#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekj s LYS 118 N 0.00 2.99 -0.14 -0.52 0.00 -1.26 -5.07 119.74 115.74 1ekj s LYS 118 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 55.97 54.83 1ekj s LYS 118 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 37.83 35.11 1ekj s LYS 118 CO 0.00 -0.17 0.89 0.45 0.00 0.00 0.00 175.35 176.52 1ekj s SER 119 N -4.24 7.08 0.15 0.03 0.15 -1.26 -4.94 113.70 110.66 1ekj s SER 119 Ca 0.49 1.32 -0.22 0.00 0.70 0.00 0.00 55.95 58.24 1ekj s SER 119 Cb -0.10 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1ekj s SER 119 CO 0.34 -0.40 1.64 -0.33 1.20 0.00 0.00 173.24 175.69 1ekj h GLU 120 N 7.19 -0.22 0.00 5.44 3.07 -1.98 0.18 114.58 128.27 1ekj h GLU 120 Ca -0.31 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.59 1ekj h GLU 120 Cb 1.14 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 1ekj h GLU 120 CO 0.84 -0.15 -0.15 0.00 -1.40 0.00 0.00 179.01 178.16 1ekj h ALA 121 N 0.84 -0.18 -0.22 3.43 0.00 -1.98 0.54 119.26 121.68 1ekj h ALA 121 Ca 0.13 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ekj h ALA 121 Cb 0.42 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1ekj h ALA 121 CO -0.35 -0.64 -0.01 0.77 0.00 0.00 0.00 179.25 179.02 1ekj h SER 122 N -0.25 -0.12 -0.43 0.00 0.02 -1.87 -0.52 113.55 110.39 1ekj h SER 122 Ca 0.05 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1ekj h SER 122 Cb 0.31 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1ekj h SER 122 CO -0.14 -0.03 0.26 -0.08 -1.14 0.00 0.00 176.83 175.70 1ekj h GLU 123 N 0.05 0.52 -0.93 3.45 4.57 -0.20 0.70 114.58 122.74 1ekj h GLU 123 Ca 0.11 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.38 1ekj h GLU 123 Cb 0.14 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 1ekj h GLU 123 CO -0.19 0.35 0.59 -0.09 -1.18 0.00 0.00 179.01 178.49 1ekj h ARG 124 N 0.54 0.83 0.20 1.92 1.12 0.56 0.16 114.38 119.71 1ekj h ARG 124 Ca 0.17 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 1ekj h ARG 124 Cb -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.75 1ekj h ARG 124 CO -0.06 0.55 -0.10 0.82 -3.11 0.00 0.00 179.97 178.07 1ekj h ILE 125 N 0.86 0.89 -0.36 1.20 2.04 0.18 -2.21 117.51 120.10 1ekj h ILE 125 Ca 0.45 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.60 1ekj h ILE 125 Cb 0.54 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 1ekj h ILE 125 CO -0.21 0.17 -0.09 0.50 0.00 0.00 0.00 178.15 178.51 1ekj h LYS 126 N -0.68 -0.00 -0.06 2.37 3.64 0.17 -1.42 116.57 120.59 1ekj h LYS 126 Ca -0.03 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1ekj h LYS 126 Cb 0.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ekj h LYS 126 CO 0.05 -0.00 -0.23 1.79 -2.27 0.00 0.00 179.45 178.78 1ekj h THR 127 N -0.00 1.20 -0.06 1.00 1.35 -0.78 -1.16 112.91 114.45 1ekj h THR 127 Ca 0.17 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 1ekj h THR 127 Cb 0.27 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1ekj h THR 127 CO -0.37 0.27 -0.03 1.23 -0.25 0.00 0.00 175.52 176.38 1ekj h GLY 128 N 0.82 0.14 1.29 5.82 0.00 -0.66 -1.75 103.07 108.73 1ekj h GLY 128 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1ekj h GLY 128 CO 0.03 0.11 0.05 -2.75 0.00 0.00 0.00 176.54 173.99 1ekj h PHE 129 N -0.24 0.92 -0.29 5.60 3.57 -1.10 -1.31 116.94 124.09 1ekj h PHE 129 Ca 0.01 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 1ekj h PHE 129 Cb 0.45 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1ekj h PHE 129 CO 0.06 0.81 0.17 -0.07 -2.23 0.00 0.00 178.31 177.05 1ekj h LEU 130 N 0.82 0.35 -0.21 0.59 3.38 -1.20 0.42 115.31 119.46 1ekj h LEU 130 Ca 0.16 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1ekj h LEU 130 Cb 0.42 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1ekj h LEU 130 CO 0.01 0.32 -0.02 -0.74 0.09 0.00 0.00 178.44 178.10 1ekj h HIS 131 N 0.36 -0.06 0.01 1.13 2.76 -0.93 -1.55 115.15 116.87 1ekj h HIS 131 Ca 0.10 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1ekj h HIS 131 Cb 0.04 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1ekj h HIS 131 CO -0.04 -0.06 -0.14 0.35 -1.30 0.00 0.00 177.93 176.75 1ekj h PHE 132 N 0.04 -0.36 -0.54 5.26 3.57 -0.77 -1.11 116.94 123.03 1ekj h PHE 132 Ca 0.10 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.70 1ekj h PHE 132 Cb 0.14 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 1ekj h PHE 132 CO -0.20 -0.21 0.13 -0.22 -2.23 0.00 0.00 178.31 175.58 1ekj h LYS 133 N -0.24 0.27 0.14 1.11 3.11 0.31 0.25 116.57 121.53 1ekj h LYS 133 Ca 0.05 -0.02 -0.26 0.00 -2.81 0.00 0.00 60.65 57.61 1ekj h LYS 133 Cb 0.29 -0.06 0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1ekj h LYS 133 CO -0.13 0.18 -1.28 1.57 -2.81 0.00 0.00 179.45 176.98 1ekj h LYS 134 N 0.28 0.30 0.08 1.90 2.10 -1.24 -0.66 116.57 119.32 1ekj h LYS 134 Ca 0.27 -0.52 -0.26 0.00 -2.00 0.00 0.00 60.65 58.15 1ekj h LYS 134 Cb 0.37 0.19 0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1ekj h LYS 134 CO -0.33 1.25 -1.12 0.93 -2.00 0.00 0.00 179.45 178.17 1ekj h GLU 135 N -0.25 0.42 0.00 0.07 4.39 -1.21 -3.34 114.58 114.66 1ekj h GLU 135 Ca -0.26 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 58.89 1ekj h GLU 135 Cb 1.79 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1ekj h GLU 135 CO 0.12 1.21 0.00 1.63 -1.16 0.00 0.00 179.01 180.81 1ekj n LYS 136 N -3.69 0.00 -0.30 2.33 5.02 0.80 -4.29 118.16 118.03 1ekj n LYS 136 Ca -0.09 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.30 1ekj n LYS 136 Cb 0.94 -0.26 0.24 0.00 -0.02 0.00 0.00 35.03 35.92 1ekj n LYS 136 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ekj h TYR 137 N 0.00 0.00 0.05 2.13 3.20 -1.37 -1.87 116.97 119.11 1ekj h TYR 137 Ca 0.00 0.06 -0.25 0.00 3.14 0.00 0.00 58.73 61.68 1ekj h TYR 137 Cb 0.00 0.14 0.02 0.00 1.54 0.00 0.00 36.73 38.43 1ekj h TYR 137 CO 0.00 -0.32 -1.01 -0.44 -1.64 0.00 0.00 178.16 174.74 1ekj h ASP 138 N 0.08 0.81 0.00 -2.11 3.32 -1.29 -3.29 116.42 113.94 1ekj h ASP 138 Ca 0.52 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1ekj h ASP 138 Cb 1.01 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1ekj h ASP 138 CO -0.79 1.50 0.00 0.29 -1.72 0.00 0.00 179.24 178.52 1ekj n LYS 139 N -3.92 0.92 -2.63 3.56 5.02 -0.71 -3.52 118.16 116.88 1ekj n LYS 139 Ca -0.12 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.12 1ekj n LYS 139 Cb 0.87 -1.04 0.07 0.00 -0.02 0.00 0.00 35.03 34.91 1ekj n LYS 139 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ekj n ASN 140 N 0.75 -1.53 0.04 4.39 3.02 -1.16 -4.96 115.26 115.82 1ekj n ASN 140 Ca 0.00 -2.10 0.19 0.00 -0.03 0.00 0.00 54.58 52.64 1ekj n ASN 140 Cb 0.46 0.94 0.71 0.00 -0.61 0.00 0.00 39.78 41.28 1ekj n ASN 140 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ekj h PRO 141 N 1.54 0.00 0.86 3.52 0.13 -1.71 -2.01 132.00 134.34 1ekj h PRO 141 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1ekj h PRO 141 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ekj h PRO 141 CO -0.13 0.00 -0.41 0.00 -0.23 0.00 0.00 178.00 177.23 1ekj h ALA 142 N 1.73 -1.16 0.01 -0.56 0.00 -1.93 -1.58 119.26 115.77 1ekj h ALA 142 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ekj h ALA 142 Cb 0.91 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ekj h ALA 142 CO -0.00 -1.13 -0.02 1.25 0.00 0.00 0.00 179.25 179.35 1ekj h LEU 143 N -1.21 -0.07 -0.72 0.00 5.85 -1.78 -2.33 115.31 115.05 1ekj h LEU 143 Ca -0.12 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ekj h LEU 143 Cb 0.89 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1ekj h LEU 143 CO 0.19 -0.03 0.00 -1.22 -0.34 0.00 0.00 178.44 177.05 1ekj n TYR 144 N -2.58 0.38 0.03 1.25 4.02 -1.09 -0.75 117.16 118.42 1ekj n TYR 144 Ca -0.00 0.20 -0.09 0.00 -0.01 0.00 0.00 57.90 57.99 1ekj n TYR 144 Cb 0.02 -0.82 0.05 0.00 -0.02 0.00 0.00 39.34 38.57 1ekj n TYR 144 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1ekj h GLY 145 N 0.14 0.51 0.00 2.72 0.00 -0.72 -2.60 103.07 103.13 1ekj h GLY 145 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1ekj h GLY 145 CO 0.00 0.58 -0.47 0.83 0.00 0.00 0.00 176.54 177.47 1ekj h GLU 146 N 0.34 0.00 -0.70 4.80 4.39 -0.78 -3.34 114.58 119.30 1ekj h GLU 146 Ca -0.01 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.89 1ekj h GLU 146 Cb 1.