN 142 Cb 1.24 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1c3h h GLN 142 CO -0.17 0.04 -0.00 1.04 -2.65 0.00 0.00 178.83 177.10 1c3h n GLN 143 N -5.41 1.28 -3.30 1.69 3.00 -1.26 -4.91 117.38 108.47 1c3h n GLN 143 Ca 0.18 -0.41 -0.24 0.00 -0.01 0.00 0.00 57.00 56.52 1c3h n GLN 143 Cb 0.61 -1.49 0.02 0.00 0.00 0.00 0.00 30.24 29.37 1c3h n GLN 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1c3h n ASN 144 N -0.50 -4.87 0.12 1.08 4.13 0.17 -4.84 115.26 110.55 1c3h n ASN 144 Ca 0.22 -0.40 0.13 0.00 1.68 0.00 0.00 54.58 56.20 1c3h n ASN 144 Cb 0.22 -3.96 0.29 0.00 -1.54 0.00 0.00 39.78 34.78 1c3h n ASN 144 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1c3h h HIS 145 N -1.32 0.00 -3.16 3.10 3.86 -1.88 -3.43 115.15 112.31 1c3h h HIS 145 Ca -0.49 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.10 1c3h h HIS 145 Cb 1.33 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.68 1c3h h HIS 145 CO 0.60 0.00 -0.50 -0.47 0.86 0.00 0.00 177.93 178.41 1c3h s TYR 146 N -3.15 3.41 -0.38 2.45 5.04 -1.26 -0.52 117.35 122.94 1c3h s TYR 146 Ca 0.08 0.32 -0.07 0.00 -2.44 0.00 0.00 57.07 54.96 1c3h s TYR 146 Cb 0.11 -2.10 0.07 0.00 0.35 0.00 0.00 41.96 40.39 1c3h s TYR 146 CO 0.65 0.35 0.18 0.34 -1.34 0.00 0.00 175.55 175.73 1c3h s ASP 147 N 0.08 5.43 0.51 4.32 2.15 0.19 -4.95 116.67 124.40 1c3h s ASP 147 Ca 0.08 -1.41 0.34 0.00 0.43 0.00 0.00 52.55 51.99 1c3h s ASP 147 Cb -0.11 -1.91 1.78 0.00 -0.30 0.00 0.00 42.92 42.38 1c3h s ASP 147 CO -0.00 -0.44 2.05 1.23 -0.17 0.00 0.00 175.17 177.83 1c3h h GLY 148 N 8.27 0.00 1.29 2.66 0.00 -1.86 0.58 103.07 114.01 1c3h h GLY 148 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.92 1c3h h GLY 148 CO 0.68 0.00 -0.67 1.76 0.00 0.00 0.00 176.54 178.31 1c3h h SER 149 N 0.00 0.83 0.00 0.19 0.02 -1.92 -3.29 113.55 109.38 1c3h h SER 149 Ca 0.00 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1c3h h SER 149 Cb 0.10 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1c3h h SER 149 CO 0.00 1.28 -0.82 0.35 -1.14 0.00 0.00 176.83 176.50 1c3h n THR 150 N -3.94 0.00 -1.87 -2.27 -2.24 -0.98 -4.99 114.28 97.98 1c3h n THR 150 Ca -0.05 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1c3h n THR 150 Cb 0.68 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 1c3h n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3h n GLY 151 N 1.38 0.44 3.36 3.38 0.00 0.20 -4.77 105.19 109.18 1c3h n GLY 151 Ca 0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1c3h n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3h s LYS 152 N -3.96 1.45 -0.08 1.61 1.02 -1.10 -4.61 119.74 114.07 1c3h s LYS 152 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 55.97 54.62 1c3h s LYS 152 Cb 0.00 -1.82 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1c3h s LYS 152 CO 0.00 0.44 0.30 0.12 -0.92 0.00 0.00 175.35 175.30 1c3h s PHE 153 N -1.00 3.62 -0.19 3.18 5.36 -0.18 -0.64 117.98 128.12 1c3h s PHE 153 Ca 0.12 0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 56.83 1c3h s PHE 153 Cb -0.10 -2.21 -0.00 0.00 -0.34 0.00 0.00 43.02 40.37 1c3h s PHE 153 CO 0.05 0.55 -0.11 0.71 -1.46 0.00 0.00 175.22 174.95 1c3h s TYR 154 N -0.61 2.86 -0.10 10.12 2.02 0.33 -1.65 117.35 130.31 1c3h s TYR 154 Ca 0.19 -1.09 -0.30 0.00 -0.37 0.00 0.00 57.07 55.51 1c3h s TYR 154 Cb -0.14 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1c3h s TYR 154 CO 0.08 -0.55 1.27 0.00 -1.57 0.00 0.00 175.55 174.78 1c3h n ASN 156 N 6.01 1.70 -3.67 0.00 4.13 -1.26 -0.47 115.26 121.70 1c3h n ASN 156 Ca 0.13 -1.40 -0.16 0.00 1.68 0.00 0.00 54.58 54.83 1c3h n ASN 156 Cb 0.45 -0.02 -0.15 0.00 -1.54 0.00 0.00 39.78 38.52 1c3h n