#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wxp h LYS 110 N 0.00 0.81 -0.36 5.55 1.63 -2.05 0.10 116.57 122.25 2wxp h LYS 110 Ca 0.00 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2wxp h LYS 110 Cb 0.00 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 2wxp h LYS 110 CO 0.00 0.53 0.19 -0.22 -3.45 0.00 0.00 179.45 176.51 2wxp h LYS 111 N 0.83 0.39 -0.30 1.90 1.63 -2.06 -2.41 116.57 116.55 2wxp h LYS 111 Ca 0.50 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.29 2wxp h LYS 111 Cb 0.67 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2wxp h LYS 111 CO -0.27 0.26 0.15 1.25 -3.45 0.00 0.00 179.45 177.39 2wxp h LEU 112 N 0.40 0.23 0.20 5.20 5.85 -1.34 -2.07 115.31 123.77 2wxp h LEU 112 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wxp h LEU 112 Cb 0.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2wxp h LEU 112 CO -0.09 0.17 -0.19 0.40 -0.34 0.00 0.00 178.44 178.39 2wxp h ILE 113 N 0.32 0.58 -0.73 4.05 2.04 -0.98 -0.78 117.51 122.01 2wxp h ILE 113 Ca 0.12 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.13 2wxp h ILE 113 Cb 0.03 0.58 -0.14 0.00 -0.74 0.00 0.00 36.82 36.56 2wxp h ILE 113 CO -0.08 0.00 -0.16 0.78 0.00 0.00 0.00 178.15 178.68 2wxp h ASN 114 N -0.42 -0.65 -0.51 1.72 2.35 -1.31 0.17 115.58 116.93 2wxp h ASN 114 Ca -0.00 0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2wxp h ASN 114 Cb 0.39 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 2wxp h ASN 114 CO -0.04 -0.24 -0.07 0.77 -1.65 0.00 0.00 177.43 176.21 2wxp h SER 115 N 0.01 0.97 -0.67 5.81 4.64 -0.87 -1.93 113.55 121.51 2wxp h SER 115 Ca 0.35 -0.29 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2wxp h SER 115 Cb 0.55 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 2wxp h SER 115 CO -0.74 1.06 0.09 1.56 -0.87 0.00 0.00 176.83 177.92 2wxp h GLN 116 N 0.88 1.12 -0.80 4.77 4.20 0.25 -1.40 115.11 124.13 2wxp h GLN 116 Ca 0.15 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.56 2wxp h GLN 116 Cb 0.61 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 2wxp h GLN 116 CO 0.04 1.03 0.53 0.82 -0.67 0.00 0.00 178.83 180.58 2wxp h ILE 117 N 1.04 1.20 -0.54 2.54 2.04 -0.65 -0.06 117.51 123.08 2wxp h ILE 117 Ca 0.20 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2wxp h ILE 117 Cb 0.47 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2wxp h ILE 117 CO 0.02 0.20 0.17 0.28 0.00 0.00 0.00 178.15 178.81 2wxp h SER 118 N 1.08 0.79 -0.53 1.72 0.02 -1.00 -0.61 113.55 115.02 2wxp h SER 118 Ca 0.29 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2wxp h SER 118 Cb -0.12 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 2wxp h SER 118 CO -0.07 0.79 0.15 0.25 -1.14 0.00 0.00 176.83 176.81 2wxp h LEU 119 N 0.75 0.78 -0.42 5.07 5.85 -1.14 -2.67 115.31 123.53 2wxp h LEU 119 Ca 0.18 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2wxp h LEU 119 Cb 0.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2wxp h LEU 119 CO -0.01 0.79 0.04 0.25 -0.34 0.00 0.00 178.44 179.17 2wxp h LEU 120 N 0.73 0.70 -0.14 2.25 5.85 -0.44 -3.11 115.31 121.14 2wxp h LEU 120 Ca 0.17 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2wxp h LEU 120 Cb 0.30 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2wxp h LEU 120 CO -0.00 0.81 -0.14 2.30 -0.34 0.00 0.00 178.44 181.06 2wxp n ILE 121 N -4.46 0.00 -2.09 4.05 -5.35 -0.29 -4.93 119.36 106.29 2wxp n ILE 121 Ca -0.00 -0.04 -0.11 0.00 -0.27 0.00 0.00 62.75 62.33 2wxp n ILE 121 Cb 0.27 -0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.01 2wxp n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wxp n GLY 122 N 1.36 0.09 3.44 3.28 0.00 -1.06 -4.95 105.19 107.34 2wxp n GLY 122 Ca 0.11 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 2wxp n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wxp s LYS 123 N -4.33 0.58 0.11 1.61 2.20 -1.03 -5.05 119.74 113.82 2wxp s LYS 123 Ca 0.00 0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 56.18 2wxp s LYS 123 Cb 0.00 0.16 -0.07 0.00 -1.51 0.00 0.00 37.83 36.42 2wxp s LYS 123 CO 0.00 -0.12 1.26 0.20 -0.36 0.00 0.00 175.35 176.33 2wxp s GLY 124 N 0.95 2.34 0.55 5.54 0.00 -1.26 -4.36 107.32 111.07 2wxp s GLY 124 Ca -0.05 0.96 0.21 0.00 0.00 0.00 0.00 44.72 45.84 2wxp s GLY 124 CO -0.08 2.09 2.19 1.41 0.00 0.00 0.00 173.10 178.71 2wxp h LEU 125 N 6.42 0.00 -1.58 0.66 3.38 -1.90 -1.17 115.31 121.11 2wxp h LEU 125 Ca -0.42 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2wxp h LEU 125 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2wxp h LEU 125 CO 0.81 0.00 0.12 1.12 0.09 0.00 0.00 178.44 180.58 2wxp h HIS 126 N 0.00 0.39 0.00 1.13 2.07 -1.98 -1.50 115.15 115.25 2wxp h HIS 126 Ca 0.00 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2wxp h HIS 126 Cb 0.00 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 29.86 2wxp h HIS 126 CO 0.00 0.31 -0.04 0.93 -3.07 0.00 0.00 177.93 176.06 2wxp h GLU 127 N 0.40 0.00 -0.25 5.12 5.08 -1.60 -0.25 114.58 123.08 2wxp h GLU 127 Ca 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2wxp h GLU 127 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2wxp h GLU 127 CO -0.01 0.04 -0.36 0.74 -1.00 0.00 0.00 179.01 178.42 2wxp h PHE 128 N 0.00 0.84 -0.26 4.33 0.04 -1.41 -3.29 116.94 117.19 2wxp h PHE 128 Ca -0.00 -0.28 0.01 0.00 2.80 0.00 0.00 57.97 60.50 2wxp h PHE 128 Cb 0.07 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2wxp h PHE 128 CO 0.00 1.04 0.15 -0.44 -0.60 0.00 0.00 178.31 178.45 2wxp h ASP 129 N 0.40 0.23 -0.37 2.17 3.32 -1.22 -2.96 116.42 118.00 2wxp h ASP 129 Ca 0.03 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.19 2wxp h ASP 129 Cb 0.94 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 2wxp h ASP 129 CO 0.08 0.17 0.47 0.28 -1.72 0.00 0.00 179.24 178.53 2wxp h SER 130 N 0.30 0.00 1.13 6.45 0.02 -1.16 -0.38 113.55 119.92 2wxp h SER 130 Ca 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2wxp h SER 130 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2wxp h SER 130 CO -0.06 0.00 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.34 2wxp h LEU 131 N 0.00 0.00 -1.29 5.07 3.38 -1.61 -3.47 115.31 117.39 2wxp h LEU 131 Ca 0.17 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.64 2wxp h LEU 131 Cb 1.12 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 2wxp h LEU 131 CO -0.00 0.22 -0.82 0.54 0.09 0.00 0.00 178.44 178.47 2wxp n ARG 132 N -3.30 -4.05 -3.63 1.13 5.12 -0.15 -4.93 116.66 106.85 2wxp n ARG 132 Ca 0.01 0.47 -0.38 0.00 -1.93 0.00 0.00 57.85 56.01 2wxp n ARG 132 Cb 0.47 -5.10 -0.11 0.00 -1.16 0.00 0.00 32.46 26.56 2wxp n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wxp s ASP 133 N -3.61 5.72 0.24 0.55 2.15 -1.26 -5.00 116.67 115.45 2wxp s ASP 133 Ca 0.50 -0.32 -0.06 0.00 0.43 0.00 0.00 52.55 53.10 2wxp s ASP 133 Cb -0.27 -2.05 0.42 0.00 -0.30 0.00 0.00 42.92 40.72 2wxp s ASP 133 CO 0.88 -0.14 1.70 -0.65 -0.17 0.00 0.00 175.17 176.79 2wxp h PRO 134 N 8.37 0.29 -0.49 4.34 0.11 -1.99 -0.25 132.00 142.38 2wxp h PRO 134 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2wxp h PRO 134 Cb 1.16 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2wxp h PRO 134 CO 0.60 0.19 0.25 1.49 -0.21 0.00 0.00 178.00 180.32 2wxp h GLU 135 N 0.30 0.70 -0.17 1.05 4.81 -1.99 0.18 114.58 119.47 2wxp h GLU 135 Ca 0.39 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2wxp h GLU 135 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2wxp h GLU 135 CO -0.46 0.57 0.08 0.28 -0.73 0.00 0.00 179.01 178.75 2wxp h VAL 136 N 0.65 1.13 -0.22 0.32 2.07 -1.90 -0.05 116.25 118.25 2wxp h VAL 136 Ca 0.17 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2wxp h VAL 136 Cb 0.09 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2wxp h VAL 136 CO -0.02 0.12 -0.19 0.78 0.02 0.00 0.00 177.57 178.27 2wxp h ASN 137 N 0.15 -0.61 0.09 0.57 4.21 -0.67 0.76 115.58 120.07 2wxp h ASN 137 Ca 0.06 0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.68 2wxp h ASN 137 Cb 0.11 0.30 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2wxp h ASN 137 CO -0.01 -0.23 -0.04 0.44 -1.29 0.00 0.00 177.43 176.30 2wxp h ASP 138 N -0.19 -0.10 -0.45 5.81 3.32 -0.52 -2.04 116.42 122.25 2wxp h ASP 138 Ca 0.13 -0.13 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2wxp h ASP 138 Cb 0.39 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.88 2wxp h ASP 138 CO -0.34 0.07 -0.10 0.15 -1.72 0.00 0.00 179.24 177.30 2wxp h PHE 139 N -0.27 -0.21 -0.84 4.55 3.57 -0.84 -0.72 116.94 122.18 2wxp h PHE 139 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2wxp h PHE 139 Cb 0.22 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2wxp h PHE 139 CO -0.02 -0.18 0.47 0.00 -2.23 0.00 0.00 178.31 176.34 2wxp h ARG 140 N 0.01 1.16 0.18 1.11 3.08 -0.55 -0.35 114.38 119.02 2wxp h ARG 140 Ca 0.22 -0.13 -0.28 0.00 0.07 0.00 0.00 59.98 59.87 2wxp h ARG 140 Cb 0.33 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 30.17 2wxp h ARG 140 CO -0.46 0.84 -1.28 1.79 -1.07 0.00 0.00 179.97 179.80 2wxp h THR 141 N 1.17 1.27 0.13 2.04 1.35 -0.80 -2.36 112.91 115.70 2wxp h THR 141 Ca 0.30 -2.56 0.01 0.00 -0.55 0.00 0.00 66.41 63.61 2wxp h THR 141 Cb 0.01 3.00 -0.03 0.00 -1.73 0.00 0.00 68.15 69.41 2wxp h THR 141 CO -0.05 0.77 -0.22 0.50 -0.25 0.00 0.00 175.52 176.26 2wxp h LYS 142 N -0.12 -0.41 -0.20 4.72 1.63 -1.13 -2.33 116.57 118.73 2wxp h LYS 142 Ca -0.24 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.46 2wxp h LYS 142 Cb 1.91 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.62 2wxp h LYS 142 CO 0.18 -0.27 -0.44 0.52 -3.45 0.00 0.00 179.45 175.99 2wxp h MET 143 N -0.42 0.49 -0.35 1.90 2.86 -1.15 -1.51 114.93 116.74 2wxp h MET 143 Ca 0.02 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2wxp h MET 143 Cb 0.44 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 2wxp h MET 143 CO -0.12 0.83 0.10 -0.09 1.06 0.00 0.00 176.91 178.70 2wxp h ARG 144 N 0.40 0.24 -0.12 1.72 2.43 -1.40 -1.07 114.38 116.57 2wxp h ARG 144 Ca 0.03 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2wxp h ARG 144 Cb 0.93 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2wxp h ARG 144 CO 0.08 0.16 -0.01 0.37 -1.51 0.00 0.00 179.97 179.05 2wxp h GLN 145 N 0.24 0.02 -0.45 0.20 4.15 -0.94 -0.73 115.11 117.60 2wxp h GLN 145 Ca 0.16 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2wxp h GLN 145 Cb 0.15 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2wxp h GLN 145 CO -0.18 0.01 0.30 0.35 -1.93 0.00 0.00 178.83 177.38 2wxp h PHE 146 N 0.02 0.57 0.22 3.99 3.57 -1.14 -2.28 116.94 121.90 2wxp h PHE 146 Ca 0.06 0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.28 2wxp h PHE 146 Cb 0.08 -0.19 0.03 0.00 2.79 0.00 0.00 35.95 38.66 2wxp h PHE 146 CO -0.15 0.36 -1.29 0.00 -2.23 0.00 0.00 178.31 175.00 2wxp h GLU 148 N -0.01 0.69 -0.26 0.00 5.08 -1.05 -1.52 114.58 117.50 2wxp h GLU 148 Ca -0.23 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 2wxp h GLU 148 Cb 2.