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1ekj h GLU 146 CO 0.11 0.62 0.83 -0.07 -1.16 0.00 0.00 179.01 179.34 1ekj h LEU 147 N -1.00 0.00 -0.03 1.33 3.38 -1.21 1.88 115.31 119.66 1ekj h LEU 147 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ekj h LEU 147 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1ekj h LEU 147 CO -0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1ekj n ALA 148 N -2.26 2.19 -0.03 1.53 0.00 -0.98 -3.21 120.51 117.74 1ekj n ALA 148 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 1ekj n ALA 148 Cb 1.06 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 1ekj n ALA 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ekj n LYS 149 N -1.65 0.65 0.00 0.00 5.02 0.64 -5.07 118.16 117.74 1ekj n LYS 149 Ca 0.06 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1ekj n LYS 149 Cb 0.32 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1ekj n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ekj n GLY 150 N 1.54 -0.37 3.32 0.72 0.00 -1.15 -5.15 105.19 104.10 1ekj n GLY 150 Ca -0.18 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 1ekj n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ekj s GLN 151 N -2.00 1.26 -0.46 1.61 -2.07 -1.26 -4.35 119.66 112.38 1ekj s GLN 151 Ca 0.00 -1.56 0.06 0.00 -1.82 0.00 0.00 55.36 52.03 1ekj s GLN 151 Cb 0.00 -0.94 0.28 0.00 -1.09 0.00 0.00 33.01 31.26 1ekj s GLN 151 CO 0.00 0.13 1.03 -1.13 -1.32 0.00 0.00 175.29 174.00 1ekj n SER 152 N -0.34 -2.53 -4.78 12.60 3.41 -1.26 -5.00 113.62 115.72 1ekj n SER 152 Ca -0.08 -3.40 -0.37 0.00 -0.26 0.00 0.00 58.87 54.76 1ekj n SER 152 Cb 0.61 1.83 -0.03 0.00 -0.26 0.00 0.00 64.21 66.36 1ekj n SER 152 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ekj s PRO 153 N 0.45 4.05 0.18 4.33 0.04 -1.19 -4.92 135.00 137.93 1ekj s PRO 153 Ca 0.27 1.64 0.24 0.00 0.04 0.00 0.00 61.00 63.18 1ekj s PRO 153 Cb 0.26 -2.54 0.25 0.00 0.04 0.00 0.00 34.50 32.51 1ekj s PRO 153 CO -0.15 -0.27 1.27 -1.00 0.04 0.00 0.00 177.00 176.89 1ekj h PRO 154 N 2.42 0.00 -6.22 0.56 0.13 -1.76 -3.38 132.00 123.75 1ekj h PRO 154 Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 1ekj h PRO 154 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 1ekj h PRO 154 CO 0.62 0.00 -0.65 -0.06 -0.23 0.00 0.00 178.00 177.68 1ekj s PHE 155 N -3.23 2.70 -0.04 1.56 0.40 -1.15 -0.82 117.98 117.40 1ekj s PHE 155 Ca 0.04 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1ekj s PHE 155 Cb 0.11 -1.21 0.03 0.00 0.51 0.00 0.00 43.02 42.46 1ekj s PHE 155 CO 0.73 0.61 -0.01 1.41 0.70 0.00 0.00 175.22 178.67 1ekj s MET 156 N -3.61 0.45 -0.02 0.44 -2.45 -0.35 -1.85 119.30 111.92 1ekj s MET 156 Ca 0.31 0.04 0.05 0.00 -1.25 0.00 0.00 55.69 54.84 1ekj s MET 156 Cb -0.07 -0.61 -0.01 0.00 1.25 0.00 0.00 34.83 35.40 1ekj s MET 156 CO 0.20 -0.14 -0.17 0.08 1.05 0.00 0.00 175.02 176.04 1ekj s VAL 157 N 1.08 1.38 -0.27 10.11 1.01 0.83 -1.38 120.40 133.15 1ekj s VAL 157 Ca -0.09 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1ekj s VAL 157 Cb -0.14 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1ekj s VAL 157 CO -0.01 0.39 -0.01 -0.36 0.00 0.00 0.00 175.10 175.11 1ekj s PHE 158 N -0.30 3.12 0.22 5.22 0.40 0.70 -0.22 117.98 127.11 1ekj s PHE 158 Ca 0.04 -1.44 0.03 0.00 -0.60 0.00 0.00 56.93 54.96 1ekj s PHE 158 Cb -0.08 -2.12 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 1ekj s PHE 158 CO -0.00 -0.70 0.02 0.00 0.70 0.00 0.00 175.22 175.24 1ekj s ALA 159 N 1.36 1.64 0.59 5.36 0.00 -0.74 0.39 121.76 130.37 1ekj s ALA 159 Ca 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 51.96 50.07 1ekj s ALA 159 Cb -0.17 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1ekj s ALA 159 CO -0.02 -0.31 1.08 0.00 0.00 0.00 0.00 175.76 176.51 1ekj h SER 161 N 0.61 0.19 -0.13 0.00 0.02 -1.74 -3.43 113.55 109.07 1ekj h SER 161 Ca -0.48 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.27 1ekj h SER 161 Cb 1.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1ekj h SER 161 CO 0.57 0.65 0.07 -0.67 -1.14 0.00 0.00 176.83 176.30 1ekj n ASP 162 N -3.96 0.11 -0.04 3.07 -0.08 -1.26 -4.77 116.55 109.61 1ekj n ASP 162 Ca -0.02 0.15 0.20 0.00 -1.51 0.00 0.00 54.79 53.62 1ekj n ASP 162 Cb 0.53 -0.12 0.66 0.00 2.34 0.00 0.00 41.12 44.53 1ekj n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1ekj h SER 163 N 0.58 0.08 0.49 1.67 4.64 -2.03 -2.48 113.55 116.49 1ekj h SER 163 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1ekj h SER 163 Cb 0.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ekj h SER 163 CO 0.12 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.66 1ekj n ARG 164 N -4.39 0.45 -2.48 4.77 1.74 -1.26 -4.22 116.66 111.26 1ekj n ARG 164 Ca 0.11 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 57.00 1ekj n ARG 164 Cb 0.62 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 1ekj n ARG 164 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1ekj n VAL 165 N -1.26 2.01 -1.73 1.55 0.24 -0.93 -5.02 118.33 113.19 1ekj n VAL 165 Ca 0.14 -4.29 -0.42 0.00 -2.04 0.00 0.00 64.34 57.73 1ekj n VAL 165 Cb 0.21 -0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 31.90 1ekj n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ekj h PRO 167 N 9.56 0.27 -0.56 0.00 0.13 -1.96 -1.47 132.00 137.97 1ekj h PRO 167 Ca -0.47 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.81 1ekj h PRO 167 Cb 1.22 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1ekj h PRO 167 CO 0.94 0.18 0.54 0.77 -0.23 0.00 0.00 178.00 180.20 1ekj h SER 168 N 0.28 0.00 0.00 1.44 0.02 -1.89 -2.20 113.55 111.20 1ekj h SER 168 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ekj h SER 168 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1ekj h SER 168 CO -0.11 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 176.99 1ekj n HIS 169 N -3.81 0.00 -0.33 3.45 8.25 -0.61 -0.69 115.22 121.47 1ekj n HIS 169 Ca 0.11 0.00 0.32 0.00 -0.26 0.00 0.00 57.72 57.89 1ekj n HIS 169 Cb 0.76 -0.22 0.59 0.00 1.12 0.00 0.00 29.99 32.23 1ekj n HIS 169 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ekj h VAL 170 N 0.00 0.03 -0.44 1.59 2.07 -1.34 0.92 116.25 119.08 1ekj h VAL 170 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ekj h VAL 170 Cb 0.00 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ekj h VAL 170 CO 0.00 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.78 