ASN 156 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1c3h s ILE 157 N -0.61 -0.28 0.20 2.41 1.01 -1.26 -4.92 121.20 117.76 1c3h s ILE 157 Ca 0.08 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 1c3h s ILE 157 Cb 0.05 -0.33 -0.09 0.00 0.01 0.00 0.00 42.46 42.11 1c3h s ILE 157 CO 0.08 0.14 1.28 -2.16 0.00 0.00 0.00 174.94 174.27 1c3h s PRO 158 N 2.25 4.42 0.00 2.79 0.04 -1.26 -4.74 135.00 138.49 1c3h s PRO 158 Ca 0.02 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1c3h s PRO 158 Cb -0.12 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1c3h s PRO 158 CO -0.06 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1c3h n GLY 159 N 2.23 -1.19 3.65 0.56 0.00 -0.57 -0.18 105.19 109.70 1c3h n GLY 159 Ca 0.05 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1c3h n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c3h s LEU 160 N 0.00 4.13 0.10 0.99 0.20 0.37 -0.65 118.68 123.82 1c3h s LEU 160 Ca 0.00 0.51 0.08 0.00 0.69 0.00 0.00 54.13 55.41 1c3h s LEU 160 Cb 0.00 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.17 1c3h s LEU 160 CO 0.00 -0.13 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.45 1c3h s TYR 161 N 1.57 2.58 -0.11 5.38 1.51 0.13 0.90 117.35 129.31 1c3h s TYR 161 Ca 0.19 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1c3h s TYR 161 Cb -0.15 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1c3h s TYR 161 CO 0.09 0.36 -0.06 -0.47 -1.11 0.00 0.00 175.55 174.36 1c3h s TYR 162 N -1.11 2.96 0.00 2.71 5.04 -0.43 -0.60 117.35 125.92 1c3h s TYR 162 Ca 0.18 -0.17 0.06 0.00 -2.44 0.00 0.00 57.07 54.69 1c3h s TYR 162 Cb -0.11 -1.82 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 1c3h s TYR 162 CO 0.10 0.13 -0.18 -0.06 -1.34 0.00 0.00 175.55 174.20 1c3h s PHE 163 N -0.23 1.62 -0.04 4.97 0.40 0.49 -1.57 117.98 123.63 1c3h s PHE 163 Ca 0.03 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1c3h s PHE 163 Cb -0.13 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1c3h s PHE 163 CO 0.03 0.00 0.11 0.45 0.70 0.00 0.00 175.22 176.51 1c3h s SER 164 N -0.64 -0.09 -0.01 1.36 0.15 -0.09 -1.12 113.70 113.26 1c3h s SER 164 Ca 0.07 0.16 -0.12 0.00 0.70 0.00 0.00 55.95 56.75 1c3h s SER 164 Cb -0.07 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1c3h s SER 164 CO -0.00 -0.09 0.25 -0.72 1.20 0.00 0.00 173.24 173.89 1c3h s TYR 165 N -0.15 -0.11 -0.30 3.44 -0.85 -0.43 0.17 117.35 119.13 1c3h s TYR 165 Ca -0.02 0.13 -0.02 0.00 -0.52 0.00 0.00 57.07 56.64 1c3h s TYR 165 Cb -0.02 0.05 0.12 0.00 0.38 0.00 0.00 41.96 42.49 1c3h s TYR 165 CO 0.00 -0.36 0.23 -1.01 -1.52 0.00 0.00 175.55 172.89 1c3h s HIS 166 N -1.38 -0.03 0.20 -3.49 3.76 -0.32 -1.47 115.29 112.55 1c3h s HIS 166 Ca -0.14 -0.63 0.09 0.00 -0.15 0.00 0.00 55.06 54.23 1c3h s HIS 166 Cb -0.06 -0.67 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 1c3h s HIS 166 CO 0.03 -0.88 -0.18 0.96 -0.85 0.00 0.00 174.74 173.82 1c3h s ILE 167 N 2.08 1.99 -0.20 0.60 -4.36 0.48 -0.45 121.20 121.35 1c3h s ILE 167 Ca 0.10 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.38 1c3h s ILE 167 Cb -0.16 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.54 1c3h s ILE 167 CO -0.30 -0.38 -0.13 -0.89 0.24 0.00 0.00 174.94 173.49 1c3h s THR 168 N -2.32 2.69 -0.12 8.37 2.01 -1.26 -0.91 115.64 124.11 1c3h s THR 168 Ca 0.21 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1c3h s THR 168 Cb -0.05 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 1c3h s THR 168 CO 0.09 0.49 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.76 1c3h s VAL 169 N 1.33 3.79 -0.80 3.82 1.01 0.35 -4.73 120.40 125.16 1c3h s VAL 169 