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 2wxp h GLU 148 CO 0.24 0.45 -0.48 0.93 -1.00 0.00 0.00 179.01 179.16 2wxp h GLU 149 N 0.71 0.71 -0.43 2.33 5.08 -1.45 -1.42 114.58 120.11 2wxp h GLU 149 Ca 0.31 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2wxp h GLU 149 Cb 0.29 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2wxp h GLU 149 CO -0.10 1.03 0.15 0.00 -1.00 0.00 0.00 179.01 179.09 2wxp h ALA 150 N 0.91 1.47 -0.05 3.43 0.00 -1.34 -1.36 119.26 122.33 2wxp h ALA 150 Ca 0.03 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2wxp h ALA 150 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wxp h ALA 150 CO 0.10 0.40 -0.71 0.00 0.00 0.00 0.00 179.25 179.04 2wxp h ALA 151 N 1.57 0.71 -0.36 0.00 0.00 -1.03 -2.38 119.26 117.76 2wxp h ALA 151 Ca 0.15 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2wxp h ALA 151 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2wxp h ALA 151 CO -0.01 0.80 0.13 0.00 0.00 0.00 0.00 179.25 180.17 2wxp h ALA 152 N 1.09 0.47 -0.87 0.00 0.00 -0.80 -2.87 119.26 116.29 2wxp h ALA 152 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2wxp h ALA 152 Cb 1.27 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2wxp h ALA 152 CO 0.11 0.09 0.54 1.25 0.00 0.00 0.00 179.25 181.25 2wxp h HIS 153 N 0.44 1.00 -0.13 0.00 6.17 -1.14 -2.73 115.15 118.77 2wxp h HIS 153 Ca 0.12 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.15 2wxp h HIS 153 Cb 0.21 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 2wxp h HIS 153 CO 0.00 0.51 -0.26 -0.09 0.71 0.00 0.00 177.93 178.80 2wxp h ARG 154 N 0.99 0.24 0.00 5.26 2.43 -1.23 -2.78 114.38 119.29 2wxp h ARG 154 Ca 0.38 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2wxp h ARG 154 Cb 0.18 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2wxp h ARG 154 CO -0.18 0.50 0.00 1.04 -1.51 0.00 0.00 179.97 179.82 2wxp n GLN 155 N -4.15 0.09 -0.02 0.20 1.13 -1.03 -2.77 117.38 110.83 2wxp n GLN 155 Ca -0.01 0.10 0.01 0.00 -1.94 0.00 0.00 57.00 55.16 2wxp n GLN 155 Cb 0.37 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.24 2wxp n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxp n GLN 156 N -1.44 2.18 -1.68 -1.09 10.64 -1.06 -4.97 117.38 119.96 2wxp n GLN 156 Ca 0.07 -1.38 -0.38 0.00 -1.83 0.00 0.00 57.00 53.47 2wxp n GLN 156 Cb 0.24 -1.04 0.05 0.00 -0.86 0.00 0.00 30.24 28.62 2wxp n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2wxp n LEU 157 N -0.24 4.61 -4.70 2.61 4.77 -1.11 -5.00 117.00 117.94 2wxp n LEU 157 Ca 0.02 0.91 -0.31 0.00 -0.03 0.00 0.00 56.01 56.60 2wxp n LEU 157 Cb 0.23 -1.48 0.15 0.00 -2.33 0.00 0.00 43.42 39.98 2wxp n LEU 157 CO 0.01 -1.17 0.68 -0.83 -1.33 0.00 0.00 177.39 174.76 2wxp s GLY 158 N -1.05 1.68 0.25 -0.72 0.00 -1.26 -4.70 107.32 101.51 2wxp s GLY 158 Ca 0.73 0.46 -0.04 0.00 0.00 0.00 0.00 44.72 45.87 2wxp s GLY 158 CO 0.48 0.87 1.78 0.11 0.00 0.00 0.00 173.10 176.35 2wxp h TRP 159 N -1.69 1.01 -0.67 1.90 5.08 -1.94 0.31 115.95 119.95 2wxp h TRP 159 Ca -0.44 -0.10 -0.05 0.00 1.08 0.00 0.00 58.89 59.38 2wxp h TRP 159 Cb 1.26 -0.29 -0.03 0.00 -3.00 0.00 0.00 29.16 27.10 2wxp h TRP 159 CO 0.51 0.83 0.20 0.28 -1.28 0.00 0.00 178.44 178.99 2wxp h VAL 160 N 0.94 1.25 -0.58 0.12 2.07 -1.98 -1.88 116.25 116.19 2wxp h VAL 160 Ca 0.20 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2wxp h VAL 160 Cb 0.31 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2wxp h VAL 160 CO -0.00 0.33 0.03 -0.33 0.02 0.00 0.00 177.57 177.62 2wxp h GLU 161 N 0.99 0.99 -0.56 1.57 5.08 -1.62 -1.19 114.58 119.83 2wxp h GLU 161 Ca 0.22 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2wxp h GLU 161 Cb 0.28 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2wxp h GLU 161 CO -0.01 0.95 0.25 2.35 -1.00 0.00 0.00 179.01 181.55 2wxp h TRP 162 N 0.91 0.83 -0.53 4.33 2.91 -0.27 -2.31 115.95 121.83 2wxp h TRP 162 Ca 0.17 -0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.17 2wxp h TRP 162 Cb 0.49 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.85 2wxp h TRP 162 CO 0.03 0.66 0.30 -0.07 -1.03 0.00 0.00 178.44 178.33 2wxp h LEU 163 N 0.77 0.46 -1.50 0.65 3.38 -0.98 -0.61 115.31 117.47 2wxp h LEU 163 Ca 0.19 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.31 2wxp h LEU 163 Cb 0.16 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2wxp h LEU 163 CO -0.02 0.32 0.51 1.56 0.09 0.00 0.00 178.44 180.90 2wxp h GLN 164 N 0.58 0.49 0.02 1.13 4.20 -0.89 0.24 115.11 120.89 2wxp h GLN 164 Ca 0.22 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.71 2wxp h GLN 164 Cb 0.07 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.76 2wxp h GLN 164 CO -0.12 0.33 -0.77 -0.92 -0.67 0.00 0.00 178.83 176.68 2wxp h TYR 165 N 0.51 0.73 0.06 2.96 3.20 -0.76 -3.31 116.97 120.35 2wxp h TYR 165 Ca 0.38 -0.41 -0.30 0.00 3.14 0.00 0.00 58.73 61.53 2wxp h TYR 165 Cb 0.75 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 2wxp h TYR 165 CO -0.00 1.25 -1.63 0.45 -1.64 0.00 0.00 178.16 176.58 2wxp n SER 166 N -4.10 1.99 -3.67 -2.11 2.88 -0.33 -0.94 113.62 107.34 2wxp n SER 166 Ca -0.11 0.32 -0.27 0.00 -1.33 0.00 0.00 58.87 57.47 2wxp n SER 166 Cb 0.76 -0.92 -0.11 0.00 -0.75 0.00 0.00 64.21 63.19 2wxp n SER 166 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2wxp n PHE 167 N -3.97 1.62 -2.05 0.66 3.72 0.79 -4.63 117.46 113.59 2wxp n PHE 167 Ca -0.32 -3.91 -0.35 0.00 -0.05 0.00 0.00 57.45 52.82 2wxp n PHE 167 Cb 0.86 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 39.14 2wxp n PHE 167 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2wxp s PRO 168 N -0.94 3.08 0.41 -1.08 0.05 -1.25 -4.51 135.00 130.77 2wxp s PRO 168 Ca 0.29 1.63 -0.26 0.00 0.05 0.00 0.00 61.00 62.71 2wxp s PRO 168 Cb 0.00 -1.97 -0.09 0.00 0.05 0.00 0.00 34.50 32.50 2wxp s PRO 168 CO -0.17 -1.07 1.34 -0.51 0.05 0.00 0.00 177.00 176.64 2wxp s LEU 169 N -4.15 4.20 -0.61 -3.56 1.43 -1.26 -4.90 118.68 109.83 2wxp s LEU 169 Ca 0.73 2.74 -0.04 0.00 -1.03 0.00 0.00 54.13 56.53 2wxp s LEU 169 Cb -0.25 -3.90 0.16 0.00 0.03 0.00 0.00 46.19 42.23 2wxp s LEU 169 CO 0.32 -0.93 0.44 -1.10 0.23 0.00 0.00 176.35 175.31 2wxp s GLN 170 N -2.28 2.58 0.06 1.70 -0.21 -1.26 -5.06 119.66 115.19 2wxp s GLN 170 Ca 0.58 -2.41 0.03 0.00 0.02 0.00 0.00 55.36 53.57 2wxp s GLN 170 Cb -0.40 -3.78 -0.04 0.00 1.00 0.00 0.00 33.01 29.79 2wxp s GLN 170 CO 0.51 -1.17 0.06 -0.51 -2.12 0.00 0.00 175.29 172.06 2wxp s LEU 171 N 0.15 3.75 0.52 2.90 1.43 -1.26 0.11 118.68 126.28 2wxp s LEU 171 Ca 0.16 -0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 2wxp s LEU 171 Cb -0.20 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 2wxp s LEU 171 CO -0.04 0.20 1.29 -1.61 0.23 0.00 0.00 176.35 176.42 2wxp s GLU 172 N -2.21 3.31 0.00 1.70 0.41 0.92 -4.67 118.70 118.16 2wxp s GLU 172 Ca 0.27 2.06 0.00 0.00 -0.41 0.00 0.00 54.97 56.89 2wxp s GLU 172 Cb -0.12 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 2wxp s GLU 172 CO 0.19 -1.00 0.55 -2.30 -0.49 0.00 0.00 175.26 172.21 2wxp n PRO 173 N -0.92 0.00 0.00 0.39 -0.02 -1.26 -5.03 135.00 128.16 2wxp n PRO 173 Ca 0.10 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2wxp n PRO 173 Cb 0.46 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2wxp n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wxp n ASN 187 N -1.05 0.00 -4.22 2.55 2.85 -1.26 -4.82 115.26 109.31 2wxp n ASN 187 Ca 0.00 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.19 2wxp n ASN 187 Cb 0.01 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.88 2wxp n ASN 187 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2wxp s ARG 188 N 0.00 1.88 0.17 1.20 3.00 -1.26 -5.00 118.95 118.94 2wxp s ARG 188 Ca 0.00 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.73 53.68 2wxp s ARG 188 Cb 0.00 -1.74 -0.07 0.00 0.00 0.00 0.00 34.95 33.14 2wxp s ARG 188 CO 0.00 0.41 0.93 0.00 0.00 0.00 0.00 175.30 176.64 2wxp s ALA 189 N -0.34 3.31 0.04 6.12 0.00 -1.26 -0.76 121.76 128.86 2wxp s ALA 189 Ca 0.04 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2wxp s ALA 189 Cb -0.10 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2wxp s ALA 189 CO 0.01 0.11 -0.08 -0.48 0.00 0.00 0.00 175.76 175.31 2wxp s LEU 190 N -0.63 2.22 0.03 0.00 2.34 0.60 -4.90 118.68 118.35 2wxp s LEU 190 Ca 0.43 -0.49 -0.20 0.00 0.06 0.00 0.00 54.13 53.93 2wxp s LEU 190 Cb -0.24 -0.22 -0.06 0.00 -0.56 0.00 0.00 46.19 45.10 2wxp s LEU 190 CO 0.30 -0.15 0.58 -0.76 -1.06 0.00 0.00 176.35 175.27 2wxp s LEU 191 N -1.39 4.47 0.02 1.48 1.43 -1.26 -1.50 118.68 121.93 2wxp s LEU 191 Ca -0.07 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 2wxp s LEU 191 Cb -0.09 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 2wxp s LEU 191 CO 0.01 0.18 -0.07 -0.69 0.23 0.00 0.00 176.35 176.00 2wxp s VAL 192 N -0.62 0.56 -0.14 -1.59 1.01 -0.15 -3.82 120.40 115.64 2wxp s VAL 192 Ca 0.30 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2wxp s VAL 192 Cb -0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2wxp s VAL 192 CO 0.18 -0.06 0.03 0.21 0.00 0.00 0.00 175.10 175.46 2wxp s ASN 193 N -0.74 5.38 0.02 3.32 3.84 0.07 -0.18 114.94 126.65 2wxp s ASN 193 Ca -0.02 0.09 0.03 0.00 0.21 0.00 0.00 52.86 53.17 2wxp s ASN 193 Cb -0.06 -1.77 -0.02 0.00 -0.55 0.00 0.00 41.25 38.86 2wxp s ASN 193 CO 0.00 0.26 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.78 2wxp s VAL 194 N -0.16 0.75 0.14 -5.21 1.01 0.51 -0.74 120.40 116.70 2wxp s VAL 194 Ca 0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2wxp s VAL 194 Cb -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2wxp s VAL 194 CO 0.02 -0.04 0.23 -1.59 0.00 0.00 0.00 175.10 173.72 2wxp s LYS 