1ekj n LEU 171 N -5.20 3.20 -3.90 2.57 4.77 -0.83 -4.99 117.00 112.61 1ekj n LEU 171 Ca 0.38 -2.02 -0.30 0.00 -0.03 0.00 0.00 56.01 54.03 1ekj n LEU 171 Cb 1.28 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1ekj n LEU 171 CO 0.03 0.79 -0.19 -0.67 -1.33 0.00 0.00 177.39 176.02 1ekj n ASP 172 N 0.75 -2.23 -4.72 -1.43 4.64 0.32 -4.92 116.55 108.96 1ekj n ASP 172 Ca 0.15 -1.05 -0.41 0.00 -1.38 0.00 0.00 54.79 52.09 1ekj n ASP 172 Cb 0.48 -2.94 -0.04 0.00 -1.04 0.00 0.00 41.12 37.58 1ekj n ASP 172 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1ekj s PHE 173 N -3.78 3.69 0.42 -0.67 0.40 0.13 -4.99 117.98 113.18 1ekj s PHE 173 Ca 0.20 1.57 -0.03 0.00 -0.60 0.00 0.00 56.93 58.07 1ekj s PHE 173 Cb -0.08 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.44 1ekj s PHE 173 CO 0.89 0.12 0.69 -0.65 0.70 0.00 0.00 175.22 176.97 1ekj s GLN 174 N 0.54 3.52 0.38 0.44 -1.52 -1.26 -4.78 119.66 116.99 1ekj s GLN 174 Ca 0.45 -0.02 -0.27 0.00 -1.95 0.00 0.00 55.36 53.57 1ekj s GLN 174 Cb -0.21 -2.50 -0.11 0.00 -0.22 0.00 0.00 33.01 29.98 1ekj s GLN 174 CO 0.25 -0.05 1.28 -0.35 -0.25 0.00 0.00 175.29 176.17 1ekj n PRO 175 N -2.04 2.04 -0.52 2.91 -0.04 -1.26 -1.65 135.00 134.44 1ekj n PRO 175 Ca -0.02 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1ekj n PRO 175 Cb 0.55 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1ekj n PRO 175 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ekj n GLY 176 N 0.78 1.30 0.10 0.55 0.00 -1.26 -4.92 105.19 101.74 1ekj n GLY 176 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1ekj n GLY 176 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ekj h GLU 177 N 3.20 0.04 -4.28 1.61 5.08 -1.67 -3.16 114.58 115.40 1ekj h GLU 177 Ca 0.00 -0.07 -0.49 0.00 -1.00 0.00 0.00 59.36 57.80 1ekj h GLU 177 Cb 0.00 0.03 -0.35 0.00 0.50 0.00 0.00 28.75 28.93 1ekj h GLU 177 CO 0.00 1.03 -0.80 0.00 -1.00 0.00 0.00 179.01 178.25 1ekj s ALA 178 N -2.35 1.11 -0.16 3.43 0.00 -1.26 -2.71 121.76 119.82 1ekj s ALA 178 Ca -0.25 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1ekj s ALA 178 Cb 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1ekj s ALA 178 CO 0.65 -0.11 1.12 0.12 0.00 0.00 0.00 175.76 177.54 1ekj s PHE 179 N 1.11 3.21 0.08 0.00 5.36 -0.77 -4.90 117.98 122.08 1ekj s PHE 179 Ca -0.07 1.33 0.08 0.00 -0.96 0.00 0.00 56.93 57.31 1ekj s PHE 179 Cb -0.14 -3.34 -0.04 0.00 -0.34 0.00 0.00 43.02 39.16 1ekj s PHE 179 CO -0.01 -0.90 -0.19 0.08 -1.46 0.00 0.00 175.22 172.74 1ekj s VAL 180 N 2.90 2.75 -0.05 3.12 1.01 -1.26 -0.12 120.40 128.76 1ekj s VAL 180 Ca 0.50 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1ekj s VAL 180 Cb -0.19 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1ekj s VAL 180 CO 0.13 0.20 -0.13 -0.69 0.00 0.00 0.00 175.10 174.61 1ekj s VAL 181 N -1.04 1.17 -0.06 2.92 1.01 0.69 -4.92 120.40 120.17 1ekj s VAL 181 Ca 0.16 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1ekj s VAL 181 Cb -0.10 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1ekj s VAL 181 CO 0.08 0.35 -0.09 -0.13 0.00 0.00 0.00 175.10 175.31 1ekj s ARG 182 N 0.38 1.36 0.33 2.72 0.52 -1.26 -1.79 118.95 121.21 1ekj s ARG 182 Ca -0.09 -0.28 -0.06 0.00 -0.52 0.00 0.00 55.73 54.77 1ekj s ARG 182 Cb -0.13 -1.21 0.01 0.00 0.52 0.00 0.00 34.95 34.14 1ekj s ARG 182 CO 0.03 -0.04 0.52 0.54 0.02 0.00 0.00 175.30 176.36 1ekj s ASN 183 N 0.85 0.57 -0.08 0.23 2.20 -1.10 -4.77 114.94 112.84 1ekj s ASN 183 Ca -0.12 -1.32 -0.29 0.00 -0.94 0.00 0.00 52.86 50.19 1ekj s ASN 183 Cb -0.15 0.67 -0.07 0.00 -2.00 0.00 0.00 41.25 39.70 1ekj s ASN 183 CO 0.01 -1.32 2.05 -0.69 -2.94 0.00 0.00 177.10 174.22 1ekj s VAL 184 N -3.15 3.05 -1.23 3.54 1.01 -1.26 -1.96 120.40 120.39 1ekj s VAL 184 Ca 0.27 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1ekj s VAL 184 Cb -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1ekj s VAL 184 CO 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1ekj n ALA 185 N 9.27 -0.31 -4.24 5.51 0.00 -1.26 -3.68 120.51 125.80 1ekj n ALA 185 Ca 0.24 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.47 1ekj n ALA 185 Cb 0.43 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1ekj n ALA 185 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ekj n ASN 186 N -0.36 -0.93 -4.74 0.00 0.23 -0.83 -4.89 115.26 103.74 1ekj n ASN 186 Ca -0.15 -1.15 -0.41 0.00 -0.53 0.00 0.00 54.58 52.35 1ekj n ASN 186 Cb 0.55 -1.45 -0.05 0.00 -2.08 0.00 0.00 39.78 36.74 1ekj n ASN 186 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1ekj s LEU 187 N -6.78 4.54 -0.40 -4.53 1.43 -1.24 -4.80 118.68 106.90 1ekj s LEU 187 Ca 0.54 1.79 -0.04 0.00 -1.03 0.00 0.00 54.13 55.39 1ekj s LEU 187 Cb -0.32 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.46 1ekj s LEU 187 CO 0.93 0.02 0.20 -0.69 0.23 0.00 0.00 176.35 177.04 1ekj s VAL 188 N -0.41 3.44 0.79 -1.59 1.01 -1.26 -4.98 120.40 117.41 1ekj s VAL 188 Ca 0.44 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.43 1ekj s VAL 188 Cb -0.24 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 32.94 1ekj s VAL 188 CO 0.29 -0.61 1.09 -2.16 0.00 0.00 0.00 175.10 173.72 1ekj s PRO 189 N 1.21 2.09 0.68 2.72 0.04 -1.26 -4.63 135.00 135.85 1ekj s PRO 189 Ca 0.06 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 1ekj s PRO 189 Cb -0.23 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1ekj s PRO 189 CO -0.03 -1.73 1.06 -1.25 0.04 0.00 0.00 177.00 175.08 1ekj s PRO 190 N -4.92 3.04 -0.22 0.56 0.04 -1.26 -4.79 135.00 127.45 1ekj s PRO 190 Ca 0.61 0.88 -0.39 0.00 0.04 0.00 0.00 61.00 62.15 1ekj s PRO 190 Cb -0.17 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 1ekj s PRO 190 CO 0.56 -1.01 1.70 0.98 0.04 0.00 0.00 177.00 179.28 1ekj n TYR 191 N -3.06 2.01 -3.15 0.56 9.36 -1.26 -4.86 117.16 116.75 1ekj n TYR 191 Ca 0.07 0.51 0.05 0.00 3.32 0.00 0.00 57.90 61.84 1ekj n TYR 191 Cb 0.54 -2.46 -0.01 0.00 -0.63 0.00 0.00 39.34 36.78 1ekj n TYR 191 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ekj s ASP 192 N 3.19 -0.99 0.44 2.98 -1.08 -1.26 -5.04 116.67 114.91 1ekj s ASP 192 Ca 0.96 0.40 0.30 0.00 -0.52 0.00 0.00 52.55 53.69 1ekj s ASP 192 Cb -1.03 1.74 1.31 0.00 -1.46 0.00 0.00 42.92 43.49 1ekj s ASP 192 CO 0.62 -0.18 1.90 1.56 0.52 0.00 0.00 175.17 179.59 1ekj h GLN 193 N 7.86 0.00 0.03 4.34 4.20 -1.92 -0.24 115.11 129.38 1ekj h GLN 193 Ca -0.13 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.24 1ekj h GLN 193 Cb 1.17 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.90 1ekj h GLN 193 CO 0.06 0.00 -2.07 0.00 -0.67 0.00 0.00 178.83 176.15 1ekj n ALA 194 N -1.96 1.34 -0.04 3.87 0.00 -1.26 -4.28 120.51 118.19 1ekj n ALA 194 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 53.44 52.54 1ekj n ALA 194 Cb 0.24 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 1ekj n ALA 194 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ekj n LYS 195 N -3.11 0.94 -2.51 0.00 5.02 -1.21 -4.74 118.16 112.55 1ekj n LYS 195 Ca -0.29 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 55.78 1ekj n LYS 195 Cb 1.07 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.72 1ekj n LYS 195 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ekj n TYR 196 N -2.26 2.03 0.17 2.13 0.53 -0.11 -4.85 117.16 114.80 1ekj n TYR 196 Ca -0.12 -2.45 0.04 0.00 -1.02 0.00 0.00 57.90 54.34 1ekj n TYR 196 Cb 0.66 -0.27 0.44 0.00 -1.03 0.00 0.00 39.34 39.13 1ekj n TYR 196 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ekj h ALA 197 N 2.56 1.58 0.49 -0.72 0.00 -1.74 -1.87 119.26 119.56 1ekj h ALA 197 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ekj h ALA 197 Cb 1.