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1c3h s VAL 169 Cb -0.14 -2.61 0.21 0.00 0.00 0.00 0.00 36.38 33.84 1c3h s VAL 169 CO -0.08 0.54 0.72 -0.31 0.00 0.00 0.00 175.10 175.97 1c3h s TYR 170 N -0.11 3.71 0.00 5.22 2.02 -1.08 -0.11 117.35 127.00 1c3h s TYR 170 Ca 0.02 -2.16 0.00 0.00 -0.37 0.00 0.00 57.07 54.55 1c3h s TYR 170 Cb -0.13 -3.70 0.00 0.00 -0.40 0.00 0.00 41.96 37.73 1c3h s TYR 170 CO 0.03 -0.96 0.00 0.00 -1.57 0.00 0.00 175.55 173.05 1c3h n MET 171 N 3.82 -1.56 -4.02 -0.62 0.00 0.76 -4.67 117.12 110.82 1c3h n MET 171 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.57 1c3h n MET 171 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.62 1c3h n MET 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1c3h s LYS 172 N -2.00 3.11 -1.32 3.17 0.00 0.16 -3.66 119.74 119.20 1c3h s LYS 172 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 55.97 55.20 1c3h s LYS 172 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 37.83 35.05 1c3h s LYS 172 CO 0.00 0.51 0.60 -3.47 0.00 0.00 0.00 175.35 172.99 1c3h n ASP 173 N -0.33 -1.46 -4.71 0.03 4.64 -1.26 -0.41 116.55 113.06 1c3h n ASP 173 Ca -0.08 -0.92 -0.42 0.00 -1.38 0.00 0.00 54.79 51.99 1c3h n ASP 173 Cb 0.54 -3.57 -0.03 0.00 -1.04 0.00 0.00 41.12 37.02 1c3h n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1c3h s VAL 174 N -3.76 4.38 -0.03 5.18 1.01 -1.26 -4.22 120.40 121.69 1c3h s VAL 174 Ca 0.07 1.70 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1c3h s VAL 174 Cb -0.02 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1c3h s VAL 174 CO 0.85 0.11 -0.25 -0.54 0.00 0.00 0.00 175.10 175.27 1c3h s LYS 175 N 1.24 2.24 -0.04 2.72 3.01 -0.00 -4.33 119.74 124.57 1c3h s LYS 175 Ca 0.56 -0.90 0.07 0.00 -1.01 0.00 0.00 55.97 54.69 1c3h s LYS 175 Cb -0.25 -2.04 -0.02 0.00 -1.01 0.00 0.00 37.83 34.50 1c3h s LYS 175 CO 0.27 0.47 -0.25 0.08 0.51 0.00 0.00 175.35 176.44 1c3h s VAL 176 N -0.41 2.14 -0.02 3.17 1.01 0.20 -0.73 120.40 125.76 1c3h s VAL 176 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1c3h s VAL 176 Cb -0.11 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1c3h s VAL 176 CO 0.01 0.58 -0.11 -0.44 0.00 0.00 0.00 175.10 175.14 1c3h s SER 177 N -0.45 1.38 -0.26 3.32 0.01 0.71 0.68 113.70 119.09 1c3h s SER 177 Ca 0.05 -0.21 -0.09 0.00 1.31 0.00 0.00 55.95 57.01 1c3h s SER 177 Cb -0.11 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 1c3h s SER 177 CO 0.01 0.10 0.12 -0.22 0.41 0.00 0.00 173.24 173.66 1c3h s LEU 178 N 0.03 3.71 -0.03 2.44 1.98 -0.74 -0.74 118.68 125.33 1c3h s LEU 178 Ca -0.01 -0.11 -0.03 0.00 -2.89 0.00 0.00 54.13 51.09 1c3h s LEU 178 Cb -0.08 -2.01 -0.04 0.00 0.66 0.00 0.00 46.19 44.72 1c3h s LEU 178 CO 0.00 -0.03 0.16 -0.36 -1.89 0.00 0.00 176.35 174.23 1c3h s PHE 179 N 1.63 3.52 -0.16 5.38 0.40 0.15 -0.12 117.98 128.77 1c3h s PHE 179 Ca 0.07 0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1c3h s PHE 179 Cb -0.15 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.58 1c3h s PHE 179 CO 0.07 0.65 -0.06 0.21 0.70 0.00 0.00 175.22 176.79 1c3h s LYS 180 N -1.70 1.50 0.00 0.44 2.20 -0.25 -1.76 119.74 120.16 1c3h s LYS 180 Ca 0.24 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1c3h s LYS 180 Cb -0.12 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 1c3h s LYS 180 CO 0.15 -0.39 0.00 1.63 -0.36 0.00 0.00 175.35 176.37 1c3h n LYS 181 N 4.88 0.00 0.00 4.03 5.02 0.32 -2.50 118.16 129.90 1c3h n LYS 181 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1c3h n LYS 181 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1c3h n LYS 181 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1c3h n ASP 182 N 1.92 0.00 -4.52 