195 N -0.88 1.06 0.19 2.72 -2.85 -0.81 -0.42 119.74 118.74 2wxp s LYS 195 Ca -0.01 -1.17 0.05 0.00 -1.00 0.00 0.00 55.97 53.84 2wxp s LYS 195 Cb -0.06 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2wxp s LYS 195 CO 0.00 -0.37 0.21 -0.06 0.10 0.00 0.00 175.35 175.24 2wxp s PHE 196 N -3.96 3.26 0.12 1.78 0.08 -1.26 0.09 117.98 118.09 2wxp s PHE 196 Ca 0.16 -0.01 -0.31 0.00 0.12 0.00 0.00 56.93 56.89 2wxp s PHE 196 Cb 0.04 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.88 2wxp s PHE 196 CO -0.02 0.51 1.58 1.49 -0.10 0.00 0.00 175.22 178.68 2wxp h GLU 197 N 1.97 -0.58 -2.15 0.44 4.81 -1.93 -3.05 114.58 114.10 2wxp h GLU 197 Ca -0.49 0.04 -0.72 0.00 -0.13 0.00 0.00 59.36 58.06 2wxp h GLU 197 Cb 1.21 0.13 -0.23 0.00 0.63 0.00 0.00 28.75 30.49 2wxp h GLU 197 CO 0.64 -0.38 1.10 0.41 -0.73 0.00 0.00 179.01 180.04 2wxp n GLY 198 N -1.45 5.42 3.46 1.92 0.00 -1.26 -4.93 105.19 108.35 2wxp n GLY 198 Ca -0.06 -2.34 -0.14 0.00 0.00 0.00 0.00 46.02 43.48 2wxp n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wxp s SER 199 N -0.68 -0.57 0.08 1.61 0.15 -1.15 -5.04 113.70 108.08 2wxp s SER 199 Ca 0.50 1.03 -0.14 0.00 0.70 0.00 0.00 55.95 58.04 2wxp s SER 199 Cb 0.33 1.04 -0.20 0.00 -1.71 0.00 0.00 66.02 65.48 2wxp s SER 199 CO -0.26 -0.25 1.23 -0.33 1.20 0.00 0.00 173.24 174.83 2wxp h GLU 200 N 4.94 0.70 -7.17 5.44 3.07 -1.91 -3.43 114.58 116.22 2wxp h GLU 200 Ca -0.28 -0.66 -0.52 0.00 -0.50 0.00 0.00 59.36 57.40 2wxp h GLU 200 Cb 1.17 0.16 0.12 0.00 -0.84 0.00 0.00 28.75 29.36 2wxp h GLU 200 CO 0.19 1.26 0.40 -1.21 -1.40 0.00 0.00 179.01 178.24 2wxp s GLU 201 N -3.52 2.68 0.12 2.33 2.02 -1.26 -5.04 118.70 116.04 2wxp s GLU 201 Ca -0.11 1.58 -0.23 0.00 0.02 0.00 0.00 54.97 56.23 2wxp s GLU 201 Cb 0.07 -1.92 0.07 0.00 0.10 0.00 0.00 34.13 32.45 2wxp s GLU 201 CO 0.90 -1.38 0.59 -1.54 0.02 0.00 0.00 175.26 173.85 2wxp s SER 202 N -2.21 -0.54 -0.09 -0.19 1.04 -1.26 -4.44 113.70 106.01 2wxp s SER 202 Ca 0.71 0.07 0.03 0.00 0.48 0.00 0.00 55.95 57.24 2wxp s SER 202 Cb -0.25 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2wxp s SER 202 CO 0.40 -0.90 -0.16 -0.36 0.98 0.00 0.00 173.24 173.20 2wxp s PHE 203 N -3.35 1.90 -0.09 5.02 0.08 0.44 -4.96 117.98 117.02 2wxp s PHE 203 Ca -0.01 -0.79 -0.18 0.00 0.12 0.00 0.00 56.93 56.07 2wxp s PHE 203 Cb -0.01 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2wxp s PHE 203 CO -0.09 -0.38 0.49 0.99 -0.10 0.00 0.00 175.22 176.13 2wxp s THR 204 N 0.68 5.14 0.06 0.64 2.01 -1.26 -0.36 115.64 122.55 2wxp s THR 204 Ca -0.13 0.98 0.08 0.00 0.31 0.00 0.00 61.69 62.93 2wxp s THR 204 Cb -0.16 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2wxp s THR 204 CO 0.03 0.36 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.74 2wxp s PHE 205 N 0.36 2.00 -0.16 4.92 0.08 0.74 -4.97 117.98 120.96 2wxp s PHE 205 Ca 0.26 -0.39 -0.15 0.00 0.12 0.00 0.00 56.93 56.77 2wxp s PHE 205 Cb -0.16 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 2wxp s PHE 205 CO 0.11 0.15 0.36 -1.14 -0.10 0.00 0.00 175.22 174.60 2wxp s GLN 206 N -1.41 4.26 0.30 0.44 0.74 -1.26 -0.98 119.66 121.76 2wxp s GLN 206 Ca 0.09 0.20 0.04 0.00 0.05 0.00 0.00 55.36 55.74 2wxp s GLN 206 Cb -0.09 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.53 2wxp s GLN 206 CO 0.03 0.15 0.19 0.14 -0.55 0.00 0.00 175.29 175.25 2wxp s VAL 207 N 0.71 0.21 0.00 1.34 -7.23 -0.56 -4.99 120.40 109.89 2wxp s VAL 207 Ca 0.19 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2wxp s VAL 207 Cb -0.14 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2wxp s VAL 207 CO 0.06 0.00 0.27 -0.55 -0.31 0.00 0.00 175.10 174.57 2wxp s SER 208 N -3.36 6.50 0.63 4.85 0.15 -1.26 -0.29 113.70 120.92 2wxp s SER 208 Ca 0.37 0.58 0.29 0.00 0.70 0.00 0.00 55.95 57.88 2wxp s SER 208 Cb 0.04 -2.10 1.55 0.00 -1.71 0.00 0.00 66.02 63.80 2wxp s SER 208 CO 0.19 0.26 1.90 0.71 1.20 0.00 0.00 173.24 177.50 2wxp h THR 209 N 3.10 0.15 0.00 6.45 1.35 -1.29 -1.41 112.91 121.26 2wxp h THR 209 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2wxp h THR 209 Cb 1.20 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2wxp h THR 209 CO 0.66 0.00 -0.36 2.29 -0.25 0.00 0.00 175.52 177.85 2wxp n LYS 210 N -3.22 0.14 -2.24 4.72 2.85 -1.26 -2.18 118.16 116.97 2wxp n LYS 210 Ca 0.02 0.06 -0.39 0.00 -1.05 0.00 0.00 58.31 56.95 2wxp n LYS 210 Cb 0.49 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 33.24 2wxp n LYS 210 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wxp s ASP 211 N -3.64 6.69 0.58 -5.58 1.01 -0.53 -4.60 116.67 110.59 2wxp s ASP 211 Ca 0.10 2.48 -0.16 0.00 0.71 0.00 0.00 52.55 55.68 2wxp s ASP 211 Cb 0.16 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 2wxp s ASP 211 CO 0.66 -0.57 1.05 -0.04 0.21 0.00 0.00 175.17 176.48 2wxp s MET 212 N -2.00 3.39 0.58 8.23 -1.94 -1.26 -1.26 119.30 125.04 2wxp s MET 212 Ca 0.52 1.22 0.29 0.00 -1.71 0.00 0.00 55.69 56.01 2wxp s MET 212 Cb -0.35 -2.04 1.51 0.00 2.01 0.00 0.00 34.83 35.96 2wxp s MET 212 CO 0.45 -0.76 1.95 -1.35 -0.01 0.00 0.00 175.02 175.30 2wxp h PRO 213 N 0.58 0.00 -0.34 2.03 0.11 -1.80 -2.28 132.00 130.30 2wxp h PRO 213 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2wxp h PRO 213 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2wxp h PRO 213 CO 0.58 0.00 -0.05 1.25 -0.21 0.00 0.00 178.00 179.56 2wxp h LEU 214 N 0.00 0.63 -0.70 2.35 5.85 -1.92 -0.62 115.31 120.91 2wxp h LEU 214 Ca 0.19 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.65 2wxp h LEU 214 Cb 1.02 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 2wxp h LEU 214 CO -0.00 0.83 0.35 0.00 -0.34 0.00 0.00 178.44 179.28 2wxp h ALA 215 N 0.82 0.96 -0.37 1.25 0.00 -1.79 0.82 119.26 120.95 2wxp h ALA 215 Ca 0.09 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2wxp h ALA 215 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2wxp h ALA 215 CO 0.03 -0.04 -0.22 1.25 0.00 0.00 0.00 179.25 180.27 2wxp h LEU 216 N 0.61 0.84 -1.64 0.00 6.46 -1.48 -2.36 115.31 117.73 2wxp h LEU 216 Ca 0.34 -0.42 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 2wxp h LEU 216 Cb 0.34 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2wxp h LEU 216 CO -0.25 1.08 0.02 0.24 -0.62 0.00 0.00 178.44 178.90 2wxp h MET 217 N 0.60 0.24 -0.38 1.25 2.86 -0.34 -2.60 114.93 116.56 2wxp h MET 217 Ca 0.08 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 2wxp h MET 217 Cb 0.79 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2wxp h MET 217 CO 0.06 0.25 -0.28 0.00 1.06 0.00 0.00 176.91 178.00 2wxp h ALA 218 N 1.78 0.78 -0.13 6.32 0.00 -0.36 -2.74 119.26 124.92 2wxp h ALA 218 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2wxp h ALA 218 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wxp h ALA 218 CO 0.00 0.65 0.06 0.00 0.00 0.00 0.00 179.25 179.96 2wxp h ALA 220 N 0.91 1.74 0.05 0.00 0.00 -1.36 0.68 119.26 121.28 2wxp h ALA 220 Ca 0.04 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 2wxp h ALA 220 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wxp h ALA 220 CO -0.00 -0.08 -1.04 -0.07 0.00 0.00 0.00 179.25 178.05 2wxp h LEU 221 N 0.74 0.50 -0.54 0.00 3.38 -1.39 -1.09 115.31 116.92 2wxp h LEU 221 Ca 0.55 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wxp h LEU 221 Cb 0.88 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2wxp h LEU 221 CO -0.33 1.27 0.29 0.03 0.09 0.00 0.00 178.44 179.80 2wxp h ARG 222 N 0.18 0.75 -0.52 1.13 3.08 -0.86 0.23 114.38 118.38 2wxp h ARG 222 Ca -0.10 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 2wxp h ARG 222 Cb 1.71 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 2wxp h ARG 222 CO 0.18 0.58 0.16 0.87 -1.07 0.00 0.00 179.97 180.69 2wxp h LYS 223 N 0.72 0.77 -0.15 0.04 1.79 -0.87 -1.71 116.57 117.17 2wxp h LYS 223 Ca 0.19 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2wxp h LYS 223 Cb 0.05 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2wxp h LYS 223 CO -0.03 0.67 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.66 2wxp h LYS 224 N 0.75 0.35 -0.31 3.15 3.64 -0.88 -2.96 116.57 120.31 2wxp h LYS 224 Ca 0.17 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2wxp h LYS 224 Cb 0.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2wxp h LYS 224 CO -0.01 0.72 0.05 0.00 -2.27 0.00 0.00 179.45 177.94 2wxp h ALA 225 N 0.62 1.50 0.07 5.00 0.00 -0.37 0.24 119.26 126.31 2wxp h ALA 225 Ca 0.03 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 2wxp h ALA 225 Cb 0.65 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.33 2wxp h ALA 225 CO 0.03 0.37 -1.15 1.79 0.00 0.00 0.00 179.25 180.29 2wxp h THR 226 N 0.45 1.28 0.25 0.00 1.35 -1.37 1.32 112.91 116.20 2wxp h THR 226 Ca 0.11 -2.36 -0.01 0.00 -0.55 0.00 0.00 66.41 63.60 2wxp h THR 226 Cb 0.23 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2wxp h THR 226 CO 0.00 0.72 -0.12 0.58 -0.25 0.00 0.00 175.52 176.45 2wxp h VAL 227 N 0.33 0.80 0.00 6.82 2.07 -1.40 -3.22 116.25 121.65 2wxp h VAL 227 Ca -0.16 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2wxp h VAL 227 Cb 1.82 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2wxp h VAL 227 CO 0.22 0.09 0.00 0.15 0.02 0.00 0.00 177.57 178.05 2wxp h PHE 228 N -0.56 0.00 -2.03 1.57 3.57 -0.59 -3.46 116.94 115.43 2wxp h PHE 228 Ca -0.03 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.23 2wxp h PHE 228 Cb 0.41 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.16 2wxp h PHE 228 CO -0.00 0.00 -0.31 0.54 -2.23 0.00 0.00 178.31 176.31 2wxp n ARG 229 N -2.36 -1.58 -1.15 1.11 5.12 0.12 -5.02 116.66 112.90 2wxp n ARG 229 Ca 0.02 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 2wxp n ARG 229 Cb 0.22 -4.65 0.00 0.00 -1.16 0.00 0.00 32.46 26.87 2wxp n ARG 229 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wxp n GLN 230 N -2.28 -3.14 -3.34 5.56 7.27 0.43 -4.99 117.38 116.90 2wxp n GLN 230 Ca -0.11 2.40 -0.44 0.00 0.07 0.00 0.00 57.00 58.92 2wxp n GLN 230 Cb 0.59 -2.87 -0.08 0.00 2.41 0.00 0.00 30.24 30.29 2wxp n GLN 230 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2wxp s GLN 235 N -4.74 3.03 0.45 3.69 2.00 -1.26 -5.06 119.66 117.77 2wxp s GLN 235 Ca 0.00 -1.06 0.17 0.00 -2.00 0.00 0.00 55.36 52.47 2wxp s GLN 235 Cb 0.00 -4.06 1.11 0.00 0.80 0.00 0.00 33.01 30.85 2wxp s GLN 235 CO 0.00 -0.98 1.94 -1.35 -0.50 0.00 0.00 175.29 174.40 2wxp h PRO 236 N 8.78 0.34 0.00 1.67 0.11 -1.93 -1.59 132.00 139.38 2wxp h PRO 236 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2wxp h PRO 236 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2wxp h PRO 236 CO 0.85 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 179.25 2wxp n GLU 237 N -4.46 0.10 0.00 1.05 4.71 -1.26 -1.93 120.64 118.85 2wxp n GLU 237 Ca 0.13 0.42 0.15 0.00 -0.01 0.00 0.00 57.16 57.85 2wxp n GLU 237 Cb 0.51 -1.72 0.77 0.00 -1.01 0.00 0.00 31.44 30.00 2wxp n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wxp n GLU 238 N -1.91 1.23 -4.45 3.49 -0.58 -0.60 -4.92 120.64 112.90 2wxp n GLU 238 Ca 0.02 -0.38 -0.22 0.00 -0.42 0.00 0.00 57.16 56.16 2wxp n GLU 238 Cb 0.14 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.42 2wxp n GLU 238 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wxp s TYR 239 N -2.03 2.10 0.17 -0.32 2.02 -0.81 -0.12 117.35 118.36 2wxp s TYR 239 Ca 0.43 -0.51 0.06 0.00 -0.37 0.00 0.00 57.07 56.68 2wxp s TYR 239 Cb 0.22 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.68 2wxp s TYR 239 CO 0.36 0.51 -0.11 0.00 -1.57 0.00 0.00 175.55 174.74 2wxp s ALA 240 N -2.76 1.69 -0.24 3.71 0.00 -0.18 -4.95 121.76 119.03 2wxp s ALA 240 Ca 0.29 -1.58 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 2wxp s ALA 240 Cb -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2wxp s ALA 240 CO 0.13 -0.05 0.26 -0.51 0.00 0.00 0.00 175.76 175.59 2wxp s LEU 241 N -3.23 4.10 -0.08 0.00 1.43 -0.86 -0.79 118.68 119.24 2wxp s LEU 241 Ca 0.20 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 2wxp s LEU 241 Cb 0.02 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 2wxp s LEU 241 CO 0.03 -0.03 0.27 -1.58 0.23 0.00 0.00 176.35 175.28 2wxp s GLN 242 N 1.38 3.79 -0.07 1.70 0.74 0.98 0.70 119.66 128.88 2wxp s GLN 242 Ca 0.11 0.12 -0.30 0.00 0.05 0.00 0.00 55.36 55.35 2wxp s GLN 242 Cb -0.15 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.69 2wxp s GLN 242 CO 0.07 0.64 1.20 0.08 -0.55 0.00 0.00 175.29 176.73 2wxp s VAL 243 N -0.76 4.28 0.01 1.34 1.01 0.01 0.04 120.40 126.33 2wxp s VAL 243 Ca 0.19 1.59 -0.34 0.00 0.00 0.00 0.00 61.98 63.42 2wxp s VAL 243 Cb -0.14 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 2wxp s VAL 243 CO 0.08 -0.02 1.74 0.59 0.00 0.00 0.00 175.10 177.48 2wxp n ASN 244 N 5.36 3.20 -0.20 3.32 4.13 -0.98 -2.20 115.26 127.90 2wxp n ASN 244 Ca 0.11 1.03 -0.03 0.00 1.68 0.00 0.00 54.58 57.37 2wxp n ASN 244 Cb 0.46 -1.38 -0.01 0.00 -1.54 0.00 0.00 39.78 37.31 2wxp n ASN 244 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wxp n GLY 245 N 3.93 0.48 3.38 7.41 0.00 -1.22 -4.34 105.19 114.83 2wxp n GLY 245 Ca 0.20 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2wxp n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wxp s ARG 246 N -1.48 1.42 -1.50 1.61 0.52 -0.93 -4.33 118.95 114.25 2wxp s ARG 246 Ca 0.00 -1.57 -0.10 0.00 -0.52 0.00 0.00 55.73 53.54 2wxp s ARG 246 Cb 0.00 -1.41 0.01 0.00 0.52 0.00 0.00 34.95 34.06 2wxp s ARG 246 CO 0.00 0.27 2.59 0.72 0.02 0.00 0.00 175.30 178.89 2wxp n HIS 247 N -0.17 2.74 -3.98 -0.53 8.25 0.77 -4.60 115.22 117.70 2wxp n HIS 247 Ca -0.09 -2.99 -0.12 0.00 -0.26 0.00 0.00 57.72 54.26 2wxp n HIS 247 Cb 0.59 -2.32 -0.13 0.00 1.12 0.00 0.00 29.99 29.25 2wxp n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2wxp s GLU 248 N 1.51 0.24 0.03 -0.41 2.12 -1.26 -4.60 118.70 116.32 2wxp s GLU 248 Ca 0.59 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.57 2wxp s GLU 248 Cb 0.16 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 2wxp s GLU 248 CO -0.07 0.01 -0.01 0.71 -0.54 0.00 0.00 175.26 175.36 2wxp s TYR 249 N -0.71 0.29 -0.15 5.30 1.51 -1.26 -0.81 117.35 121.52 2wxp s TYR 249 Ca -0.07 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 2wxp s TYR 249 Cb -0.05 -0.21 0.01 0.00 -0.11 0.00 0.00 41.96 41.59 2wxp s TYR 249 CO -0.00 -0.25 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.50 2wxp s LEU 250 N -1.77 2.29 0.16 -1.29 1.02 0.22 -4.77 118.68 114.54 2wxp s LEU 250 Ca -0.11 -0.54 -0.24 0.00 0.02 0.00 0.00 54.13 53.26 2wxp s LEU 250 Cb -0.06 -1.51 0.07 0.00 0.02 0.00 0.00 46.19 44.72 2wxp s LEU 250 CO -0.03 0.07 1.00 -0.72 0.02 0.00 0.00 176.35 176.69 2wxp s TYR 251 N 0.86 -0.06 0.00 0.29 -0.85 -1.26 -2.04 117.35 114.29 2wxp s TYR 251 Ca -0.05 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 2wxp s TYR 251 Cb -0.15 0.66 0.00 0.00 0.38 0.00 0.00 41.96 42.85 2wxp s TYR 251 CO -0.02 -0.85 0.00 0.41 -1.52 0.00 0.00 175.55 173.58 2wxp n GLY 252 N -0.54 0.88 2.75 5.49 0.00 -1.26 -4.75 105.19 107.75 2wxp n GLY 252 Ca -0.05 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 2wxp n GLY 252 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxp n ASN 253 N 0.00 6.38 -3.99 1.61 4.13 -1.26 -4.52 115.26 117.61 2wxp n ASN 253 Ca 0.00 -3.21 -0.21 0.00 1.68 0.00 0.00 54.58 52.84 2wxp n ASN 253 Cb 0.00 -1.39 -0.16 0.00 -1.54 0.00 0.00 39.78 36.70 2wxp n ASN 253 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2wxp s TYR 254 N -0.92 0.98 0.48 3.10 2.02 -1.26 -5.10 117.35 116.66 2wxp s TYR 254 Ca 0.43 -0.27 -0.24 0.00 -0.37 0.00 0.00 57.07 56.62 2wxp s TYR 254 Cb 0.12 -0.72 -0.07 0.00 -0.40 0.00 0.00 41.96 40.89 2wxp s TYR 254 CO -0.02 -0.13 1.41 -1.25 -1.57 0.00 0.00 175.55 173.99 2wxp s PRO 255 N 0.33 3.49 0.33 -1.71 0.04 -1.26 -3.98 135.00 132.24 2wxp s PRO 255 Ca -0.06 2.38 0.10 0.00 0.04 0.00 0.00 61.00 63.47 2wxp s PRO 255 Cb -0.10 -2.52 0.89 0.00 0.04 0.00 0.00 34.50 32.81 2wxp s PRO 255 CO 0.01 -0.96 1.74 -0.07 0.04 0.00 0.00 177.00 177.76 2wxp h LEU 256 N 2.02 0.66 0.00 -3.56 3.38 -0.68 0.15 115.31 117.29 2wxp h LEU 256 Ca -0.51 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2wxp h LEU 256 Cb 1.28 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wxp h LEU 256 CO 0.60 0.13 0.00 0.00 0.09 0.00 0.00 178.44 179.25 2wxp h HIS 258 N 0.00 0.00 -3.10 0.00 3.86 -1.00 -3.40 115.15 111.51 2wxp h HIS 258 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 2wxp h HIS 258 Cb 0.07 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 2wxp h HIS 258 CO 0.00 0.00 0.77 -0.06 0.86 0.00 0.00 177.93 179.50 2wxp s PHE 259 N -3.20 3.35 0.34 2.45 0.08 -0.59 -0.05 117.98 120.36 2wxp s PHE 259 Ca 0.05 1.48 0.12 0.00 0.12 0.00 0.00 56.93 58.70 2wxp s PHE 259 Cb 0.12 -3.26 1.04 0.00 -0.57 0.00 0.00 43.02 40.35 2wxp s PHE 259 CO 0.72 -0.47 1.60 1.96 -0.10 0.00 0.00 175.22 178.93 2wxp h GLN 260 N 7.42 0.08 -0.35 0.44 4.20 -0.60 0.59 115.11 126.89 2wxp h GLN 260 Ca -0.21 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2wxp h GLN 260 Cb 1.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 2wxp h GLN 260 CO 0.96 0.05 0.15 -0.92 -0.67 0.00 0.00 178.83 178.40 2wxp h TYR 261 N 0.08 0.51 -0.51 2.96 3.20 -1.92 0.36 116.97 121.65 2wxp h TYR 261 Ca 0.72 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.49 2wxp h TYR 261 Cb 1.70 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.79 2wxp h TYR 261 CO -0.19 0.46 0.06 0.82 -1.64 0.00 0.00 178.16 177.67 2wxp h ILE 262 N 0.42 1.25 -0.32 1.81 1.08 -1.22 -1.76 117.51 118.77 2wxp h ILE 262 Ca 0.12 -0.97 0.06 0.00 -0.39 0.00 0.00 64.86 63.68 2wxp h ILE 262 Cb 0.15 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 2wxp h ILE 262 CO -0.01 0.35 -0.09 0.00 -0.69 0.00 0.00 178.15 177.71 2wxp h SER 264 N -0.02 -0.56 -0.99 0.00 0.87 -0.75 -2.41 113.55 109.69 2wxp h SER 264 Ca 0.15 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2wxp h SER 264 Cb 0.25 0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 2wxp h SER 264 CO -0.33 -0.21 0.65 0.00 -0.53 0.00 0.00 176.83 176.41 2wxp h LEU 266 N 1.34 1.08 0.42 0.00 3.38 -1.05 -0.09 115.31 120.40 2wxp h LEU 266 Ca 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wxp h LEU 266 Cb -0.15 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.31 2wxp h LEU 266 CO -0.08 1.06 -0.20 0.45 0.09 0.00 0.00 178.44 179.76 2wxp h HIS 267 N 1.05 -0.52 -0.10 1.13 3.86 -0.90 -3.29 115.15 116.39 2wxp h HIS 267 Ca 0.21 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 2wxp h HIS 267 Cb 0.43 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 2wxp h HIS 267 CO 0.03 -0.33 0.08 0.66 0.86 0.00 0.00 177.93 179.23 2wxp h SER 268 N -1.00 0.00 0.00 2.45 4.64 -1.25 -3.46 113.55 114.94 2wxp h SER 268 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2wxp h SER 268 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2wxp h SER 268 CO 0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 2wxp n GLY 269 N -1.50 0.28 3.73 -0.77 0.00 -0.10 -5.09 105.19 101.75 2wxp n GLY 269 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2wxp n GLY 269 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxp s LEU 270 N 0.00 2.65 -0.25 0.99 2.96 -0.85 -4.94 118.68 119.25 2wxp s LEU 270 Ca 0.00 1.72 -0.15 0.00 -0.22 0.00 0.00 54.13 55.48 2wxp s LEU 270 Cb 0.00 -4.26 -0.04 0.00 0.50 0.00 0.00 46.19 42.39 2wxp s LEU 270 CO 0.00 -2.44 0.38 -0.89 -1.32 0.00 0.00 176.35 172.08 2wxp s THR 271 N -2.88 5.18 0.28 3.68 2.01 -1.26 -4.50 115.64 118.15 2wxp s THR 271 Ca 0.63 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 2wxp s THR 271 Cb -0.18 -3.71 -0.13 0.00 0.01 0.00 0.00 72.50 68.49 2wxp s THR 271 CO 0.57 0.19 1.32 -2.65 -0.69 0.00 0.00 174.62 173.35 2wxp n PRO 272 N 5.05 2.00 -4.01 4.92 -0.02 -1.25 -4.83 135.00 136.86 2wxp n PRO 272 Ca -0.08 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.80 2wxp n PRO 272 Cb 0.51 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.52 2wxp n PRO 272 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wxp s HIS 273 N -0.57 2.15 0.07 6.00 3.76 -1.26 -0.75 115.29 124.69 2wxp s HIS 273 Ca 0.62 -1.24 0.04 0.00 -0.15 0.00 0.00 55.06 54.33 2wxp s HIS 273 Cb -0.62 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 2wxp s HIS 273 CO 0.56 -0.67 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.15 2wxp s LEU 274 N 1.49 2.30 -0.06 0.89 1.43 0.08 -2.31 118.68 122.50 2wxp s LEU 274 Ca 0.04 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 2wxp s LEU 274 Cb -0.13 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 2wxp s LEU 274 CO -0.10 -0.14 -0.20 -0.89 0.23 0.00 0.00 176.35 175.25 2wxp s THR 275 N -1.53 2.48 -0.52 5.49 2.01 0.11 -1.93 115.64 