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1ekj h ALA 197 CO 0.52 0.31 -0.43 0.78 0.00 0.00 0.00 179.25 180.43 1ekj h GLY 198 N 0.68 -1.07 0.95 0.00 0.00 -1.92 0.06 103.07 101.77 1ekj h GLY 198 Ca 0.02 0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 1ekj h GLY 198 CO 0.02 -0.35 0.18 -0.84 0.00 0.00 0.00 176.54 175.55 1ekj h THR 199 N -0.92 1.15 -0.71 4.70 2.02 -1.93 -2.77 112.91 114.45 1ekj h THR 199 Ca -0.05 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1ekj h THR 199 Cb 0.80 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1ekj h THR 199 CO -0.03 0.16 0.47 1.23 0.37 0.00 0.00 175.52 177.72 1ekj h GLY 200 N 0.42 0.98 0.95 2.16 0.00 -1.25 -1.08 103.07 105.24 1ekj h GLY 200 Ca 0.12 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1ekj h GLY 200 CO -0.02 0.30 -0.24 0.00 0.00 0.00 0.00 176.54 176.58 1ekj h ALA 201 N 1.58 0.42 -0.31 3.60 0.00 -0.78 0.55 119.26 124.31 1ekj h ALA 201 Ca 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ekj h ALA 201 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ekj h ALA 201 CO -0.08 0.39 0.15 0.00 0.00 0.00 0.00 179.25 179.72 1ekj h ALA 202 N 0.71 0.40 -0.46 0.00 0.00 -1.18 0.20 119.26 118.94 1ekj h ALA 202 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ekj h ALA 202 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1ekj h ALA 202 CO 0.06 -0.04 0.13 0.82 0.00 0.00 0.00 179.25 180.23 1ekj h ILE 203 N 0.37 1.23 -0.43 0.00 2.04 -1.18 0.66 117.51 120.20 1ekj h ILE 203 Ca 0.11 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 1ekj h ILE 203 Cb 0.12 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1ekj h ILE 203 CO -0.01 0.28 -0.05 -0.08 0.00 0.00 0.00 178.15 178.29 1ekj h GLU 204 N 0.61 0.73 -0.03 2.37 4.81 -0.66 -0.66 114.58 121.76 1ekj h GLU 204 Ca 0.15 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1ekj h GLU 204 Cb 0.30 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1ekj h GLU 204 CO -0.00 0.77 -0.17 -0.92 -0.73 0.00 0.00 179.01 177.96 1ekj h TYR 205 N 0.67 0.22 0.19 0.92 3.20 -0.38 -2.37 116.97 119.42 1ekj h TYR 205 Ca 0.13 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ekj h TYR 205 Cb 0.49 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1ekj h TYR 205 CO 0.02 0.83 -0.10 0.00 -1.64 0.00 0.00 178.16 177.27 1ekj h ALA 206 N 0.35 -0.26 -0.10 1.82 0.00 -0.82 0.25 119.26 120.50 1ekj h ALA 206 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ekj h ALA 206 Cb 0.86 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ekj h ALA 206 CO 0.04 -0.65 -0.07 0.28 0.00 0.00 0.00 179.25 178.84 1ekj h VAL 207 N -0.27 1.34 0.00 0.00 2.07 -1.24 -0.56 116.25 117.59 1ekj h VAL 207 Ca -0.02 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1ekj h VAL 207 Cb 0.21 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1ekj h VAL 207 CO 0.04 0.33 -1.31 0.18 0.02 0.00 0.00 177.57 176.83 1ekj n LEU 208 N -4.69 0.55 -0.07 2.57 4.77 -0.89 -3.43 117.00 115.82 1ekj n LEU 208 Ca -0.07 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 1ekj n LEU 208 Cb 0.30 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1ekj n LEU 208 CO 0.37 -0.09 -0.93 1.41 -1.33 0.00 0.00 177.39 176.81 1ekj n HIS 209 N -2.44 0.00 1.02 -1.77 8.25 -0.05 -4.61 115.22 115.62 1ekj n HIS 209 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 1ekj n HIS 209 Cb 0.54 -0.50 0.06 0.00 1.12 0.00 0.00 29.99 31.20 1ekj n HIS 209 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ekj n LEU 210 N -2.93 0.92 -3.67 2.41 4.77 -0.42 -4.98 117.00 113.09 1ekj n LEU 210 Ca -0.23 -0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 55.15 1ekj n LEU 210 Cb 0.74 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.79 1ekj n LEU 210 CO 0.12 0.21 0.16 0.29 -1.33 0.00 0.00 177.39 176.85 1ekj n LYS 211 N -1.30 -6.62 -1.04 3.23 4.76 -0.33 -4.61 118.16 112.25 1ekj n LYS 211 Ca 0.06 0.73 -0.34 0.00 -2.87 0.00 0.00 58.31 55.89 1ekj n LYS 211 Cb 0.35 -5.70 0.10 0.00 -1.84 0.00 0.00 35.03 27.94 1ekj n LYS 211 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1ekj n VAL 212 N -4.81 1.10 0.39 -0.18 0.24 -0.54 -4.90 118.33 109.63 1ekj n VAL 212 Ca 0.01 -0.28 0.05 0.00 -2.04 0.00 0.00 64.34 62.08 1ekj n VAL 212 Cb 0.55 -0.78 0.02 0.00 -1.47 0.00 0.00 33.84 32.16 1ekj n VAL 212 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ekj n SER 213 N -1.28 1.43 -3.79 -1.34 7.64 -0.00 -4.73 113.62 111.55 1ekj n SER 213 Ca 0.09 -1.21 -0.13 0.00 1.01 0.00 0.00 58.87 58.63 1ekj n SER 213 Cb 0.51 0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.87 1ekj n SER 213 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ekj s ASN 214 N -1.05 -0.22 -0.10 6.43 0.01 -0.57 -1.35 114.94 118.09 1ekj s ASN 214 Ca 0.09 0.35 0.01 0.00 -0.71 0.00 0.00 52.86 52.60 1ekj s ASN 214 Cb 0.07 0.46 0.02 0.00 0.41 0.00 0.00 41.25 42.21 1ekj s ASN 214 CO 0.18 -0.20 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.82 1ekj s ILE 215 N -0.37 1.21 -0.11 0.60 1.01 -0.37 -1.21 121.20 121.98 1ekj s ILE 215 Ca -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1ekj s ILE 215 Cb -0.03 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.31 1ekj s ILE 215 CO 0.01 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.53 1ekj s VAL 216 N 1.12 1.27 -0.36 2.92 1.01 -0.48 -0.70 120.40 125.17 1ekj s VAL 216 Ca -0.05 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1ekj s VAL 216 Cb -0.14 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1ekj s VAL 216 CO -0.02 0.40 0.23 -0.69 0.00 0.00 0.00 175.10 175.02 1ekj s VAL 217 N 1.26 4.95 -0.25 2.92 1.01 -0.78 -0.22 120.40 129.29 1ekj s VAL 217 Ca -0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1ekj s VAL 217 Cb -0.14 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1ekj s VAL 217 CO -0.04 -0.13 0.09 -0.63 0.00 0.00 0.00 175.10 174.38 1ekj s ILE 218 N 1.64 4.50 0.59 2.22 1.01 0.16 -1.31 121.20 130.02 1ekj s ILE 218 Ca 0.04 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.65 1ekj s ILE 218 Cb -0.18 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.26 1ekj s ILE 218 CO 0.08 0.33 0.81 -0.83 0.00 0.00 0.00 174.94 175.33 1ekj s GLY 219 N 1.61 1.78 0.15 6.18 0.00 0.40 -4.14 107.32 113.29 1ekj s GLY 219 Ca 0.06 -1.91 -0.17 0.00 0.00 0.00 0.00 44.72 42.70 1ekj s GLY 219 CO 0.05 -1.48 0.46 -2.38 0.00 0.00 0.00 173.10 169.75 1ekj s HIS 220 N -2.75 -0.21 0.53 1.90 -3.43 -1.26 -1.71 115.29 108.35 1ekj s HIS 220 Ca 0.62 -0.09 -0.22 0.00 -0.80 0.00 0.00 55.06 54.56 1ekj s HIS 220 Cb -0.07 0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 31.36 1ekj s HIS 220 CO 0.39 -0.78 1.28 -1.54 -2.00 0.00 0.00 174.74 172.10 1ekj s SER 221 N -2.82 5.52 -0.21 7.38 1.04 0.22 -4.07 113.70 120.77 1ekj s SER 221 Ca 0.05 2.58 -0.14 0.00 0.48 0.00 0.00 55.95 58.92 1ekj s SER 221 Cb 0.01 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.53 1ekj s SER 221 CO -0.10 -1.38 0.26 0.00 0.98 0.00 0.00 173.24 173.00 1ekj n ALA 222 N -0.94 -2.32 -3.63 5.32 0.00 -1.26 -4.85 120.51 112.84 1ekj n ALA 222 