4.39 3.85 -1.26 -4.73 116.55 116.21 1c3h n ASP 182 Ca 0.00 0.00 -0.25 0.00 -0.71 0.00 0.00 54.79 53.83 1c3h n ASP 182 Cb 0.00 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 39.67 1c3h n ASP 182 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1c3h s LYS 183 N 0.00 1.87 -0.01 0.11 1.02 -1.04 -5.10 119.74 116.58 1c3h s LYS 183 Ca 0.00 -1.52 -0.30 0.00 0.02 0.00 0.00 55.97 54.17 1c3h s LYS 183 Cb 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1c3h s LYS 183 CO 0.00 0.38 0.98 0.00 -0.92 0.00 0.00 175.35 175.78 1c3h s ALA 184 N -2.09 3.19 -0.21 5.17 0.00 -1.26 -1.09 121.76 125.47 1c3h s ALA 184 Ca 0.27 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1c3h s ALA 184 Cb -0.07 -3.34 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 1c3h s ALA 184 CO 0.15 -0.27 -0.01 0.28 0.00 0.00 0.00 175.76 175.92 1c3h n VAL 185 N 3.96 1.59 -5.15 0.00 0.31 0.83 -4.92 118.33 114.95 1c3h n VAL 185 Ca 0.06 -0.61 -0.29 0.00 -0.01 0.00 0.00 64.34 63.49 1c3h n VAL 185 Cb 0.51 -1.51 -0.16 0.00 -0.91 0.00 0.00 33.84 31.77 1c3h n VAL 185 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1c3h s LEU 186 N -6.68 2.03 -0.22 7.52 1.43 -1.17 -4.99 118.68 116.60 1c3h s LEU 186 Ca -0.30 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1c3h s LEU 186 Cb 0.08 -1.23 0.06 0.00 0.03 0.00 0.00 46.19 45.13 1c3h s LEU 186 CO 0.67 0.26 -0.03 0.12 0.23 0.00 0.00 176.35 177.59 1c3h s PHE 187 N -0.35 2.06 -0.29 0.29 5.36 -1.26 -1.79 117.98 122.00 1c3h s PHE 187 Ca 0.03 -1.54 -0.10 0.00 -0.96 0.00 0.00 56.93 54.36 1c3h s PHE 187 Cb -0.11 -1.45 -0.03 0.00 -0.34 0.00 0.00 43.02 41.10 1c3h s PHE 187 CO 0.01 -0.74 0.16 0.99 -1.46 0.00 0.00 175.22 174.19 1c3h s THR 188 N 1.51 4.87 -0.57 0.12 2.01 0.21 -4.94 115.64 118.86 1c3h s THR 188 Ca -0.05 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.86 1c3h s THR 188 Cb -0.18 -3.40 0.23 0.00 0.01 0.00 0.00 72.50 69.16 1c3h s THR 188 CO -0.07 0.17 0.60 0.00 -0.69 0.00 0.00 174.62 174.63 1c3h n TYR 189 N 5.01 2.10 -1.64 4.92 9.36 -1.26 0.59 117.16 136.24 1c3h n TYR 189 Ca -0.14 -3.95 -0.51 0.00 3.32 0.00 0.00 57.90 56.62 1c3h n TYR 189 Cb 0.51 -0.43 -0.06 0.00 -0.63 0.00 0.00 39.34 38.73 1c3h n TYR 189 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1c3h n ASP 190 N 1.41 2.37 0.10 2.98 8.00 -1.26 -4.88 116.55 125.26 1c3h n ASP 190 Ca 0.26 1.08 0.03 0.00 0.71 0.00 0.00 54.79 56.88 1c3h n ASP 190 Cb 0.44 -1.27 -0.01 0.00 -0.02 0.00 0.00 41.12 40.26 1c3h n ASP 190 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1c3h h GLN 191 N 5.91 0.00 -1.94 -1.24 3.07 -1.98 -3.37 115.11 115.56 1c3h h GLN 191 Ca -0.47 0.00 -0.44 0.00 0.09 0.00 0.00 58.65 57.84 1c3h h GLN 191 Cb 1.30 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 28.71 1c3h h GLN 191 CO 0.86 0.31 0.29 2.48 0.09 0.00 0.00 178.83 182.86 1c3h n TYR 192 N -3.00 1.38 -3.22 0.06 -0.00 -1.26 -4.95 117.16 106.16 1c3h n TYR 192 Ca -0.03 -1.88 -0.35 0.00 -0.00 0.00 0.00 57.90 55.64 1c3h n TYR 192 Cb 0.74 -1.35 -0.06 0.00 -0.00 0.00 0.00 39.34 38.66 1c3h n TYR 192 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1c3h s GLN 193 N -1.37 4.07 0.01 -3.48 -0.21 -1.26 -5.04 119.66 112.37 1c3h s GLN 193 Ca 0.56 0.64 -0.28 0.00 0.02 0.00 0.00 55.36 56.31 1c3h s GLN 193 Cb 0.36 -2.79 0.10 0.00 1.00 0.00 0.00 33.01 31.68 1c3h s GLN 193 CO -0.17 0.37 0.87 -1.83 -2.12 0.00 0.00 175.29 172.41 1c3h s GLU 194 N -2.25 0.87 -1.32 2.91 -1.05 -1.26 -4.96 118.70 111.65 1c3h s GLU 194 Ca 0.44 -0.33 0.00 0.00 -0.15 0.00 0.00 54.97 54.93 1c3h s GLU 194 Cb -0.14 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1c3h s GLU 194 CO 0.20 -0.38 0.00 0.36 0.95 