121.75 2wxp s THR 275 Ca -0.02 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 2wxp s THR 275 Cb -0.09 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.51 2wxp s THR 275 CO 0.02 0.57 1.18 -0.04 -0.69 0.00 0.00 174.62 175.65 2wxp s MET 276 N -0.31 3.62 -0.21 4.92 -1.94 0.11 -0.01 119.30 125.48 2wxp s MET 276 Ca 0.01 0.44 -0.06 0.00 -1.71 0.00 0.00 55.69 54.38 2wxp s MET 276 Cb -0.13 -3.96 -0.02 0.00 2.01 0.00 0.00 34.83 32.73 2wxp s MET 276 CO 0.02 -1.53 0.02 0.08 -0.01 0.00 0.00 175.02 173.60 2wxp s VAL 277 N 4.73 4.04 0.74 -6.03 1.01 0.03 -3.25 120.40 121.67 2wxp s VAL 277 Ca 0.46 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 2wxp s VAL 277 Cb -0.07 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.50 2wxp s VAL 277 CO 0.29 0.40 1.11 -2.28 0.00 0.00 0.00 175.10 174.62 2wxp s HIS 278 N 1.18 2.51 0.24 5.22 2.46 -1.26 -1.01 115.29 124.64 2wxp s HIS 278 Ca 0.03 1.57 -0.05 0.00 0.47 0.00 0.00 55.06 57.09 2wxp s HIS 278 Cb -0.14 -3.13 0.27 0.00 -0.13 0.00 0.00 32.58 29.44 2wxp s HIS 278 CO 0.02 -1.85 1.80 0.66 -2.47 0.00 0.00 174.74 172.90 2wxp h SER 279 N -0.70 0.97 0.11 9.88 4.64 -0.89 -2.31 113.55 125.24 2wxp h SER 279 Ca -0.45 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 60.70 2wxp h SER 279 Cb 1.24 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2wxp h SER 279 CO 0.52 0.88 -0.07 0.77 -0.87 0.00 0.00 176.83 178.06 2wxp h SER 280 N 1.01 0.00 0.01 4.97 4.64 -1.94 -1.22 113.55 121.03 2wxp h SER 280 Ca 0.23 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.30 2wxp h SER 280 Cb 0.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2wxp h SER 280 CO -0.01 0.07 -0.96 -1.28 -0.87 0.00 0.00 176.83 173.78 2wxp h SER 281 N 0.00 0.83 -0.33 4.97 0.87 -1.80 -2.04 113.55 116.05 2wxp h SER 281 Ca -0.00 -0.75 -0.08 0.00 -1.23 0.00 0.00 61.79 59.73 2wxp h SER 281 Cb 0.15 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2wxp h SER 281 CO 0.01 1.47 -0.06 0.40 -0.53 0.00 0.00 176.83 178.12 2wxp h ILE 282 N 0.28 1.25 -0.19 2.23 2.04 -1.21 -2.43 117.51 119.47 2wxp h ILE 282 Ca -0.12 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.52 2wxp h ILE 282 Cb 1.63 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2wxp h ILE 282 CO 0.19 0.37 -0.49 -0.07 0.00 0.00 0.00 178.15 178.15 2wxp h LEU 283 N 0.68 0.56 -1.53 1.44 3.38 -1.23 -1.50 115.31 117.10 2wxp h LEU 283 Ca 0.12 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2wxp h LEU 283 Cb 0.51 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2wxp h LEU 283 CO 0.03 0.96 0.38 0.00 0.09 0.00 0.00 178.44 179.89 2wxp h ALA 284 N 1.06 1.78 0.09 1.53 0.00 -1.16 0.25 119.26 122.82 2wxp h ALA 284 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wxp h ALA 284 Cb 1.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2wxp h ALA 284 CO 0.09 0.14 -0.04 0.52 0.00 0.00 0.00 179.25 179.96 2wxp h MET 285 N 0.60 -0.12 -0.90 0.00 2.86 -0.90 -2.38 114.93 114.08 2wxp h MET 285 Ca 0.24 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.96 2wxp h MET 285 Cb 0.19 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.81 2wxp h MET 285 CO -0.07 0.27 0.56 -0.09 1.06 0.00 0.00 176.91 178.64 2wxp h ARG 286 N -0.53 0.94 -0.71 1.72 2.43 -0.87 -2.57 114.38 114.79 2wxp h ARG 286 Ca -0.01 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2wxp h ARG 286 Cb 0.44 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2wxp h ARG 286 CO 0.02 0.63 0.47 -0.44 -1.51 0.00 0.00 179.97 179.13 2wxp h ASP 287 N 0.97 0.82 0.66 -3.80 5.19 -0.50 -2.86 116.42 116.90 2wxp h ASP 287 Ca 0.41 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2wxp h ASP 287 Cb 0.26 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2wxp h ASP 287 CO -0.20 0.60 0.00 -1.84 -3.12 0.00 0.00 179.24 174.67 2wxp n GLU 288 N -4.59 0.03 -0.56 3.56 0.28 -0.90 -3.30 120.64 115.17 2wxp n GLU 288 Ca 0.06 0.21 0.08 0.00 -0.16 0.00 0.00 57.16 57.36 2wxp n GLU 288 Cb 0.02 -1.55 0.31 0.00 1.43 0.00 0.00 31.44 31.65 2wxp n GLU 288 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2wxp n GLN 289 N -1.60 3.60 -0.53 3.44 6.02 -1.08 -5.00 117.38 122.24 2wxp n GLN 289 Ca 0.04 -2.81 -0.29 0.00 -0.01 0.00 0.00 57.00 53.93 2wxp n GLN 289 Cb 0.22 -1.86 0.24 0.00 1.02 0.00 0.00 30.24 29.86 2wxp n GLN 289 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wxp s SER 290 N -1.19 1.33 0.00 1.08 1.04 -1.21 -4.45 113.70 110.30 2wxp s SER 290 Ca 0.45 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.63 2wxp s SER 290 Cb 0.32 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2wxp s SER 290 CO 0.17 -4.02 0.00 0.59 0.98 0.00 0.00 173.24 170.96 2wxp n ASN 291 N -4.81 0.00 0.00 7.02 5.03 -1.26 -4.51 115.26 116.73 2wxp n ASN 291 Ca 0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.50 2wxp n ASN 291 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2wxp n ASN 291 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wxp n LEU 316 N 0.00 0.00 0.27 3.41 -0.00 -1.26 -5.07 117.00 114.35 2wxp n LEU 316 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 2wxp n LEU 316 Cb 0.00 0.00 0.71 0.00 -0.00 0.00 0.00 43.42 44.13 2wxp n LEU 316 CO 0.00 0.00 1.01 4.11 -0.00 0.00 0.00 177.39 182.51 2wxp h TRP 317 N 0.00 0.00 0.00 1.47 5.08 -1.91 -3.14 115.95 117.45 2wxp h TRP 317 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2wxp h TRP 317 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2wxp h TRP 317 CO 0.00 0.00 0.00 0.77 -1.28 0.00 0.00 178.44 177.93 2wxp h SER 318 N 0.00 0.00 -3.56 0.11 0.02 -1.98 -3.44 113.55 104.70 2wxp h SER 318 Ca 0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 2wxp h SER 318 Cb 0.48 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.72 2wxp h SER 318 CO 0.00 0.00 -0.32 -0.76 -1.14 0.00 0.00 176.83 174.61 2wxp s LEU 319 N -5.09 5.75 0.24 5.07 1.43 -1.19 -4.91 118.68 119.98 2wxp s LEU 319 Ca 0.05 -2.24 0.24 0.00 -1.03 0.00 0.00 54.13 51.15 2wxp s LEU 319 Cb 0.09 -2.00 0.38 0.00 0.03 0.00 0.00 46.19 44.69 2wxp s LEU 319 CO 0.51 -0.60 1.44 -0.33 0.23 0.00 0.00 176.35 177.60 2wxp h GLU 320 N 8.03 0.00 -7.19 1.70 5.08 -1.92 0.40 114.58 120.68 2wxp h GLU 320 Ca -0.12 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.71 2wxp h GLU 320 Cb 1.04 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.45 2wxp h GLU 320 CO 0.81 0.00 0.37 1.14 -1.00 0.00 0.00 179.01 180.33 2wxp s GLN 321 N -3.21 2.07 0.56 2.33 0.00 -1.26 -4.47 119.66 115.68 2wxp s GLN 321 Ca 0.06 1.70 -0.21 0.00 -0.00 0.00 0.00 55.36 56.91 2wxp s GLN 321 Cb 0.10 -1.83 -0.04 0.00 0.00 0.00 0.00 33.01 31.24 2wxp s GLN 321 CO 0.69 -1.88 1.36 -2.30 0.00 0.00 0.00 175.29 173.17 2wxp n PRO 322 N -2.88 1.62 -2.66 9.60 -0.02 -1.26 -1.47 135.00 137.93 2wxp n PRO 322 Ca 0.13 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 2wxp n PRO 322 Cb 0.51 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 2wxp n PRO 322 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wxp s PHE 323 N -1.30 3.25 -0.07 6.00 5.36 -0.65 -4.71 117.98 125.86 2wxp s PHE 323 Ca 0.74 1.63 -0.31 0.00 -0.96 0.00 0.00 56.93 58.03 2wxp s PHE 323 Cb -0.41 -3.00 0.11 0.00 -0.34 0.00 0.00 43.02 39.39 2wxp s PHE 323 CO 0.48 -0.43 0.99 -1.54 -1.46 0.00 0.00 175.22 173.25 2wxp s SER 324 N -1.89 -0.30 0.03 6.13 1.04 -1.26 0.11 113.70 117.56 2wxp s SER 324 Ca 0.61 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.03 2wxp s SER 324 Cb -0.16 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 2wxp s SER 324 CO 0.20 -0.49 0.02 0.27 0.98 0.00 0.00 173.24 174.22 2wxp s ILE 325 N -2.81 0.14 -0.21 -1.02 -4.36 -0.40 -4.47 121.20 108.06 2wxp s ILE 325 Ca 0.06 -1.13 -0.21 0.00 -0.26 0.00 0.00 60.65 59.11 2wxp s ILE 325 Cb -0.01 -0.73 -0.02 0.00 1.25 0.00 0.00 42.46 42.94 2wxp s ILE 325 CO -0.07 -0.62 0.64 -0.70 0.24 0.00 0.00 174.94 174.42 2wxp s GLU 326 N -2.32 4.19 -0.41 0.37 2.12 -0.97 -0.20 118.70 121.47 2wxp s GLU 326 Ca -0.08 0.62 -0.25 0.00 0.36 0.00 0.00 54.97 55.62 2wxp s GLU 326 Cb -0.03 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.78 2wxp s GLU 326 CO -0.04 -0.30 0.87 -1.17 -0.54 0.00 0.00 175.26 174.09 2wxp s LEU 327 N 2.10 4.07 -0.08 2.70 2.96 -0.33 -0.28 118.68 129.82 2wxp s LEU 327 Ca 0.28 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2wxp s LEU 327 Cb -0.16 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 2wxp s LEU 327 CO 0.10 -0.90 -0.09 0.40 -1.32 0.00 0.00 176.35 174.54 2wxp h ILE 328 N 5.91 0.00 -2.59 6.68 2.04 -1.50 -0.12 117.51 127.93 2wxp h ILE 328 Ca -0.24 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 65.15 2wxp h ILE 328 Cb 1.08 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2wxp h ILE 328 CO 0.98 0.00 0.47 -1.83 0.00 0.00 0.00 178.15 177.76 2wxp s GLU 329 N -1.68 1.48 0.30 2.37 -1.05 -1.20 0.47 118.70 119.39 2wxp s GLU 329 Ca -0.08 -0.91 0.03 0.00 -0.15 0.00 0.00 54.97 53.86 2wxp s GLU 329 Cb 0.01 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.12 2wxp s GLU 329 CO 0.11 -0.69 0.30 0.20 0.95 0.00 0.00 175.26 176.13 2wxp s GLY 330 N -3.16 1.90 -0.31 -3.83 0.00 0.31 -1.96 107.32 100.27 2wxp s GLY 330 Ca 0.17 -1.83 0.18 0.00 0.00 0.00 0.00 44.72 43.23 2wxp s GLY 330 CO 0.06 -1.32 1.14 -0.96 0.00 0.00 0.00 173.10 172.01 2wxp n ARG 331 N -0.53 1.39 0.00 2.90 1.85 -1.13 -2.60 116.66 118.54 2wxp n ARG 331 Ca 0.05 -2.90 0.00 0.00 -1.00 0.00 0.00 57.85 54.00 2wxp n ARG 331 Cb 0.63 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 2wxp n ARG 331 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2wxp n LYS 332 N -0.51 2.62 -3.29 2.89 -0.00 -1.26 -4.57 118.16 114.04 2wxp n LYS 332 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.34 2wxp n LYS 332 Cb 0.82 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.82 2wxp n LYS 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wxp s VAL 333 N 0.00 -0.88 0.00 0.58 1.01 -1.26 -4.56 120.40 115.29 2wxp s VAL 333 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2wxp s VAL 333 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2wxp s VAL 333 CO 0.00 -0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.87 2wxp n ASN 334 N 5.41 0.00 0.00 3.32 5.15 -1.26 -5.10 115.26 122.78 2wxp n ASN 334 Ca -0.03 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 2wxp n ASN 334 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2wxp n ASN 334 