Ca 0.10 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.43 1ekj n ALA 222 Cb 0.46 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1ekj n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ekj h GLY 224 N 8.06 0.24 0.76 0.00 0.00 -1.95 0.19 103.07 110.37 1ekj h GLY 224 Ca -0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1ekj h GLY 224 CO 0.59 0.13 -0.05 -1.33 0.00 0.00 0.00 176.54 175.89 1ekj h GLY 225 N 0.68 -0.13 0.98 4.60 0.00 -1.94 -0.67 103.07 106.59 1ekj h GLY 225 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1ekj h GLY 225 CO 0.02 -0.05 0.25 -2.22 0.00 0.00 0.00 176.54 174.54 1ekj h ILE 226 N -0.37 1.20 -0.90 2.60 1.08 -1.85 -1.26 117.51 118.00 1ekj h ILE 226 Ca -0.01 -0.56 0.11 0.00 -0.39 0.00 0.00 64.86 64.01 1ekj h ILE 226 Cb 0.31 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 1ekj h ILE 226 CO 0.02 0.22 0.58 0.50 -0.69 0.00 0.00 178.15 178.78 1ekj h LYS 227 N 0.70 0.81 -0.05 2.37 3.64 -0.50 0.24 116.57 123.78 1ekj h LYS 227 Ca 0.18 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 1ekj h LYS 227 Cb 0.12 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1ekj h LYS 227 CO -0.02 0.54 -0.70 0.78 -2.27 0.00 0.00 179.45 177.77 1ekj h GLY 228 N 0.83 0.30 0.76 5.01 0.00 -0.59 -0.81 103.07 108.57 1ekj h GLY 228 Ca 0.43 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1ekj h GLY 228 CO -0.20 0.37 0.35 -2.00 0.00 0.00 0.00 176.54 175.07 1ekj h LEU 229 N 0.18 0.54 -0.13 3.11 5.85 0.18 0.27 115.31 125.31 1ekj h LEU 229 Ca -0.02 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1ekj h LEU 229 Cb 1.25 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.20 1ekj h LEU 229 CO 0.11 0.36 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.90 1ekj h LEU 230 N 0.67 0.76 -0.66 2.25 3.38 -1.15 -3.31 115.31 117.25 1ekj h LEU 230 Ca 0.27 -0.63 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 1ekj h LEU 230 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ekj h LEU 230 CO -0.15 1.27 -0.58 0.77 0.09 0.00 0.00 178.44 179.84 1ekj h SER 231 N 0.30 0.32 -3.39 -0.43 4.64 -0.85 -3.44 113.55 110.70 1ekj h SER 231 Ca -0.04 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.58 1ekj h SER 231 Cb 1.25 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1ekj h SER 231 CO 0.13 0.83 0.56 -0.36 -0.87 0.00 0.00 176.83 177.12 1ekj s PHE 232 N -3.82 3.43 0.23 4.77 2.99 0.92 -4.96 117.98 121.54 1ekj s PHE 232 Ca -0.04 1.38 -0.02 0.00 0.00 0.00 0.00 56.93 58.24 1ekj s PHE 232 Cb 0.12 -3.43 0.25 0.00 0.00 0.00 0.00 43.02 39.96 1ekj s PHE 232 CO 0.80 -1.24 1.65 -1.00 -0.00 0.00 0.00 175.22 175.43 1ekj h PRO 233 N 5.72 0.67 -6.19 0.24 0.13 -1.88 -3.48 132.00 127.21 1ekj h PRO 233 Ca -0.44 -0.27 -0.44 0.00 -0.87 0.00 0.00 66.00 63.98 1ekj h PRO 233 Cb 1.21 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ekj h PRO 233 CO 0.77 0.86 -0.81 1.19 -0.23 0.00 0.00 178.00 179.78 1ekj n PHE 234 N -4.10 -2.05 -1.35 1.56 3.01 -1.26 -4.87 117.46 108.39 1ekj n PHE 234 Ca -0.00 0.86 -0.05 0.00 1.01 0.00 0.00 57.45 59.26 1ekj n PHE 234 Cb 0.44 -4.20 0.21 0.00 -0.01 0.00 0.00 39.48 35.91 1ekj n PHE 234 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ekj n ASP 235 N -2.97 2.90 0.00 4.37 5.75 -1.26 -4.89 116.55 120.45 1ekj n ASP 235 Ca -0.17 -3.64 0.00 0.00 -0.01 0.00 0.00 54.79 50.97 1ekj n ASP 235 Cb 0.62 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1ekj n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ekj n GLY 236 N -1.02 0.78 3.27 6.12 0.00 -1.26 -5.05 105.19 108.04 1ekj n GLY 236 Ca 0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1ekj n GLY 236 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ekj s THR 237 N -2.56 2.54 -0.04 2.61 -4.23 -1.26 -5.12 115.64 107.57 1ekj s THR 237 Ca 0.00 -0.83 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1ekj s THR 237 Cb 0.00 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 1ekj s THR 237 CO 0.00 0.53 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.10 1ekj s TYR 238 N 0.53 2.52 -0.95 3.99 1.51 -1.26 -4.56 117.35 119.13 1ekj s TYR 238 Ca -0.11 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.64 1ekj s TYR 238 Cb -0.16 -1.59 0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1ekj s TYR 238 CO 0.04 0.01 0.71 -1.13 -1.11 0.00 0.00 175.55 174.07 1ekj n SER 239 N 2.54 1.54 -4.49 2.29 3.41 -1.26 -5.01 113.62 112.64 1ekj n SER 239 Ca -0.17 -1.27 -0.24 0.00 -0.26 0.00 0.00 58.87 56.93 1ekj n SER 239 Cb 0.52 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 1ekj n SER 239 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ekj s THR 240 N -0.79 2.27 -0.09 6.66 -4.23 -1.26 -5.07 115.64 113.13 1ekj s THR 240 Ca 0.09 -2.29 -0.24 0.00 -1.18 0.00 0.00 61.69 58.07 1ekj s THR 240 Cb 0.07 -2.44 -0.29 0.00 1.34 0.00 0.00 72.50 71.18 1ekj s THR 240 CO 0.12 -0.32 0.81 0.44 -0.54 0.00 0.00 174.62 175.14 1ekj h ASP 241 N 2.19 0.29 0.00 3.99 5.19 -2.03 -3.45 116.42 122.60 1ekj h ASP 241 Ca -0.41 -0.95 0.00 0.00 -0.62 0.00 0.00 57.03 55.05 1ekj h ASP 241 Cb 1.25 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1ekj h ASP 241 CO 0.65 1.28 -0.33 0.49 -3.12 0.00 0.00 179.24 178.20 1ekj n PHE 242 N -4.29 0.00 -0.11 4.55 3.01 -1.26 -4.81 117.46 114.55 1ekj n PHE 242 Ca -0.14 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.25 1ekj n PHE 242 Cb 0.71 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.17 1ekj n PHE 242 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1ekj h ILE 243 N 0.00 0.25 -0.29 4.37 2.04 -1.99 0.14 117.51 122.03 1ekj h ILE 243 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1ekj h ILE 243 Cb 0.31 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1ekj h ILE 243 CO 0.00 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.87 1ekj h GLU 244 N -0.25 0.49 -0.64 2.37 5.08 -1.91 0.94 114.58 120.66 1ekj h GLU 244 Ca 0.17 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1ekj h GLU 244 Cb 0.53 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.61 1ekj h GLU 244 CO -0.52 0.59 -0.04 1.49 -1.00 0.00 0.00 179.01 179.53 1ekj h GLU 245 N 0.31 0.08 0.03 2.33 4.22 -1.67 -2.05 114.58 117.83 1ekj h GLU 245 Ca 0.09 -0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.26 1ekj h GLU 245 Cb 0.34 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ekj h GLU 245 CO 0.01 0.05 -1.07 2.35 -2.18 0.00 0.00 179.01 178.16 1ekj h TRP 246 N 0.08 0.91 0.00 0.92 2.91 -0.45 -3.28 115.95 117.04 1ekj h TRP 246 Ca 0.33 -0.52 0.00 0.00 1.13 0.00 0.00 58.89 59.83 1ekj h TRP 246 Cb 0.54 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 1ekj h TRP 246 CO -0.42 1.35 0.00 -0.39 -1.03 0.00 0.00 178.44 177.96 1ekj h VAL 247 N 0.32 0.00 -0.48 2.65 -1.51 -0.51 -3.14 116.25 113.57 1ekj h VAL 247 Ca -0.13 -0.42 0.14 0.00 -1.23 0.00 0.00 66.70 65.06 1ekj h VAL 247 Cb 1.73 1.29 -0.02 0.00 -2.13 0.00 0.00 31.29 32.16 1ekj h VAL 247 CO 0.20 0.00 0.38 0.07 -1.23 0.00 0.00 177.57 176.99 1ekj h LYS 248 N 0.00 0.00 -1.19 5.19 2.10 -1.44 -0.10 116.57 121.13 1ekj h LYS 248 Ca 0.00 0.00 0.34 0.00 -2.00 0.00 0.00 60.65 58.99 1ekj h LYS 248 Cb 0.55 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.80 1ekj h LYS 248 CO 0.00 0.00 0.81 0.82 -2.00 0.00 0.00 179.45 179.08 1ekj h ILE 249 N 0.00 0.38 -0.28 0.07 2.04 -1.77 0.37 117.51 118.32 1ekj h ILE 249 Ca 0.23 