0.00 0.00 175.26 176.39 1c3h n LYS 195 N -0.26 -1.41 -2.32 -4.83 2.85 -1.26 -2.12 118.16 108.81 1c3h n LYS 195 Ca -0.09 0.92 -0.19 0.00 -1.05 0.00 0.00 58.31 57.89 1c3h n LYS 195 Cb 0.62 -5.19 -0.01 0.00 -0.65 0.00 0.00 35.03 29.79 1c3h n LYS 195 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1c3h n ASN 196 N -0.91 -5.49 -3.80 -5.58 0.23 -1.26 -4.84 115.26 93.60 1c3h n ASN 196 Ca -0.12 0.01 -0.25 0.00 -0.53 0.00 0.00 54.58 53.68 1c3h n ASN 196 Cb 0.54 -4.55 -0.17 0.00 -2.08 0.00 0.00 39.78 33.53 1c3h n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1c3h s VAL 197 N -2.94 0.59 -0.12 3.53 1.01 -0.90 -0.17 120.40 121.39 1c3h s VAL 197 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1c3h s VAL 197 Cb 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1c3h s VAL 197 CO 0.00 0.21 -0.15 -0.62 0.00 0.00 0.00 175.10 174.54 1c3h s ASP 198 N 1.88 3.84 -0.49 3.32 3.68 0.84 -4.14 116.67 125.60 1c3h s ASP 198 Ca 0.04 -0.37 -0.01 0.00 2.13 0.00 0.00 52.55 54.34 1c3h s ASP 198 Cb -0.13 -1.56 0.13 0.00 -1.45 0.00 0.00 42.92 39.91 1c3h s ASP 198 CO -0.06 0.17 0.28 -1.10 0.13 0.00 0.00 175.17 174.58 1c3h s GLN 199 N 0.33 2.15 0.07 4.34 -0.21 -1.26 0.13 119.66 125.20 1c3h s GLN 199 Ca -0.12 -2.16 0.01 0.00 0.02 0.00 0.00 55.36 53.11 1c3h s GLN 199 Cb -0.16 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 1c3h s GLN 199 CO 0.06 -1.10 0.18 0.00 -2.12 0.00 0.00 175.29 172.31 1c3h s ALA 200 N 0.54 3.90 0.05 6.09 0.00 -0.08 -4.93 121.76 127.32 1c3h s ALA 200 Ca 0.12 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 1c3h s ALA 200 Cb -0.22 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 1c3h s ALA 200 CO -0.04 0.80 0.12 -1.54 0.00 0.00 0.00 175.76 175.10 1c3h s SER 201 N -2.51 0.18 -0.00 0.00 1.04 -1.26 -0.39 113.70 110.76 1c3h s SER 201 Ca 0.34 -0.59 -0.29 0.00 0.48 0.00 0.00 55.95 55.89 1c3h s SER 201 Cb -0.13 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.35 1c3h s SER 201 CO 0.27 -0.58 0.95 -0.83 0.98 0.00 0.00 173.24 174.03 1c3h s GLY 202 N -2.38 -0.41 -0.06 7.32 0.00 -0.54 -4.99 107.32 106.26 1c3h s GLY 202 Ca -0.01 0.93 -0.18 0.00 0.00 0.00 0.00 44.72 45.46 1c3h s GLY 202 CO -0.07 0.30 0.41 -1.35 0.00 0.00 0.00 173.10 172.39 1c3h s SER 203 N -2.54 -0.35 0.02 1.64 1.04 -1.26 -1.32 113.70 110.93 1c3h s SER 203 Ca 0.07 0.42 -0.28 0.00 0.48 0.00 0.00 55.95 56.64 1c3h s SER 203 Cb -0.01 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1c3h s SER 203 CO -0.07 -0.40 0.90 0.54 0.98 0.00 0.00 173.24 175.20 1c3h s VAL 204 N -0.87 0.00 -0.13 5.02 0.11 -0.27 -4.99 120.40 119.26 1c3h s VAL 204 Ca -0.09 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1c3h s VAL 204 Cb -0.04 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1c3h s VAL 204 CO 0.04 0.00 -0.09 -0.76 -3.33 0.00 0.00 175.10 170.97 1c3h s LEU 205 N -2.55 2.98 -0.04 2.54 1.43 -1.26 -0.38 118.68 121.40 1c3h s LEU 205 Ca 0.06 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1c3h s LEU 205 Cb -0.01 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1c3h s LEU 205 CO -0.07 0.19 -0.10 -0.76 0.23 0.00 0.00 176.35 175.84 1c3h s LEU 206 N 0.20 1.73 -0.06 1.79 1.43 0.23 -4.96 118.68 119.04 1c3h s LEU 206 Ca -0.05 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 1c3h s LEU 206 Cb -0.15 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1c3h s LEU 206 CO 0.04 0.06 0.66 -2.28 0.23 0.00 0.00 176.35 175.06 1c3h s HIS 207 N 0.34 3.60 0.14 0.29 5.65 -1.26 -0.69 115.29 123.35 1c3h s HIS 207 Ca -0.06 1.22 0.09 0.00 0.25 0.00 0.00 55.06 56.56 1c3h s HIS 207 Cb -0.11 -2.75 -0.04 0.00 -1.18 0.00 0.00 32.58 28.50 1c3h s HIS 207 CO 0.01 0.15 -0.21 -0.51 -0.65 0.00 0.00 174.74 173.53 1c3h s LEU 208 N 0.58 2.38 0.24 8.88 1.43 0.18 -4.97 118.68 127.39 1c3h s LEU 208 Ca 0.35 -0.79 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 1c3h s LEU 208 Cb -0.18 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1c3h s LEU 208 CO 0.17 0.04 0.00 -1.61 0.23 0.00 0.00 176.35 175.19 1c3h s GLU 209 N -2.39 2.34 0.26 1.70 0.41 -1.26 -1.51 118.70 118.24 1c3h s GLU 209 Ca 0.13 -1.32 -0.31 0.00 -0.41 0.00 0.00 54.97 53.06 1c3h s GLU 209 Cb -0.08 -2.22 -0.13 0.00 -1.78 0.00 0.00 34.13 29.92 1c3h s GLU 209 CO 0.06 0.39 1.47 0.28 -0.49 0.00 0.00 175.26 176.97 1c3h n VAL 210 N -0.69 1.01 0.00 2.63 0.31 -1.26 -1.40 118.33 118.93 1c3h n VAL 210 Ca -0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1c3h n VAL 210 Cb 0.58 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1c3h n VAL 210 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c3h n GLY 211 N 2.12 3.30 3.72 2.92 0.00 0.37 -4.99 105.19 112.63 1c3h n GLY 211 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1c3h n GLY 211 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c3h s ASP 212 N -0.35 6.43 -0.02 1.61 1.01 -0.49 -4.69 116.67 120.17 1c3h s ASP 212 Ca 0.00 2.82 -0.01 0.00 0.71 0.00 0.00 52.55 56.07 1c3h s ASP 212 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1c3h s ASP 212 CO 0.00 -0.93 0.07 -1.10 0.21 0.00 0.00 175.17 173.42 1c3h s GLN 213 N 0.99 3.04 -0.02 8.23 -0.21 -1.26 -1.13 119.66 129.30 1c3h s GLN 213 Ca 0.72 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 55.64 1c3h s GLN 213 Cb -0.48 -2.85 0.01 0.00 1.00 0.00 0.00 33.01 30.69 1c3h s GLN 213 CO 0.33 0.65 -0.05 0.08 -2.12 0.00 0.00 175.29 174.19 1c3h s VAL 214 N -1.15 0.49 0.27 1.09 1.01 -0.66 0.12 120.40 121.56 1c3h s VAL 214 Ca 0.21 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 1c3h s VAL 214 Cb -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1c3h s VAL 214 CO 0.12 0.18 0.70 -1.66 0.00 0.00 0.00 175.10 174.44 1c3h s TRP 215 N 0.38 -0.22 0.00 5.22 -2.14 -0.72 -1.02 118.94 120.45 1c3h s TRP 215 Ca -0.05 -0.21 0.02 0.00 2.66 0.00 0.00 56.10 58.52 1c3h s TRP 215 Cb -0.08 0.68 -0.04 0.00 -3.10 0.00 0.00 33.47 30.93 1c3h s TRP 215 CO -0.00 -1.19 -0.00 -0.51 -2.66 0.00 0.00 176.95 172.59 1c3h s LEU 216 N -2.90 3.49 -0.04 -4.66 1.43 -1.26 0.33 118.68 115.08 1c3h s LEU 216 Ca 0.10 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1c3h s LEU 216 Cb -0.05 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1c3h s LEU 216 CO 0.05 0.28 0.15 -1.10 0.23 0.00 0.00 176.35 175.95 1c3h s GLN 217 N -1.57 0.28 0.25 1.70 -0.21 0.08 -0.70 119.66 119.50 1c3h s GLN 217 Ca 0.20 -0.00 0.11 0.00 0.02 0.00 0.00 55.36 55.69 1c3h s GLN 217 Cb -0.11 0.13 -0.05 0.00 1.00 0.00 0.00 33.01 33.97 1c3h s GLN 217 CO 0.10 -0.05 -0.20 0.14 -2.12 0.00 0.00 175.29 173.16 1c3h s VAL 218 N -0.43 2.34 0.03 1.09 -7.23 -1.26 -0.21 120.40 114.74 1c3h s VAL 218 Ca -0.05 -2.29 0.01 0.00 -1.81 0.00 0.00 61.98 57.84 1c3h s VAL 218 Cb -0.03 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 1c3h s VAL 218 CO 0.01 -0.36 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.08 1c3h s TYR 219 N -2.38 0.42 0.00 2.82 1.51 0.09 -0.06 117.35 119.76 1c3h s TYR 219 Ca 0.27 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1c3h s TYR 219 Cb -0.05 -0.28 0.00 0.00 -0.11 0.00 0.00 41.96 41.52 1c3h s TYR 219 CO 0.13 -0.16 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 1c3h n GLY 220 N 1.47 0.91 3.54 0.71 0.00 -1.26 -0.82 105.19 109.74 1c3h n GLY 220 Ca -0.23 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1c3h n GLY 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c3h