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wxp n ALA 335 N -3.00 0.00 0.00 5.20 0.00 -1.26 -5.02 120.51 116.43 2wxp n ALA 335 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wxp n ALA 335 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wxp n ALA 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wxp n MET 339 N 0.00 0.00 -4.18 0.00 2.00 -1.26 -4.95 117.12 108.73 2wxp n MET 339 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 2wxp n MET 339 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 2wxp n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wxp s LYS 340 N -3.61 2.56 -0.04 0.03 3.01 -0.40 -0.36 119.74 120.92 2wxp s LYS 340 Ca 0.00 -1.10 -0.01 0.00 -1.01 0.00 0.00 55.97 53.85 2wxp s LYS 340 Cb 0.00 -2.42 -0.04 0.00 -1.01 0.00 0.00 37.83 34.37 2wxp s LYS 340 CO 0.00 0.44 0.04 -0.51 0.51 0.00 0.00 175.35 175.83 2wxp s LEU 341 N -3.21 3.73 0.06 3.17 1.43 0.21 -1.73 118.68 122.34 2wxp s LEU 341 Ca 0.29 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2wxp s LEU 341 Cb -0.09 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2wxp s LEU 341 CO 0.21 0.33 -0.08 -0.69 0.23 0.00 0.00 176.35 176.35 2wxp s VAL 342 N -1.04 0.60 -0.16 -1.59 1.01 -1.00 -2.72 120.40 115.50 2wxp s VAL 342 Ca 0.18 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.85 2wxp s VAL 342 Cb -0.12 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.36 2wxp s VAL 342 CO 0.08 -0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 173.77 2wxp s VAL 343 N -1.99 2.04 -0.16 2.92 1.01 -1.26 -2.51 120.40 120.46 2wxp s VAL 343 Ca -0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 2wxp s VAL 343 Cb -0.06 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2wxp s VAL 343 CO -0.01 0.54 0.16 -1.58 0.00 0.00 0.00 175.10 174.21 2wxp s GLN 344 N 1.10 3.89 -0.03 2.72 0.74 0.26 -0.19 119.66 128.16 2wxp s GLN 344 Ca 0.00 -0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.29 2wxp s GLN 344 Cb -0.14 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 30.66 2wxp s GLN 344 CO -0.08 0.50 -0.06 0.00 -0.55 0.00 0.00 175.29 175.09 2wxp s ALA 345 N -0.23 0.67 0.09 1.58 0.00 -0.28 -0.35 121.76 123.24 2wxp s ALA 345 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.92 2wxp s ALA 345 Cb -0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2wxp s ALA 345 CO 0.01 0.07 -0.07 0.20 0.00 0.00 0.00 175.76 175.97 2wxp s GLY 346 N 0.39 0.74 -0.14 0.00 0.00 -0.89 -0.45 107.32 106.96 2wxp s GLY 346 Ca -0.05 -1.21 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 2wxp s GLY 346 CO 0.00 -1.30 0.02 1.08 0.00 0.00 0.00 173.10 172.90 2wxp s LEU 347 N -2.65 3.59 0.07 0.66 1.43 -1.26 -1.38 118.68 119.14 2wxp s LEU 347 Ca 0.06 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2wxp s LEU 347 Cb 0.01 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2wxp s LEU 347 CO -0.03 0.24 -0.15 -0.36 0.23 0.00 0.00 176.35 176.29 2wxp s PHE 348 N -0.05 1.25 -0.44 0.29 0.08 -0.29 -1.34 117.98 117.47 2wxp s PHE 348 Ca 0.04 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.66 2wxp s PHE 348 Cb -0.13 -0.70 0.12 0.00 -0.57 0.00 0.00 43.02 41.75 2wxp s PHE 348 CO 0.02 0.07 0.20 -1.58 -0.10 0.00 0.00 175.22 173.82 2wxp s HIS 349 N -1.27 2.81 0.00 0.36 5.65 -0.38 -2.08 115.29 120.38 2wxp s HIS 349 Ca -0.01 -2.80 0.00 0.00 0.25 0.00 0.00 55.06 52.49 2wxp s HIS 349 Cb -0.10 -2.47 0.00 0.00 -1.18 0.00 0.00 32.58 28.83 2wxp s HIS 349 CO 0.02 -0.80 0.00 0.41 -0.65 0.00 0.00 174.74 173.72 2wxp n GLY 350 N 3.60 1.87 0.23 1.59 0.00 -1.26 -3.07 105.19 108.15 2wxp n GLY 350 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 2wxp n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wxp h ASN 351 N 1.68 0.77 -3.08 1.61 2.35 -1.90 -3.45 115.58 113.56 2wxp h ASN 351 Ca 0.00 -0.40 -0.55 0.00 -0.55 0.00 0.00 56.30 54.80 2wxp h ASN 351 Cb 0.00 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2wxp h ASN 351 CO 0.00 1.15 0.72 -1.61 -1.65 0.00 0.00 177.43 176.03 2wxp s GLU 352 N -4.11 4.34 0.47 0.81 8.01 -1.18 -5.03 118.70 122.02 2wxp s GLU 352 Ca -0.09 1.64 -0.25 0.00 0.01 0.00 0.00 54.97 56.29 2wxp s GLU 352 Cb 0.11 -3.58 -0.08 0.00 -4.31 0.00 0.00 34.13 26.27 2wxp s GLU 352 CO 0.86 -0.47 1.43 -1.64 0.01 0.00 0.00 175.26 175.45 2wxp s MET 353 N 2.37 3.56 0.11 1.61 -1.94 -1.26 -1.25 119.30 122.51 2wxp s MET 353 Ca 0.55 2.42 0.23 0.00 -1.71 0.00 0.00 55.69 57.17 2wxp s MET 353 Cb -0.24 -2.58 0.11 0.00 2.01 0.00 0.00 34.83 34.13 2wxp s MET 353 CO 0.20 -0.91 1.10 1.28 -0.01 0.00 0.00 175.02 176.68 2wxp n LEU 354 N -0.36 0.68 -3.71 -0.03 4.77 -0.45 -4.85 117.00 113.04 2wxp n LEU 354 Ca 0.06 0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.18 2wxp n LEU 354 Cb 0.42 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2wxp n LEU 354 CO 0.58 -0.06 0.78 0.00 -1.33 0.00 0.00 177.39 177.36 2wxp n LYS 356 N -0.46 0.13 -1.48 0.00 0.00 -1.26 -4.60 118.16 110.49 2wxp n LYS 356 Ca -0.07 0.10 -0.31 0.00 -0.00 0.00 0.00 58.31 58.03 2wxp n LYS 356 Cb 0.61 -2.03 0.06 0.00 -0.00 0.00 0.00 35.03 33.67 2wxp n LYS 356 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2wxp s THR 357 N -2.08 3.67 0.03 0.58 -4.23 -1.26 -4.77 115.64 107.57 2wxp s THR 357 Ca 0.66 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 61.79 2wxp s THR 357 Cb -0.30 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 2wxp s THR 357 CO 0.58 -0.68 -0.14 0.68 -0.54 0.00 0.00 174.62 174.52 2wxp s VAL 358 N -2.90 1.12 0.23 2.29 -7.23 0.41 -5.00 120.40 109.32 2wxp s VAL 358 Ca 0.60 -0.89 0.08 0.00 -1.81 0.00 0.00 61.98 59.96 2wxp s VAL 358 Cb -0.16 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 2wxp s VAL 358 CO 0.53 0.09 0.08 -0.44 -0.31 0.00 0.00 175.10 175.05 2wxp s SER 359 N -0.91 5.02 0.90 4.85 0.01 -1.26 -1.12 113.70 121.19 2wxp s SER 359 Ca 0.03 -0.41 -0.14 0.00 1.31 0.00 0.00 55.95 56.74 2wxp s SER 359 Cb -0.07 -1.13 0.14 0.00 0.21 0.00 0.00 66.02 65.17 2wxp s SER 359 CO 0.01 0.01 1.22 -0.55 0.41 0.00 0.00 173.24 174.34 2wxp s SER 360 N -3.53 3.62 0.42 2.44 0.15 0.73 -4.97 113.70 112.56 2wxp s SER 360 Ca 0.31 0.63 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 2wxp s SER 360 Cb -0.08 -0.98 -0.06 0.00 -1.71 0.00 0.00 66.02 63.20 2wxp s SER 360 CO 0.22 -2.45 0.78 -0.94 1.20 0.00 0.00 173.24 172.04 2wxp s SER 361 N -4.53 6.48 -0.11 5.45 1.04 -1.26 -4.79 113.70 115.97 2wxp s SER 361 Ca 0.67 1.11 -0.30 0.00 0.48 0.00 0.00 55.95 57.91 2wxp s SER 361 Cb -0.09 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 2wxp s SER 361 CO 0.52 -0.43 1.03 -1.61 0.98 0.00 0.00 173.24 173.72 2wxp s GLU 362 N -3.99 4.40 -0.03 4.02 2.02 -1.26 -4.67 118.70 119.19 2wxp s GLU 362 Ca 0.51 1.42 0.03 0.00 0.02 0.00 0.00 54.97 56.95 2wxp s GLU 362 Cb -0.10 -3.55 -0.00 0.00 0.10 0.00 0.00 34.13 30.57 2wxp s GLU 362 CO 0.33 -0.35 -0.12 0.08 0.02 0.00 0.00 175.26 175.22 2wxp s VAL 363 N 2.12 1.04 0.63 2.63 1.01 -1.10 -4.95 120.40 121.77 2wxp s VAL 363 Ca 0.49 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 2wxp s VAL 363 Cb -0.19 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 2wxp s VAL 363 CO 0.17 0.31 0.66 0.59 0.00 0.00 0.00 175.10 176.83 2wxp n ASN 364 N 3.14 -0.55 0.00 3.32 3.02 -1.26 0.66 115.26 123.59 2wxp n ASN 364 Ca -0.17 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 2wxp n ASN 364 Cb 0.54 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2wxp n ASN 364 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wxp n VAL 365 N -1.94 0.00 -0.32 2.41 0.31 0.51 -4.56 118.33 114.75 2wxp n VAL 365 Ca 0.12 0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 64.81 2wxp n VAL 365 Cb 0.48 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 2wxp n VAL 365 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wxp n SER 367 N 1.01 0.00 -3.38 0.00 7.64 -1.26 -2.75 113.62 114.88 2wxp n SER 367 Ca 0.08 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.74 2wxp n SER 367 Cb -0.01 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.26 2wxp n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wxp n GLU 368 N 4.27 -7.42 -1.75 1.43 4.07 -1.26 -4.65 120.64 115.34 2wxp n GLU 368 Ca 0.00 0.77 -0.32 0.00 -0.06 0.00 0.00 57.16 57.55 2wxp n GLU 368 Cb 0.00 -5.65 0.04 0.00 -0.06 0.00 0.00 31.44 25.77 2wxp n GLU 368 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wxp s PRO 369 N -6.20 2.96 0.01 5.31 0.04 -1.07 -4.74 135.00 131.30 2wxp s PRO 369 Ca 0.53 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2wxp s PRO 369 Cb -0.24 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2wxp s PRO 369 CO 0.68 -1.10 -0.18 0.08 0.04 0.00 0.00 177.00 176.52 2wxp s VAL 370 N -2.64 1.40 0.00 -0.36 1.01 -1.26 -0.53 120.40 118.02 2wxp s VAL 370 Ca 0.63 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2wxp s VAL 370 Cb -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2wxp s VAL 370 CO 0.45 0.26 0.00 0.79 0.00 0.00 0.00 175.10 176.60 2wxp n TRP 371 N 2.28 0.00 -3.27 5.22 8.01 0.18 -4.94 117.44 124.91 2wxp n TRP 371 Ca -0.16 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.92 2wxp n TRP 371 Cb 0.54 0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.91 2wxp n TRP 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2wxp n LYS 372 N -2.48 -0.61 -4.47 -0.99 5.02 -0.12 -4.95 118.16 109.56 2wxp n LYS 372 Ca 0.00 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2wxp n LYS 372 Cb 0.35 -0.52 -0.14 0.00 -0.02 0.00 0.00 35.03 34.69 2wxp n LYS 372 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wxp s GLN 373 N -4.04 0.98 0.04 1.97 -1.52 -0.85 -4.97 119.66 111.27 2wxp s GLN 373 Ca 0.06 -0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 2wxp s GLN 373 Cb -0.03 -0.96 -0.05 0.00 -0.22 0.00 0.00 33.01 31.75 2wxp s GLN 373 CO 0.31 0.25 1.09 1.03 -0.25 0.00 0.00 175.29 177.72 2wxp s ARG 374 N -0.68 4.50 -0.28 2.91 1.81 -1.26 -1.19 118.95 124.76 2wxp s ARG 374 Ca 0.03 1.60 -0.07 0.00 -1.72 0.00 0.00 55.73 55.58 2wxp s ARG 374 Cb -0.06 -3.