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1ekj h ILE 249 Cb 0.98 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1ekj h ILE 249 CO -0.00 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1ekj n GLY 250 N -1.61 0.57 0.25 5.37 0.00 -0.05 -4.43 105.19 105.29 1ekj n GLY 250 Ca 0.29 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 1ekj n GLY 250 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ekj h LEU 251 N 2.30 -0.64 -0.46 0.99 3.38 -0.41 -0.92 115.31 119.55 1ekj h LEU 251 Ca 0.00 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1ekj h LEU 251 Cb 0.51 0.39 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1ekj h LEU 251 CO 0.00 -0.22 -0.33 1.55 0.09 0.00 0.00 178.44 179.53 1ekj h PRO 252 N -0.05 -0.22 -1.00 1.13 0.13 -1.81 0.19 132.00 130.37 1ekj h PRO 252 Ca 0.26 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.57 1ekj h PRO 252 Cb 0.44 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.52 1ekj h PRO 252 CO -0.59 -0.14 0.62 0.00 -0.23 0.00 0.00 178.00 177.66 1ekj h ALA 253 N 0.82 1.65 -0.42 -0.56 0.00 -1.53 -1.02 119.26 118.20 1ekj h ALA 253 Ca 0.19 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1ekj h ALA 253 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ekj h ALA 253 CO -0.58 0.01 -0.05 -0.22 0.00 0.00 0.00 179.25 178.41 1ekj h LYS 254 N 0.82 0.78 0.54 0.00 3.64 0.23 -2.21 116.57 120.36 1ekj h LYS 254 Ca 0.55 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1ekj h LYS 254 Cb 0.80 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1ekj h LYS 254 CO -0.34 0.88 -0.39 0.00 -2.27 0.00 0.00 179.45 177.33 1ekj h ALA 255 N 0.87 -0.93 -0.07 5.00 0.00 0.44 -0.15 119.26 124.43 1ekj h ALA 255 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ekj h ALA 255 Cb 0.56 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1ekj h ALA 255 CO 0.03 -1.05 -0.22 -0.22 0.00 0.00 0.00 179.25 177.80 1ekj h LYS 256 N -0.90 -0.21 -0.55 0.00 3.64 -1.33 0.18 116.57 117.39 1ekj h LYS 256 Ca -0.06 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1ekj h LYS 256 Cb 0.75 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.52 1ekj h LYS 256 CO 0.02 -0.14 -0.08 -0.24 -2.27 0.00 0.00 179.45 176.75 1ekj h VAL 257 N -0.22 0.49 -0.78 2.00 3.04 -1.40 0.11 116.25 119.49 1ekj h VAL 257 Ca 0.01 -0.02 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1ekj h VAL 257 Cb 0.26 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 29.95 1ekj h VAL 257 CO -0.18 0.01 0.32 0.50 -1.01 0.00 0.00 177.57 177.21 1ekj h LYS 258 N 0.05 1.16 -0.23 4.17 3.64 -0.68 0.46 116.57 125.14 1ekj h LYS 258 Ca 0.28 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1ekj h LYS 258 Cb 0.43 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1ekj h LYS 258 CO -0.53 0.93 -0.52 0.00 -2.27 0.00 0.00 179.45 177.06 1ekj h ALA 259 N 1.21 0.37 0.43 5.00 0.00 0.01 -2.10 119.26 124.19 1ekj h ALA 259 Ca 0.26 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ekj h ALA 259 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ekj h ALA 259 CO -0.02 0.56 -0.21 0.37 0.00 0.00 0.00 179.25 179.95 1ekj h GLN 260 N 0.49 -0.56 -2.53 0.00 4.15 -0.57 -3.35 115.11 112.73 1ekj h GLN 260 Ca -0.00 0.04 -0.75 0.00 0.77 0.00 0.00 58.65 58.71 1ekj h GLN 260 Cb 1.13 0.13 -0.32 0.00 0.21 0.00 0.00 27.48 28.64 1ekj h GLN 260 CO 0.11 -0.37 0.48 0.72 -1.93 0.00 0.00 178.83 177.84 1ekj n HIS 261 N -4.83 2.82 0.19 3.99 8.25 0.16 -4.82 115.22 120.98 1ekj n HIS 261 Ca -0.07 -2.98 0.03 0.00 -0.26 0.00 0.00 57.72 54.43 1ekj n HIS 261 Cb 0.23 -1.04 0.37 0.00 1.12 0.00 0.00 29.99 30.67 1ekj n HIS 261 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ekj h GLY 262 N 4.58 0.00 -2.58 -1.41 0.00 -1.53 -3.03 103.07 99.10 1ekj h GLY 262 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ekj h GLY 262 CO 1.15 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.78 1ekj n ASP 263 N -4.10 4.83 -4.77 0.19 5.68 -1.26 -4.98 116.55 112.14 1ekj n ASP 263 Ca -0.02 -2.98 -0.40 0.00 -0.50 0.00 0.00 54.79 50.90 1ekj n ASP 263 Cb 0.39 -0.62 -0.06 0.00 -1.14 0.00 0.00 41.12 39.70 1ekj n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ekj s ALA 264 N -2.80 3.43 0.33 2.12 0.00 -1.15 -5.00 121.76 118.69 1ekj s ALA 264 Ca 0.49 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 1ekj s ALA 264 Cb 0.38 -2.98 -0.12 0.00 0.00 0.00 0.00 23.12 20.40 1ekj s ALA 264 CO 0.12 0.24 1.28 -0.35 0.00 0.00 0.00 175.76 177.06 1ekj n PRO 265 N 1.84 2.08 -0.30 0.00 -0.04 -1.26 -4.46 135.00 132.86 1ekj n PRO 265 Ca -0.05 0.73 0.11 0.00 -0.04 0.00 0.00 63.50 64.26 1ekj n PRO 265 Cb 0.49 -2.31 0.26 0.00 -0.04 0.00 0.00 33.50 31.90 1ekj n PRO 265 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1ekj h PHE 266 N 2.64 0.17 -0.08 0.54 3.57 -1.96 1.20 116.94 123.02 1ekj h PHE 266 Ca -0.46 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.14 1ekj h PHE 266 Cb 1.29 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 40.03 1ekj h PHE 266 CO 0.51 -0.27 -0.36 0.00 -2.23 0.00 0.00 178.31 175.96 1ekj h ALA 267 N 1.81 -0.49 0.36 2.41 0.00 -2.00 0.39 119.26 121.73 1ekj h ALA 267 Ca 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1ekj h ALA 267 Cb 1.05 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ekj h ALA 267 CO -0.72 -0.86 -0.17 1.49 0.00 0.00 0.00 179.25 178.99 1ekj h GLU 268 N -0.47 -0.46 -0.98 0.00 4.81 -1.14 -3.10 114.58 113.24 1ekj h GLU 268 Ca 0.08 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1ekj h GLU 268 Cb 0.59 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.95 1ekj h GLU 268 CO -0.34 -0.22 -0.56 -0.11 -0.73 0.00 0.00 179.01 177.04 1ekj n LEU 269 N -5.24 -1.01 -0.30 1.64 -0.00 0.39 -0.10 117.00 112.39 1ekj n LEU 269 Ca -0.10 1.75 0.11 0.00 -0.00 0.00 0.00 56.01 57.76 1ekj n LEU 269 Cb 0.24 -0.24 0.27 0.00 -0.00 0.00 0.00 43.42 43.70 1ekj n LEU 269 CO 0.34 -1.44 1.06 0.00 -0.00 0.00 0.00 177.39 177.35 1ekj h THR 271 N 0.46 0.95 0.01 0.00 2.02 -0.43 0.29 112.91 116.22 1ekj h THR 271 Ca 0.52 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.51 1ekj h THR 271 Cb 0.92 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1ekj h THR 271 CO -0.48 0.10 -0.01 0.45 0.37 0.00 0.00 175.52 175.96 1ekj h HIS 272 N 0.56 -0.02 0.00 3.16 -0.00 -0.37 -2.59 115.15 115.89 1ekj h HIS 272 Ca 0.25 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 1ekj h HIS 272 Cb 0.16 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1ekj h HIS 272 CO -0.10 0.05 -0.16 0.00 -0.00 0.00 0.00 177.93 177.72 1ekj h GLU 274 N 0.00 0.69 0.02 0.00 5.08 -0.17 -1.95 114.58 118.26 1ekj h GLU 274 Ca -0.00 -0.35 -0.17 0.00 -1.00 0.00 0.00 59.36 57.84 1ekj h GLU 274 Cb 0.30 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ekj h GLU 274 CO 0.02 0.96 -0.67 0.87 -1.00 0.00 0.00 179.01 179.19 1ekj h LYS 275 N 0.57 0.41 -0.11 2.33 1.57 -1.02 -3.24 116.57 117.08 1ekj h LYS 275 Ca 0.05 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1ekj h LYS 275 Cb 0.92 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1ekj h LYS 275 CO 0.08 1.14 0.07 1.49 -0.57 0.00 0.00 179.45 181.66 1ekj h GLU 276 N -0.11 0.15 -1.00 3.15 4.57 -1.01 -2.32 114.58 118.01 1ekj h GLU 276 Ca -0.09 -0.01 0.26 0.00 -1.18 0.00 0.00 59.36 58.33 1ekj h GLU 276 Cb 1.39 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.87 1ekj h GLU 276 CO 0.13 0.13 0.67 