s ASP 221 N 0.00 6.36 0.00 1.61 1.11 0.46 -4.86 116.67 121.34 1c3h s ASP 221 Ca 0.00 -0.14 0.00 0.00 0.18 0.00 0.00 52.55 52.59 1c3h s ASP 221 Cb 0.00 -2.32 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1c3h s ASP 221 CO 0.00 -0.69 0.82 0.61 1.18 0.00 0.00 175.17 177.08 1c3h n GLY 222 N 4.89 1.36 0.24 0.21 0.00 -1.26 0.37 105.19 110.99 1c3h n GLY 222 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1c3h n GLY 222 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1c3h h ASP 223 N 0.00 0.00 -2.30 1.61 3.32 -1.94 -3.35 116.42 113.77 1c3h h ASP 223 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1c3h h ASP 223 Cb 0.33 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.48 1c3h h ASP 223 CO 0.00 0.20 -0.93 1.57 -1.72 0.00 0.00 179.24 178.36 1c3h n HIS 224 N -3.57 0.34 -3.78 4.55 -0.00 -1.26 -5.11 115.22 106.38 1c3h n HIS 224 Ca -0.01 -3.63 -0.30 0.00 0.46 0.00 0.00 57.72 54.24 1c3h n HIS 224 Cb 0.34 -0.17 -0.04 0.00 -0.12 0.00 0.00 29.99 30.00 1c3h n HIS 224 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1c3h s ASN 225 N -0.89 6.41 0.23 0.26 0.01 -1.26 -4.99 114.94 114.71 1c3h s ASN 225 Ca 0.34 0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.90 1c3h s ASN 225 Cb 0.09 -2.02 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1c3h s ASN 225 CO -0.14 0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.14 1c3h n GLY 226 N -0.02 -2.67 3.75 0.66 0.00 -1.26 -4.96 105.19 100.68 1c3h n GLY 226 Ca -0.04 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1c3h n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c3h s LEU 227 N 0.00 4.55 0.00 0.99 2.96 -1.26 -5.06 118.68 120.86 1c3h s LEU 227 Ca 0.00 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 1c3h s LEU 227 Cb 0.00 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.22 1c3h s LEU 227 CO 0.00 0.06 0.00 0.00 -1.32 0.00 0.00 176.35 175.09 1c3h n TYR 228 N 2.21 -0.10 -3.78 5.38 9.36 -1.26 -5.11 117.16 123.86 1c3h n TYR 228 Ca -0.01 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.25 1c3h n TYR 228 Cb 0.49 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 1c3h n TYR 228 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1c3h s ALA 229 N -2.43 -2.60 0.13 2.98 0.00 -1.26 -5.04 121.76 113.54 1c3h s ALA 229 Ca 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1c3h s ALA 229 Cb 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1c3h s ALA 229 CO 0.00 -1.11 1.17 -0.40 0.00 0.00 0.00 175.76 175.42 1c3h n ASP 230 N -0.73 -0.76 0.00 0.00 5.75 -1.26 -4.83 116.55 114.72 1c3h n ASP 230 Ca -0.03 1.35 0.00 0.00 -0.01 0.00 0.00 54.79 56.10 1c3h n ASP 230 Cb 0.61 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1c3h n ASP 230 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1c3h n ASN 231 N -4.98 0.00 -3.66 -1.12 2.85 -1.26 -4.93 115.26 102.16 1c3h n ASN 231 Ca 0.03 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.20 1c3h n ASN 231 Cb 0.22 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.27 1c3h n ASN 231 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1c3h n VAL 232 N 0.00 -5.88 -3.97 3.44 0.31 -1.25 -4.96 118.33 106.02 1c3h n VAL 232 Ca 0.00 -0.85 -0.31 0.00 -0.01 0.00 0.00 64.34 63.17 1c3h n VAL 232 Cb 0.00 -4.36 -0.16 0.00 -0.91 0.00 0.00 33.84 28.42 1c3h n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1c3h s ASN 233 N -3.40 3.80 -0.15 4.52 3.04 -0.80 -5.07 114.94 116.88 1c3h s ASN 233 Ca 0.42 -1.12 -0.29 0.00 0.04 0.00 0.00 52.86 51.90 1c3h s ASN 233 Cb -0.15 -1.25 -0.03 0.00 -1.54 0.00 0.00 41.25 38.28 1c3h s ASN 233 CO 0.86 -0.20 1.47 -1.81 -3.04 0.00 0.00 177.10 174.38 1c3h s ASP 234 