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.04 2wxp s ARG 374 CO 0.00 -0.14 0.07 -0.51 -0.68 0.00 0.00 175.30 174.05 2wxp s LEU 375 N 0.94 3.73 -0.14 2.53 1.43 0.72 -4.96 118.68 122.93 2wxp s LEU 375 Ca 0.55 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2wxp s LEU 375 Cb -0.25 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2wxp s LEU 375 CO 0.29 -0.16 0.04 -0.70 0.23 0.00 0.00 176.35 176.05 2wxp s GLU 376 N 1.52 3.60 -0.05 1.70 2.12 -1.26 -1.28 118.70 125.04 2wxp s GLU 376 Ca 0.03 -0.36 -0.05 0.00 0.36 0.00 0.00 54.97 54.95 2wxp s GLU 376 Cb -0.17 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2wxp s GLU 376 CO 0.02 0.45 0.18 -0.06 -0.54 0.00 0.00 175.26 175.31 2wxp s PHE 377 N -0.14 3.58 -1.25 5.30 0.08 0.30 -4.98 117.98 120.86 2wxp s PHE 377 Ca 0.06 0.48 -0.06 0.00 0.12 0.00 0.00 56.93 57.54 2wxp s PHE 377 Cb -0.12 -1.91 0.09 0.00 -0.57 0.00 0.00 43.02 40.50 2wxp s PHE 377 CO 0.02 0.68 2.50 -3.47 -0.10 0.00 0.00 175.22 174.84 2wxp n ASP 378 N 1.44 7.95 -3.53 1.36 2.03 -1.26 -3.84 116.55 120.70 2wxp n ASP 378 Ca -0.15 -3.08 -0.18 0.00 0.52 0.00 0.00 54.79 51.90 2wxp n ASP 378 Cb 0.54 -1.37 -0.06 0.00 -0.72 0.00 0.00 41.12 39.51 2wxp n ASP 378 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wxp s ILE 379 N -0.91 0.00 0.29 5.18 2.07 -1.26 -4.77 121.20 121.80 2wxp s ILE 379 Ca 0.56 -0.01 -0.17 0.00 -1.41 0.00 0.00 60.65 59.62 2wxp s ILE 379 Cb 0.20 -0.99 -0.09 0.00 0.13 0.00 0.00 42.46 41.72 2wxp s ILE 379 CO -0.10 -0.01 0.74 -0.55 -1.91 0.00 0.00 174.94 173.11 2wxp s SER 380 N -1.22 6.87 0.42 4.50 0.15 -1.26 -1.64 113.70 121.52 2wxp s SER 380 Ca -0.11 1.34 0.12 0.00 0.70 0.00 0.00 55.95 58.00 2wxp s SER 380 Cb -0.00 -2.39 0.89 0.00 -1.71 0.00 0.00 66.02 62.81 2wxp s SER 380 CO 0.09 -0.13 1.96 0.58 1.20 0.00 0.00 173.24 176.94 2wxp h VAL 381 N 2.22 1.15 0.00 4.45 2.07 -1.16 -1.48 116.25 123.50 2wxp h VAL 381 Ca -0.48 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2wxp h VAL 381 Cb 1.18 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2wxp h VAL 381 CO 0.65 0.20 0.00 0.00 0.02 0.00 0.00 177.57 178.45 2wxp n ASP 383 N -1.42 2.96 -4.63 0.00 10.43 -0.56 -4.66 116.55 118.67 2wxp n ASP 383 Ca 0.07 -1.91 -0.43 0.00 2.57 0.00 0.00 54.79 55.09 2wxp n ASP 383 Cb 0.22 -0.08 -0.02 0.00 1.84 0.00 0.00 41.12 43.08 2wxp n ASP 383 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wxp s LEU 384 N -1.64 3.90 0.95 0.64 1.43 -1.19 -4.22 118.68 118.53 2wxp s LEU 384 Ca 0.28 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 2wxp s LEU 384 Cb 0.19 -3.53 0.16 0.00 0.03 0.00 0.00 46.19 43.03 2wxp s LEU 384 CO 0.27 -1.24 1.09 -2.16 0.23 0.00 0.00 176.35 174.54 2wxp s PRO 385 N 4.63 0.84 0.50 1.29 0.04 -1.26 -4.88 135.00 136.15 2wxp s PRO 385 Ca 0.70 0.89 0.24 0.00 0.04 0.00 0.00 61.00 62.87 2wxp s PRO 385 Cb -0.24 -1.76 1.31 0.00 0.04 0.00 0.00 34.50 33.86 2wxp s PRO 385 CO 0.29 -2.55 1.95 -0.09 0.04 0.00 0.00 177.00 176.64 2wxp h ARG 386 N -1.77 0.12 -0.58 4.56 9.65 -1.95 -1.20 114.38 123.20 2wxp h ARG 386 Ca -0.51 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.18 2wxp h ARG 386 Cb 1.29 -0.03 -0.11 0.00 -1.39 0.00 0.00 29.97 29.74 2wxp h ARG 386 CO 0.53 0.08 0.17 -1.33 2.80 0.00 0.00 179.97 182.22 2wxp n MET 387 N -4.39 3.14 -1.75 0.20 2.81 -1.26 -4.64 117.12 111.23 2wxp n MET 387 Ca 0.13 -3.06 -0.42 0.00 -1.81 0.00 0.00 57.70 52.55 2wxp n MET 387 Cb 0.67 -2.07 -0.03 0.00 -0.71 0.00 0.00 33.22 31.08 2wxp n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxp s ALA 388 N -3.03 3.91 -0.19 3.04 0.00 -0.46 -4.80 121.76 120.24 2wxp s ALA 388 Ca 0.51 1.56 0.01 0.00 0.00 0.00 0.00 51.96 54.03 2wxp s ALA 388 Cb 0.42 -3.69 0.03 0.00 0.00 0.00 0.00 23.12 19.87 2wxp s ALA 388 CO 0.10 -0.93 -0.18 0.50 0.00 0.00 0.00 175.76 175.25 2wxp s ARG 389 N 1.29 2.80 -0.32 0.00 3.52 -0.88 -1.50 118.95 123.87 2wxp s ARG 389 Ca 0.75 -0.86 -0.15 0.00 -0.13 0.00 0.00 55.73 55.33 2wxp s ARG 389 Cb -0.49 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 2wxp s ARG 389 CO 0.32 -0.26 0.39 -1.17 -0.81 0.00 0.00 175.30 173.77 2wxp s LEU 390 N 1.29 4.27 -0.10 -0.88 2.96 0.21 -1.14 118.68 125.28 2wxp s LEU 390 Ca 0.03 -0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 2wxp s LEU 390 Cb -0.14 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 2wxp s LEU 390 CO -0.12 -0.30 0.00 0.00 -1.32 0.00 0.00 176.35 174.62 2wxp s PHE 392 N -0.63 2.11 -0.03 0.00 0.08 0.54 -2.10 117.98 117.94 2wxp s PHE 392 Ca 0.10 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.78 2wxp s PHE 392 Cb -0.12 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2wxp s PHE 392 CO 0.02 0.15 -0.10 0.00 -0.10 0.00 0.00 175.22 175.19 2wxp s ALA 393 N -0.86 0.93 -0.17 5.36 0.00 0.52 -1.85 121.76 125.69 2wxp s ALA 393 Ca 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 2wxp s ALA 393 Cb -0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 2wxp s ALA 393 CO 0.03 0.15 -0.13 -1.17 0.00 0.00 0.00 175.76 174.63 2wxp s LEU 394 N 0.22 2.56 0.00 0.00 2.96 -0.32 -0.57 118.68 123.53 2wxp s LEU 394 Ca -0.04 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2wxp s LEU 394 Cb -0.09 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 2wxp s LEU 394 CO 0.01 0.06 0.21 0.00 -1.32 0.00 0.00 176.35 175.30 2wxp n TYR 395 N 4.25 -0.61 -4.27 5.38 0.18 -1.04 -2.06 117.16 118.99 2wxp n TYR 395 Ca -0.19 -1.85 -0.21 0.00 1.88 0.00 0.00 57.90 57.53 2wxp n TYR 395 Cb 0.51 0.22 -0.12 0.00 -0.38 0.00 0.00 39.34 39.57 2wxp n TYR 395 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wxp s ALA 396 N -2.85 1.40 0.13 -3.48 0.00 0.17 -2.38 121.76 114.75 2wxp s ALA 396 Ca 0.26 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 2wxp s ALA 396 Cb 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2wxp s ALA 396 CO 0.18 0.25 0.37 0.54 0.00 0.00 0.00 175.76 177.10 2wxp s VAL 397 N -1.14 0.08 0.32 0.00 0.11 -0.70 -1.49 120.40 117.58 2wxp s VAL 397 Ca 0.02 -0.79 0.08 0.00 -2.93 0.00 0.00 61.98 58.37 2wxp s VAL 397 Cb -0.10 -1.32 0.07 0.00 -1.53 0.00 0.00 36.38 33.51 2wxp s VAL 397 CO 0.03 -0.35 1.76 0.58 -3.33 0.00 0.00 175.10 173.79 2wxp h VAL 398 N 2.43 1.28 -3.88 2.04 2.07 -1.96 -1.06 116.25 117.17 2wxp h VAL 398 Ca -0.33 -1.36 -0.69 0.00 0.82 0.00 0.00 66.70 65.14 2wxp h VAL 398 Cb 1.24 1.62 -0.30 0.00 -1.52 0.00 0.00 31.29 32.33 2wxp h VAL 398 CO 0.47 0.41 -0.86 -1.81 0.02 0.00 0.00 177.57 175.80 2wxp s ASP 415 N -6.89 3.29 -0.32 0.57 -0.00 -1.26 -4.76 116.67 107.29 2wxp s ASP 415 Ca -0.04 -0.46 -0.02 0.00 -0.00 0.00 0.00 52.55 52.03 2wxp s ASP 415 Cb 0.14 -0.98 0.12 0.00 -0.00 0.00 0.00 42.92 42.20 2wxp s ASP 415 CO 0.76 0.24 0.17 0.00 -0.00 0.00 0.00 175.17 176.33 2wxp s PRO 417 N 1.58 4.27 -0.02 0.00 0.02 -1.26 -0.66 135.00 138.93 2wxp s PRO 417 Ca 0.13 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 2wxp s PRO 417 Cb -0.19 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 2wxp s PRO 417 CO -0.18 -0.37 -0.03 -0.89 -0.33 0.00 0.00 177.00 175.20 2wxp n ILE 418 N 1.60 0.12 -3.50 2.83 5.41 -0.87 -4.74 119.36 120.21 2wxp n ILE 418 Ca 0.04 -0.03 -0.09 0.00 1.00 0.00 0.00 62.75 63.67 2wxp n ILE 418 Cb 0.40 -1.35 -0.02 0.00 -0.71 0.00 0.00 39.64 37.96 2wxp n ILE 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wxp s ALA 419 N -2.04 -1.81 0.12 -1.39 0.00 -0.92 -2.06 121.76 113.67 2wxp s ALA 419 Ca -0.03 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 2wxp s ALA 419 Cb 0.01 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2wxp s ALA 419 CO 0.04 -0.69 0.12 1.67 0.00 0.00 0.00 175.76 176.90 2wxp s TRP 420 N -3.17 0.56 -0.28 0.00 1.48 -0.20 -1.18 118.94 116.16 2wxp s TRP 420 Ca 0.05 -0.97 -0.25 0.00 -1.06 0.00 0.00 56.10 53.87 2wxp s TRP 420 Cb -0.01 -0.28 0.11 0.00 -1.16 0.00 0.00 33.47 32.13 2wxp s TRP 420 CO -0.09 -0.55 0.97 0.00 -4.06 0.00 0.00 176.95 173.21 2wxp s ALA 421 N -3.97 -1.93 0.06 2.67 0.00 -0.77 -1.40 121.76 116.41 2wxp s ALA 421 Ca 0.16 1.90 0.05 0.00 0.00 0.00 0.00 51.96 54.07 2wxp s ALA 421 Cb 0.06 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2wxp s ALA 421 CO -0.03 -0.26 -0.15 -0.80 0.00 0.00 0.00 175.76 174.52 2wxp s ASN 422 N 0.24 1.76 0.03 0.00 0.01 -1.26 -0.34 114.94 115.38 2wxp s ASN 422 Ca 0.02 -0.55 -0.04 0.00 -0.71 0.00 0.00 52.86 51.59 2wxp s ASN 422 Cb -0.05 -0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.51 2wxp s ASN 422 CO -0.05 -0.01 0.05 -1.48 -1.51 0.00 0.00 177.10 174.10 2wxp s LEU 423 N -1.46 2.00 0.36 0.60 0.05 -0.68 -4.32 118.68 115.22 2wxp s LEU 423 Ca 0.01 -0.58 -0.25 0.00 0.05 0.00 0.00 54.13 53.36 2wxp s LEU 423 Cb -0.09 0.42 -0.10 0.00 -2.05 0.00 0.00 46.19 44.38 2wxp s LEU 423 CO 0.02 -0.47 0.97 -0.04 -0.55 0.00 0.00 176.35 176.29 2wxp s MET 424 N -2.49 4.41 0.23 1.48 -1.94 -1.26 -0.62 119.30 119.11 2wxp s MET 424 Ca -0.06 1.34 0.16 0.00 -1.71 0.00 0.00 55.69 55.42 2wxp s MET 424 Cb -0.02 -2.62 0.03 0.00 2.01 0.00 0.00 34.83 34.23 2wxp s MET 424 CO -0.04 0.11 1.29 -0.07 -0.01 0.00 0.00 175.02 176.30 2wxp h LEU 425 N 2.77 0.00 -9.24 -0.03 3.38 -1.61 -3.43 115.31 107.15 2wxp h LEU 425 Ca -0.48 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.82 2wxp h LEU 425 Cb 1.20 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.79 2wxp h LEU 425 CO 0.64 0.46 -0.63 -0.36 0.09 0.00 0.00 178.44 178.64 2wxp s PHE 426 N -2.99 3.13 0.52 1.13 0.08 -1.26 -1.06 117.98 117.54 2wxp s PHE 426 Ca 0.02 0.15 -0.09 0.00 0.12 0.00 0.00 56.93 57.13 2wxp s PHE 426 Cb 0.08 -1.80 0.13 0.00 -0.57 0.00 0.00 43.02 40.86 2wxp s PHE 426 CO 0.76 0.42 0.50 -0.40 -0.10 0.00 0.00 175.22 176.40 2wxp n ASP 427 N 2.26 -1.23 0.12 1.36 5.75 -0.54 -4.89 116.55 119.39 2wxp n ASP 427 Ca -0.18 -0.86 0.12 0.00 -0.01 0.00 0.00 54.79 53.85 2wxp n ASP 427 Cb 0.53 -0.45 0.47 0.00 -1.03 0.00 0.00 41.12 40.65 2wxp n ASP 427 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wxp n TYR 428 N -3.42 0.84 -0.71 2.11 4.11 -1.26 -2.35 117.16 116.48 2wxp n TYR 428 Ca 0.07 0.30 0.05 0.00 -0.00 0.00 0.00 57.90 58.33 2wxp n TYR 428 Cb 0.26 -0.99 0.36 0.00 -0.00 0.00 0.00 39.34 38.97 2wxp n TYR 428 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wxp n LYS 429 N -2.24 4.44 -0.62 -3.48 4.76 -1.26 -4.92 118.16 114.84 2wxp n LYS 429 Ca 0.03 -2.83 0.00 0.00 -2.87 0.00 0.00 58.31 52.65 2wxp n LYS 429 Cb 0.29 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 2wxp n LYS 429 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wxp n ASP 430 N 0.51 0.00 -4.72 4.39 8.00 -0.99 -4.94 116.55 118.80 2wxp n ASP 430 Ca 0.26 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.34 2wxp n ASP 430 Cb 1.12 -0.97 