0.00 -1.18 0.00 0.00 179.01 178.76 1ekj h ALA 277 N 1.01 2.38 -0.78 2.92 0.00 -1.45 0.48 119.26 123.81 1ekj h ALA 277 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ekj h ALA 277 Cb 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ekj h ALA 277 CO -0.01 -0.73 0.32 0.28 0.00 0.00 0.00 179.25 179.11 1ekj h VAL 278 N 0.32 1.26 -0.49 0.00 2.07 -1.44 0.59 116.25 118.56 1ekj h VAL 278 Ca 0.54 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1ekj h VAL 278 Cb 1.51 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1ekj h VAL 278 CO -0.20 0.33 -0.21 0.78 0.02 0.00 0.00 177.57 178.29 1ekj h ASN 279 N 1.14 1.03 -0.26 0.57 2.35 -0.08 0.24 115.58 120.57 1ekj h ASN 279 Ca 0.26 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1ekj h ASN 279 Cb 0.21 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1ekj h ASN 279 CO -0.02 1.19 0.10 0.00 -1.65 0.00 0.00 177.43 177.05 1ekj h ALA 280 N 0.87 0.29 -0.76 -0.83 0.00 -0.56 0.82 119.26 119.10 1ekj h ALA 280 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ekj h ALA 280 Cb 0.79 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1ekj h ALA 280 CO 0.07 -0.31 0.48 0.77 0.00 0.00 0.00 179.25 180.26 1ekj h SER 281 N 0.23 0.89 -0.71 0.00 0.02 -0.53 0.13 113.55 113.59 1ekj h SER 281 Ca 0.11 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1ekj h SER 281 Cb 0.06 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1ekj h SER 281 CO -0.10 0.67 0.47 -0.07 -1.14 0.00 0.00 176.83 176.66 1ekj h LEU 282 N 1.04 0.81 -0.86 5.07 3.38 0.40 -0.63 115.31 124.51 1ekj h LEU 282 Ca 0.28 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.27 1ekj h LEU 282 Cb -0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 1ekj h LEU 282 CO -0.06 0.58 0.55 1.23 0.09 0.00 0.00 178.44 180.84 1ekj h GLY 283 N 0.95 1.27 2.00 0.83 0.00 0.24 -2.02 103.07 106.35 1ekj h GLY 283 Ca 0.26 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1ekj h GLY 283 CO -0.06 0.33 -0.19 3.43 0.00 0.00 0.00 176.54 180.04 1ekj h ASN 284 N 1.04 0.00 0.24 0.19 2.35 0.45 -2.47 115.58 117.38 1ekj h ASN 284 Ca 0.36 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.06 1ekj h ASN 284 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1ekj h ASN 284 CO -0.14 0.19 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.53 1ekj h LEU 285 N 0.00 0.00 0.00 1.61 3.38 -0.39 -2.18 115.31 117.73 1ekj h LEU 285 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ekj h LEU 285 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ekj h LEU 285 CO 0.02 0.23 0.00 0.18 0.09 0.00 0.00 178.44 178.96 1ekj n LEU 286 N -4.25 0.00 -0.13 1.67 4.77 -0.93 -2.27 117.00 115.87 1ekj n LEU 286 Ca -0.02 0.33 0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1ekj n LEU 286 Cb 0.29 -0.33 0.59 0.00 -2.33 0.00 0.00 43.42 41.64 1ekj n LEU 286 CO 0.37 -0.11 0.85 0.35 -1.33 0.00 0.00 177.39 177.52 1ekj n THR 287 N -1.33 0.00 -3.57 -5.08 -2.24 -0.82 -4.69 114.28 96.55 1ekj n THR 287 Ca 0.08 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 1ekj n THR 287 Cb 0.17 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.23 1ekj n THR 287 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ekj s TYR 288 N -2.48 3.22 0.17 4.78 1.51 -0.96 -4.55 117.35 119.04 1ekj s TYR 288 Ca 0.28 -0.04 -0.18 0.00 -1.01 0.00 0.00 57.07 56.12 1ekj s TYR 288 Cb 0.20 -2.42 0.10 0.00 -0.11 0.00 0.00 41.96 39.73 1ekj s TYR 288 CO 0.48 -0.25 1.66 -1.35 -1.11 0.00 0.00 175.55 174.97 1ekj h PRO 289 N 8.42 -0.05 0.00 -1.71 0.11 -1.87 -1.44 132.00 135.45 1ekj h PRO 289 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1ekj h PRO 289 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ekj h PRO 289 CO 0.59 -0.03 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 1ekj h PHE 290 N -0.05 0.00 0.00 0.65 -5.15 -1.95 0.26 116.94 110.71 1ekj h PHE 290 Ca 0.19 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.95 1ekj h PHE 290 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.52 1ekj h PHE 290 CO -0.38 0.00 -0.04 0.28 -2.00 0.00 0.00 178.31 176.17 1ekj h VAL 291 N 0.00 1.72 -0.41 0.88 2.07 -1.57 -2.63 116.25 116.30 1ekj h VAL 291 Ca 0.00 -2.16 0.06 0.00 0.82 0.00 0.00 66.70 65.42 1ekj h VAL 291 Cb 0.18 3.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 1ekj h VAL 291 CO 0.00 0.56 0.09 0.03 0.02 0.00 0.00 177.57 178.27 1ekj h ARG 292 N -0.88 0.22 -0.65 1.57 3.08 -0.59 -0.57 114.38 116.57 1ekj h ARG 292 Ca -0.01 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ekj h ARG 292 Cb 0.95 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 1ekj h ARG 292 CO 0.01 0.14 0.43 1.49 -1.07 0.00 0.00 179.97 180.97 1ekj h GLU 293 N 0.22 0.82 -0.32 0.04 4.81 -0.62 -0.61 114.58 118.92 1ekj h GLU 293 Ca 0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1ekj h GLU 293 Cb 0.23 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1ekj h GLU 293 CO -0.25 0.54 0.17 0.78 -0.73 0.00 0.00 179.01 179.53 1ekj h GLY 294 N 0.85 0.49 1.61 1.92 0.00 -0.75 -1.03 103.07 106.15 1ekj h GLY 294 Ca 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1ekj h GLY 294 CO -0.06 0.22 -0.05 1.41 0.00 0.00 0.00 176.54 178.06 1ekj h LEU 295 N 0.40 0.46 -0.43 3.11 3.38 -0.56 0.17 115.31 121.83 1ekj h LEU 295 Ca 0.11 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1ekj h LEU 295 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ekj h LEU 295 CO -0.02 0.57 -0.25 0.58 0.09 0.00 0.00 178.44 179.41 1ekj h VAL 296 N 0.46 1.27 -0.01 1.22 2.07 -0.68 -2.81 116.25 117.79 1ekj h VAL 296 Ca 0.10 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1ekj h VAL 296 Cb 0.38 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1ekj h VAL 296 CO 0.02 0.48 -0.06 0.59 0.02 0.00 0.00 177.57 178.61 1ekj n ASN 297 N -4.15 0.82 -1.90 0.57 3.02 -0.43 -4.92 115.26 108.27 1ekj n ASN 297 Ca -0.01 -1.04 -0.20 0.00 -0.03 0.00 0.00 54.58 53.30 1ekj n ASN 297 Cb 0.47 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.58 1ekj n ASN 297 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ekj n LYS 298 N -0.52 -1.49 -0.02 3.52 5.02 -0.05 -4.82 118.16 119.79 1ekj n LYS 298 Ca 0.18 1.09 0.13 0.00 -2.02 0.00 0.00 58.31 57.68 1ekj n LYS 298 Cb 0.28 -5.57 0.33 0.00 -0.02 0.00 0.00 35.03 30.05 1ekj n LYS 298 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ekj n THR 299 N -3.21 0.06 -3.92 -0.18 -2.24 -0.61 -4.89 114.28 99.29 1ekj n THR 299 Ca -0.22 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.07 1ekj n THR 299 Cb 0.67 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.69 1ekj n THR 299 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ekj s LEU 300 N -1.92 1.94 0.02 3.22 2.96 -1.08 -4.33 118.68 119.49 1ekj s LEU 300 Ca 0.34 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1ekj s LEU 300 Cb 0.20 0.29 -0.01 0.00 0.50 0.00 0.00 46.19 47.17 1ekj s LEU 300 CO 0.31 -0.26 -0.05 0.00 -1.32 0.00 0.00 176.35 175.03 1ekj s ALA 301 N -1.10 0.38 -0.08 5.97 0.00 -0.46 -4.25 121.76 122.22 1ekj s ALA 301 Ca -0.12 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1ekj s ALA 301 Cb -0.07 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1ekj s ALA 301 CO -0.00 -0.00 -0.17 -0.51 0.00 0.00 0.00 175.76 175.08 1ekj s LEU 302 N -0.90 2.56 0.07 0.00 1.02 -1.26 -1.23 118.68 118.93 1ekj s LEU 302 Ca -0.06 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1ekj