N 1.35 6.72 -0.11 -4.21 -0.00 -1.26 -3.84 116.67 115.32 1c3h s ASP 234 Ca -0.05 1.83 -0.04 0.00 -0.00 0.00 0.00 52.55 54.29 1c3h s ASP 234 Cb -0.18 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.17 1c3h s ASP 234 CO -0.07 -0.94 0.06 -0.44 -0.00 0.00 0.00 175.17 173.79 1c3h s SER 235 N 2.96 5.73 0.10 0.27 0.01 -1.26 -4.90 113.70 116.62 1c3h s SER 235 Ca 0.65 0.27 0.04 0.00 1.31 0.00 0.00 55.95 58.21 1c3h s SER 235 Cb -0.26 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1c3h s SER 235 CO 0.23 0.37 -0.11 0.42 0.41 0.00 0.00 173.24 174.56 1c3h s THR 236 N -0.81 1.02 -0.05 1.44 -4.23 0.41 -2.25 115.64 111.16 1c3h s THR 236 Ca 0.13 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 1c3h s THR 236 Cb -0.12 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.37 1c3h s THR 236 CO 0.03 -0.52 0.04 0.12 -0.54 0.00 0.00 174.62 173.74 1c3h s PHE 237 N -2.36 0.25 0.09 3.99 5.36 0.47 -1.17 117.98 124.61 1c3h s PHE 237 Ca 0.06 0.12 0.04 0.00 -0.96 0.00 0.00 56.93 56.19 1c3h s PHE 237 Cb -0.03 -0.57 -0.03 0.00 -0.34 0.00 0.00 43.02 42.05 1c3h s PHE 237 CO 0.01 -0.23 -0.11 0.99 -1.46 0.00 0.00 175.22 174.42 1c3h s THR 238 N 2.03 0.96 -0.08 0.12 2.01 0.13 -0.42 115.64 120.39 1c3h s THR 238 Ca 0.04 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.19 1c3h s THR 238 Cb -0.12 -1.26 0.10 0.00 0.01 0.00 0.00 72.50 71.23 1c3h s THR 238 CO -0.04 -0.48 0.85 -0.83 -0.69 0.00 0.00 174.62 173.43 1c3h s GLY 239 N -2.26 -0.43 -0.11 4.40 0.00 0.04 -0.92 107.32 108.05 1c3h s GLY 239 Ca 0.03 1.54 -0.30 0.00 0.00 0.00 0.00 44.72 45.99 1c3h s GLY 239 CO 0.01 0.85 0.74 -0.11 0.00 0.00 0.00 173.10 174.59 1c3h s PHE 240 N -1.60 -0.63 0.04 1.90 -0.12 -0.61 -0.95 117.98 116.01 1c3h s PHE 240 Ca -0.04 1.18 -0.30 0.00 -0.05 0.00 0.00 56.93 57.72 1c3h s PHE 240 Cb -0.00 0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 42.72 1c3h s PHE 240 CO 0.02 -0.53 1.26 -1.17 -0.05 0.00 0.00 175.22 174.76 1c3h s LEU 241 N -0.89 4.35 -0.17 -1.99 2.96 0.16 -1.32 118.68 121.78 1c3h s LEU 241 Ca -0.08 2.05 -0.15 0.00 -0.22 0.00 0.00 54.13 55.74 1c3h s LEU 241 Cb -0.01 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1c3h s LEU 241 CO 0.07 -0.56 -0.28 -0.11 -1.32 0.00 0.00 176.35 174.15 1c3h n LEU 242 N 4.37 1.89 -4.00 -0.68 0.00 0.26 -4.85 117.00 113.99 1c3h n LEU 242 Ca 0.10 0.45 -0.30 0.00 0.00 0.00 0.00 56.01 56.26 1c3h n LEU 242 Cb 0.45 -0.79 -0.16 0.00 0.00 0.00 0.00 43.42 42.92 1c3h n LEU 242 CO 0.56 -0.34 -0.47 -0.31 0.00 0.00 0.00 177.39 176.83 1c3h s TYR 243 N -2.64 2.22 0.30 1.96 2.02 -1.07 -4.97 117.35 115.17 1c3h s TYR 243 Ca -0.24 -1.34 -0.29 0.00 -0.37 0.00 0.00 57.07 54.84 1c3h s TYR 243 Cb 0.03 -1.59 -0.10 0.00 -0.40 0.00 0.00 41.96 39.90 1c3h s TYR 243 CO 0.35 -0.69 1.29 -1.58 -1.57 0.00 0.00 175.55 173.35 1c3h s HIS 244 N 1.47 3.14 0.46 2.71 5.65 -1.26 -0.48 115.29 126.98 1c3h s HIS 244 Ca 0.03 1.40 -0.24 0.00 0.25 0.00 0.00 55.06 56.49 1c3h s HIS 244 Cb -0.14 -3.63 -0.07 0.00 -1.18 0.00 0.00 32.58 27.56 1c3h s HIS 244 CO -0.10 -1.74 1.37 -0.51 -0.65 0.00 0.00 174.74 173.11 1c3h s ASP 245 N -0.38 5.84 0.00 9.88 1.11 0.75 -4.89 116.67 128.98 1c3h s ASP 245 Ca 0.50 2.79 0.00 0.00 0.18 0.00 0.00 52.55 56.02 1c3h s ASP 245 Cb -0.38 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 40.96 1c3h s ASP 245 CO 0.49 -1.18 0.00 0.41 1.18 0.00 0.00 175.17 176.06 1c3h n THR 246 N -0.34 0.00 -0.67 -1.27 -1.04 -1.26 -4.99 114.28 104.71 1c3h n THR 246 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1c3h n THR 246 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1c3h n THR 246 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02