s LEU 302 Cb -0.06 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1ekj s LEU 302 CO -0.00 0.25 -0.05 -0.54 0.02 0.00 0.00 176.35 176.03 1ekj s LYS 303 N -0.18 0.70 0.00 1.70 1.02 0.13 -1.65 119.74 121.45 1ekj s LYS 303 Ca -0.01 -1.19 0.06 0.00 0.02 0.00 0.00 55.97 54.85 1ekj s LYS 303 Cb -0.13 -0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 1ekj s LYS 303 CO 0.03 -0.04 -0.19 0.20 -0.92 0.00 0.00 175.35 174.43 1ekj s GLY 304 N -2.76 0.97 0.09 -3.33 0.00 0.31 -1.86 107.32 100.75 1ekj s GLY 304 Ca 0.06 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.93 1ekj s GLY 304 CO -0.06 -0.76 -0.09 -0.32 0.00 0.00 0.00 173.10 171.87 1ekj s GLY 305 N -0.66 0.80 -0.13 0.20 0.00 -0.43 -0.50 107.32 106.60 1ekj s GLY 305 Ca 0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 1ekj s GLY 305 CO -0.00 -1.27 0.08 -0.47 0.00 0.00 0.00 173.10 171.44 1ekj s TYR 306 N -2.65 0.15 -0.26 1.90 5.04 0.18 -0.45 117.35 121.26 1ekj s TYR 306 Ca 0.06 -0.12 -0.11 0.00 -2.44 0.00 0.00 57.07 54.46 1ekj s TYR 306 Cb -0.01 -0.62 -0.05 0.00 0.35 0.00 0.00 41.96 41.62 1ekj s TYR 306 CO -0.01 -0.40 0.18 -0.47 -1.34 0.00 0.00 175.55 173.51 1ekj s TYR 307 N 2.15 3.27 -0.64 4.97 5.04 -0.69 -1.32 117.35 130.12 1ekj s TYR 307 Ca 0.03 0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.81 1ekj s TYR 307 Cb -0.15 -2.33 0.17 0.00 0.35 0.00 0.00 41.96 40.00 1ekj s TYR 307 CO -0.07 -0.04 0.47 0.34 -1.34 0.00 0.00 175.55 174.91 1ekj s ASP 308 N 1.39 5.39 0.00 4.32 -1.08 0.76 0.71 116.67 128.15 1ekj s ASP 308 Ca 0.08 -2.82 0.11 0.00 -0.52 0.00 0.00 52.55 49.40 1ekj s ASP 308 Cb -0.15 -1.89 0.51 0.00 -1.46 0.00 0.00 42.92 39.94 1ekj s ASP 308 CO 0.08 -0.39 1.34 2.22 0.52 0.00 0.00 175.17 178.93 1ekj n PHE 309 N 3.56 0.00 -0.05 -5.34 1.16 -1.26 0.11 117.46 115.64 1ekj n PHE 309 Ca 0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 1ekj n PHE 309 Cb 0.39 -0.44 -0.12 0.00 -1.61 0.00 0.00 39.48 37.70 1ekj n PHE 309 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1ekj h VAL 310 N 0.00 1.61 -0.02 1.97 2.07 -1.95 -3.28 116.25 116.66 1ekj h VAL 310 Ca 0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1ekj h VAL 310 Cb 0.17 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1ekj h VAL 310 CO 0.00 0.49 -0.21 0.29 0.02 0.00 0.00 177.57 178.16 1ekj n LYS 311 N -4.70 1.65 -3.41 1.57 4.01 -1.12 -4.97 118.16 111.18 1ekj n LYS 311 Ca -0.09 -1.29 -0.18 0.00 -0.51 0.00 0.00 58.31 56.24 1ekj n LYS 311 Cb 0.39 -1.47 0.07 0.00 -0.51 0.00 0.00 35.03 33.51 1ekj n LYS 311 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ekj n GLY 312 N 1.36 -0.67 3.28 0.72 0.00 0.30 -5.02 105.19 105.16 1ekj n GLY 312 Ca 0.13 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 1ekj n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ekj s SER 313 N -3.97 2.27 -0.04 1.61 1.04 -0.34 -4.97 113.70 109.30 1ekj s SER 313 Ca 0.19 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.76 1ekj s SER 313 Cb -0.03 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1ekj s SER 313 CO 0.75 -0.13 -0.03 0.12 0.98 0.00 0.00 173.24 174.94 1ekj s PHE 314 N -2.29 0.57 -0.13 5.02 5.36 -1.26 -0.17 117.98 125.08 1ekj s PHE 314 Ca 0.13 -0.12 -0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1ekj s PHE 314 Cb -0.04 -0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1ekj s PHE 314 CO 0.04 -0.16 -0.12 -1.21 -1.46 0.00 0.00 175.22 172.32 1ekj s GLU 315 N 0.88 3.38 -0.10 10.12 2.02 -0.44 -4.95 118.70 129.62 1ekj s GLU 315 Ca -0.11 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.24 1ekj s GLU 315 Cb -0.14 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.45 1ekj s GLU 315 CO -0.00 0.24 -0.16 -1.17 0.02 0.00 0.00 175.26 174.18 1ekj s LEU 316 N 0.30 1.77 0.27 1.80 2.96 -1.26 -0.64 118.68 123.87 1ekj s LEU 316 Ca -0.09 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1ekj s LEU 316 Cb -0.15 -1.08 -0.06 0.00 0.50 0.00 0.00 46.19 45.40 1ekj s LEU 316 CO 0.05 0.05 0.04 -1.66 -1.32 0.00 0.00 176.35 173.51 1ekj s TRP 317 N 0.79 1.71 0.35 5.38 -2.14 0.34 -5.00 118.94 120.36 1ekj s TRP 317 Ca -0.11 -0.99 0.03 0.00 2.66 0.00 0.00 56.10 57.69 1ekj s TRP 317 Cb -0.16 -1.04 -0.01 0.00 -3.10 0.00 0.00 33.47 29.16 1ekj s TRP 317 CO 0.02 -0.08 0.39 0.20 -2.66 0.00 0.00 176.95 174.82 1ekj s GLY 318 N -3.37 1.94 -0.31 3.67 0.00 -1.26 -0.53 107.32 107.46 1ekj s GLY 318 Ca 0.33 -1.81 -0.10 0.00 0.00 0.00 0.00 44.72 43.15 1ekj s GLY 318 CO 0.12 -1.23 0.16 -2.27 0.00 0.00 0.00 173.10 169.88 1ekj s LEU 319 N -3.32 4.11 -0.11 0.66 2.96 -0.66 -4.94 118.68 117.39 1ekj s LEU 319 Ca 0.35 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.50 1ekj s LEU 319 Cb 0.01 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1ekj s LEU 319 CO 0.25 -0.18 1.20 -1.61 -1.32 0.00 0.00 176.35 174.69 1ekj s GLU 320 N 1.63 4.31 -0.20 1.98 0.41 -1.26 -4.75 118.70 120.82 1ekj s GLU 320 Ca 0.05 1.63 -0.06 0.00 -0.41 0.00 0.00 54.97 56.18 1ekj s GLU 320 Cb -0.17 -3.64 0.10 0.00 -1.78 0.00 0.00 34.13 28.64 1ekj s GLU 320 CO 0.07 -0.55 0.40 0.12 -0.49 0.00 0.00 175.26 174.81 1ekj s PHE 321 N 2.74 -0.78 0.00 1.61 5.36 -1.26 -5.14 117.98 120.51 1ekj s PHE 321 Ca 0.54 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 1ekj s PHE 321 Cb -0.23 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.68 1ekj s PHE 321 CO 0.18 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.83 1ekj n GLY 322 N 5.38 2.50 3.88 13.12 0.00 -1.26 -5.01 105.19 123.81 1ekj n GLY 322 Ca -0.07 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1ekj n GLY 322 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ekj s LEU 323 N 0.00 3.87 -0.12 0.99 1.43 -1.26 -5.09 118.68 118.51 1ekj s LEU 323 Ca 0.00 1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 54.09 1ekj s LEU 323 Cb 0.00 -3.92 0.05 0.00 0.03 0.00 0.00 46.19 42.35 1ekj s LEU 323 CO 0.00 -0.36 0.27 -0.94 0.23 0.00 0.00 176.35 175.55 1ekj s SER 324 N -3.16 -0.29 0.37 2.29 1.04 -1.26 -5.13 113.70 107.56 1ekj s SER 324 Ca 0.50 0.58 -0.28 0.00 0.48 0.00 0.00 55.95 57.23 1ekj s SER 324 Cb -0.10 0.47 -0.11 0.00 0.10 0.00 0.00 66.02 66.37 1ekj s SER 324 CO 0.31 -0.17 1.36 -0.24 0.98 0.00 0.00 173.24 175.48 1ekj n SER 325 N 4.26 3.11 -0.08 7.02 2.88 -1.26 -4.91 113.62 124.64 1ekj n SER 325 Ca -0.25 1.20 -0.16 0.00 -1.33 0.00 0.00 58.87 58.33 1ekj n SER 325 Cb 0.53 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 1ekj n SER 325 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ekj n THR 326 N 0.29 0.89 -3.61 2.46 -1.04 -1.26 -5.10 114.28 106.91 1ekj n THR 326 Ca 0.04 -0.24 -0.05 0.00 -2.04 0.00 0.00 64.05 61.76 1ekj n THR 326 Cb 0.38 -1.63 -0.02 0.00 -1.82 0.00 0.00 70.33 67.24 1ekj n THR 326 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1ekj s PHE 327 N -2.30 -0.21 -0.10 -1.42 -0.12 -1.26 -5.16 117.98 107.42 1ekj s PHE 327 Ca -0.22 0.03 -0.04 0.00 -0.05 0.00 0.00 56.93 56.64 1ekj s PHE 327 Cb 0.08 0.57 0.05 0.00 -0.63 0.00 0.00 43.02 43.09 1ekj s PHE 327 CO 0.29 -0.55 0.21 0.45 -0.05 0.00 0.00 175.22 175.57 1ekj s SER 328 N -2.65 0.06 0.00 1.98 0.15 -1.26 -5.27 113.70 106.71 1ekj s SER 328 Ca 0.09 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1ekj s SER 328 Cb -0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1ekj s SER 328 CO -0.04 -0.19 0.00 0.52 1.20 0.00 0.00 173.24 174.73