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 2wxp n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wxp s GLN 431 N -0.33 4.63 0.42 -1.24 0.74 -1.26 -1.92 119.66 120.69 2wxp s GLN 431 Ca 0.00 1.51 -0.26 0.00 0.05 0.00 0.00 55.36 56.66 2wxp s GLN 431 Cb 0.00 -3.38 -0.09 0.00 1.10 0.00 0.00 33.01 30.64 2wxp s GLN 431 CO 0.00 0.09 1.41 -1.17 -0.55 0.00 0.00 175.29 175.06 2wxp s LEU 432 N 0.27 4.20 0.08 3.68 2.96 -0.55 -1.46 118.68 127.86 2wxp s LEU 432 Ca 0.50 2.88 -0.23 0.00 -0.22 0.00 0.00 54.13 57.05 2wxp s LEU 432 Cb -0.24 -3.85 -0.07 0.00 0.50 0.00 0.00 46.19 42.54 2wxp s LEU 432 CO 0.30 -0.99 0.70 -0.54 -1.32 0.00 0.00 176.35 174.50 2wxp s LYS 433 N -2.28 4.43 0.15 1.98 1.02 -0.22 -4.81 119.74 120.01 2wxp s LYS 433 Ca 0.57 0.97 -0.20 0.00 0.02 0.00 0.00 55.97 57.34 2wxp s LYS 433 Cb -0.43 -3.30 0.05 0.00 -0.52 0.00 0.00 37.83 33.63 2wxp s LYS 433 CO 0.56 0.47 0.52 0.95 -0.92 0.00 0.00 175.35 176.93 2wxp s THR 434 N -0.65 0.03 0.00 2.17 -4.23 -1.26 -4.71 115.64 106.98 2wxp s THR 434 Ca 0.34 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2wxp s THR 434 Cb -0.21 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.49 2wxp s THR 434 CO 0.22 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2wxp n GLY 435 N -0.32 -0.20 3.72 3.99 0.00 -1.25 -5.01 105.19 106.12 2wxp n GLY 435 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2wxp n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wxp s GLU 436 N -0.78 4.60 0.08 1.61 2.12 -1.26 0.19 118.70 125.27 2wxp s GLU 436 Ca 0.00 1.53 0.08 0.00 0.36 0.00 0.00 54.97 56.94 2wxp s GLU 436 Cb 0.00 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2wxp s GLU 436 CO 0.00 0.04 -0.21 1.03 -0.54 0.00 0.00 175.26 175.58 2wxp s ARG 437 N 0.41 1.23 -0.19 4.30 3.00 -0.25 -4.95 118.95 122.50 2wxp s ARG 437 Ca 0.51 -1.10 -0.03 0.00 0.00 0.00 0.00 55.73 55.11 2wxp s ARG 437 Cb -0.24 -1.46 -0.01 0.00 0.00 0.00 0.00 34.95 33.23 2wxp s ARG 437 CO 0.30 0.35 -0.06 0.00 0.00 0.00 0.00 175.30 175.89 2wxp s LEU 439 N 0.98 3.92 -0.34 0.00 1.43 0.65 -4.88 118.68 120.44 2wxp s LEU 439 Ca -0.00 -1.39 -0.24 0.00 -1.03 0.00 0.00 54.13 51.46 2wxp s LEU 439 Cb -0.15 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2wxp s LEU 439 CO 0.00 -0.27 0.83 -0.31 0.23 0.00 0.00 176.35 176.84 2wxp s TYR 440 N 1.19 3.13 0.21 0.29 2.02 -1.26 0.27 117.35 123.21 2wxp s TYR 440 Ca -0.05 0.72 -0.07 0.00 -0.37 0.00 0.00 57.07 57.31 2wxp s TYR 440 Cb -0.20 -3.42 -0.06 0.00 -0.40 0.00 0.00 41.96 37.88 2wxp s TYR 440 CO -0.03 -0.71 0.49 -1.64 -1.57 0.00 0.00 175.55 172.09 2wxp s MET 441 N 3.17 3.70 -0.01 -0.62 -1.94 0.17 -0.26 119.30 123.52 2wxp s MET 441 Ca 0.34 0.08 -0.11 0.00 -1.71 0.00 0.00 55.69 54.29 2wxp s MET 441 Cb -0.13 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 2wxp s MET 441 CO 0.16 0.35 0.34 -1.58 -0.01 0.00 0.00 175.02 174.28 2wxp s TRP 442 N -1.82 3.66 0.37 -0.03 0.52 -0.49 -4.35 118.94 116.80 2wxp s TRP 442 Ca 0.44 0.82 -0.23 0.00 0.02 0.00 0.00 56.10 57.15 2wxp s TRP 442 Cb -0.11 -2.16 -0.10 0.00 -1.15 0.00 0.00 33.47 29.94 2wxp s TRP 442 CO 0.24 0.63 0.94 -1.25 0.02 0.00 0.00 176.95 177.54 2wxp s PRO 443 N -1.32 4.40 0.42 4.98 0.05 -1.26 -1.03 135.00 141.24 2wxp s PRO 443 Ca 0.24 1.21 -0.08 0.00 0.05 0.00 0.00 61.00 62.42 2wxp s PRO 443 Cb -0.15 -2.50 -0.05 0.00 0.05 0.00 0.00 34.50 31.85 2wxp s PRO 443 CO 0.13 0.13 0.76 -1.12 0.05 0.00 0.00 177.00 176.95 2wxp s SER 444 N -1.90 6.43 0.00 6.66 0.01 -0.87 -4.87 113.70 119.15 2wxp s SER 444 Ca 0.56 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2wxp s SER 444 Cb -0.14 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2wxp s SER 444 CO 0.18 -0.45 0.15 0.55 0.41 0.00 0.00 173.24 174.09 2wxp n VAL 445 N -1.60 0.00 -0.06 3.43 3.14 -1.26 -4.95 118.33 117.03 2wxp n VAL 445 Ca 0.02 0.32 -0.10 0.00 -2.96 0.00 0.00 64.34 61.62 2wxp n VAL 445 Cb 0.54 -0.50 -0.05 0.00 -1.06 0.00 0.00 33.84 32.77 2wxp n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wxp n LEU 452 N -0.58 2.28 -4.76 6.55 7.99 -1.26 -5.20 117.00 122.02 2wxp n LEU 452 Ca 0.00 0.01 -0.40 0.00 -0.01 0.00 0.00 56.01 55.61 2wxp n LEU 452 Cb 0.00 -0.40 -0.06 0.00 -0.11 0.00 0.00 43.42 42.86 2wxp n LEU 452 CO 0.00 0.55 0.50 -0.76 -1.51 0.00 0.00 177.39 176.17 2wxp s LEU 453 N -6.02 4.56 -0.56 2.23 1.02 -1.26 -4.66 118.68 113.99 2wxp s LEU 453 Ca -0.16 1.62 0.07 0.00 0.02 0.00 0.00 54.13 55.68 2wxp s LEU 453 Cb 0.05 -3.32 0.30 0.00 0.02 0.00 0.00 46.19 43.24 2wxp s LEU 453 CO 0.25 0.14 0.80 -3.20 0.02 0.00 0.00 176.35 174.37 2wxp n ASN 454 N 1.96 3.32 -0.24 2.29 5.15 -1.26 -4.94 115.26 121.53 2wxp n ASN 454 Ca -0.04 -3.41 0.17 0.00 -0.60 0.00 0.00 54.58 50.70 2wxp n ASN 454 Cb 0.49 -0.62 0.48 0.00 -0.53 0.00 0.00 39.78 39.61 2wxp n ASN 454 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wxp h PRO 455 N 3.53 0.45 0.00 1.20 0.13 -1.96 -0.12 132.00 135.23 2wxp h PRO 455 Ca 0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2wxp h PRO 455 Cb 0.66 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2wxp h PRO 455 CO 0.75 0.30 0.00 0.00 -0.23 0.00 0.00 178.00 178.82 2wxp n ALA 456 N -2.50 1.98 -1.07 -0.56 0.00 -1.26 -4.85 120.51 112.25 2wxp n ALA 456 Ca 0.18 0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.33 2wxp n ALA 456 Cb 0.63 -1.43 0.12 0.00 0.00 0.00 0.00 19.45 18.77 2wxp n ALA 456 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wxp s GLY 457 N -3.53 1.76 0.70 0.00 0.00 -0.06 -4.88 107.32 101.31 2wxp s GLY 457 Ca 0.08 0.46 -0.16 0.00 0.00 0.00 0.00 44.72 45.09 2wxp s GLY 457 CO 0.49 0.84 0.82 -0.37 0.00 0.00 0.00 173.10 174.88 2wxp n THR 458 N -3.66 2.63 -1.06 0.90 5.66 -1.26 -4.91 114.28 112.57 2wxp n THR 458 Ca 0.11 -0.40 -0.04 0.00 -3.05 0.00 0.00 64.05 60.66 2wxp n THR 458 Cb 0.52 -0.98 0.31 0.00 -1.55 0.00 0.00 70.33 68.63 2wxp n THR 458 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2wxp n VAL 459 N -2.33 2.86 -4.91 1.08 0.24 -1.26 -4.23 118.33 109.79 2wxp n VAL 459 Ca 0.12 -1.70 -0.30 0.00 -2.04 0.00 0.00 64.34 60.41 2wxp n VAL 459 Cb 0.49 -0.34 -0.14 0.00 -1.47 0.00 0.00 33.84 32.38 2wxp n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wxp s ARG 460 N -2.98 1.92 0.95 7.34 3.52 -1.26 -4.67 118.95 123.76 2wxp s ARG 460 Ca 0.54 -1.05 -0.12 0.00 -0.13 0.00 0.00 55.73 54.97 2wxp s ARG 460 Cb 0.43 -2.05 0.16 0.00 -1.56 0.00 0.00 34.95 31.93 2wxp s ARG 460 CO 0.13 0.53 1.09 0.20 -0.81 0.00 0.00 175.30 176.43 2wxp s GLY 461 N -1.18 1.61 0.16 8.12 0.00 -1.26 -4.94 107.32 109.83 2wxp s GLY 461 Ca 0.12 -0.06 -0.32 0.00 0.00 0.00 0.00 44.72 44.46 2wxp s GLY 461 CO 0.02 0.47 1.68 0.21 0.00 0.00 0.00 173.10 175.48 2wxp s ASN 462 N -3.25 6.49 0.40 1.64 3.84 0.64 -4.94 114.94 119.76 2wxp s ASN 462 Ca 0.65 2.71 0.21 0.00 0.21 0.00 0.00 52.86 56.64 2wxp s ASN 462 Cb -0.19 -2.59 0.73 0.00 -0.55 0.00 0.00 41.25 38.65 2wxp s ASN 462 CO 0.58 -0.91 1.75 1.55 -2.79 0.00 0.00 177.10 177.27 2wxp h PRO 463 N 7.29 0.00 -3.96 0.43 0.13 -1.90 -3.37 132.00 130.63 2wxp h PRO 463 Ca -0.43 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.00 2wxp h PRO 463 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2wxp h PRO 463 CO 0.94 0.31 3.10 -1.71 -0.23 0.00 0.00 178.00 180.41 2wxp n ASN 464 N -3.43 4.15 0.28 1.44 2.85 -1.26 -4.67 115.26 114.62 2wxp n ASN 464 Ca 0.00 -2.79 0.17 0.00 -0.11 0.00 0.00 54.58 51.85 2wxp n ASN 464 Cb 0.49 -1.58 0.72 0.00 1.24 0.00 0.00 39.78 40.65 2wxp n ASN 464 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2wxp h THR 465 N 3.96 0.08 -0.55 -0.44 1.35 -1.92 0.18 112.91 115.56 2wxp h THR 465 Ca 0.58 -0.52 0.07 0.00 -0.55 0.00 0.00 66.41 65.99 2wxp h THR 465 Cb 0.61 1.48 -0.06 0.00 -1.73 0.00 0.00 68.15 68.45 2wxp h THR 465 CO 1.88 0.03 0.23 -0.08 -0.25 0.00 0.00 175.52 177.33 2wxp h GLU 466 N 0.00 0.42 0.00 4.72 4.81 -1.96 -3.35 114.58 119.22 2wxp h GLU 466 Ca -0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2wxp h GLU 466 Cb 0.48 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2wxp h GLU 466 CO 0.00 0.28 -1.43 0.45 -0.73 0.00 0.00 179.01 177.58 2wxp n SER 467 N -4.96 3.16 -4.74 1.04 2.88 -1.09 -5.02 113.62 104.89 2wxp n SER 467 Ca 0.07 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.18 2wxp n SER 467 Cb 0.21 1.07 -0.02 0.00 -0.75 0.00 0.00 64.21 64.73 2wxp n SER 467 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxp n ALA 468 N -2.00 2.30 -1.68 -1.46 0.00 0.03 -4.94 120.51 112.76 2wxp n ALA 468 Ca -0.06 0.37 -0.45 0.00 0.00 0.00 0.00 53.44 53.30 2wxp n ALA 468 Cb 0.44 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 2wxp n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxp n ALA 469 N 1.91 1.54 -2.61 0.00 0.00 -1.26 -4.80 120.51 115.29 2wxp n ALA 469 Ca 0.08 0.43 -0.28 0.00 0.00 0.00 0.00 53.44 53.68 2wxp n ALA 469 Cb 0.36 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.36 2wxp n ALA 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxp s ALA 470 N 0.71 3.04 -0.07 0.00 0.00 -1.26 0.44 121.76 124.62 2wxp s ALA 470 Ca 0.76 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2wxp s ALA 470 Cb -0.65 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 21.62 2wxp s ALA 470 CO 0.40 0.53 -0.07 -0.51 0.00 0.00 0.00 175.76 176.11 2wxp s LEU 471 N -2.68 1.33 -0.21 0.00 1.43 0.14 -2.83 118.68 115.86 2wxp s LEU 471 Ca 0.25 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2wxp s LEU 471 Cb -0.10 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2wxp s LEU 471 CO 0.16 -0.05 0.07 0.68 0.23 0.00 0.00 176.35 177.44 2wxp s VAL 472 N 1.08 4.69 0.37 -1.59 -7.23 -0.83 0.24 120.40 117.14 2wxp s VAL 472 Ca -0.08 -0.06 0.06 0.00 -1.81 0.00 0.00 61.98 60.09 2wxp s VAL 472 Cb -0.14 -3.15 -0.07 0.00 0.56 0.00 0.00 36.38 33.58 2wxp s VAL 472 CO -0.01 0.41 0.03 0.27 -0.31 0.00 0.00 175.10 175.49 2wxp s ILE 473 N 0.83 1.63 -0.22 -0.62 -4.36 -0.42 -1.29 121.20 116.75 2wxp s ILE 473 Ca 0.04 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 2wxp s ILE 473 Cb -0.14 -2.91 0.06 0.00 1.25 0.00 0.00 42.46 40.73 2wxp s ILE 473 CO 0.02 0.00 0.00 -0.47 0.24 0.00 0.00 174.94 174.74 2wxp s TYR 474 N -2.98 1.68 -0.03 1.37 5.04 0.62 -1.10 117.35 121.97 2wxp s TYR 474 Ca 0.36 -1.33 -0.30 0.00 -2.44 0.00 0.00 57.07 53.36 2wxp s TYR 474 Cb 0.09 -1.34 -0.05 0.00 0.35 0.00 0.00 41.96 41.02 2wxp s TYR 474 CO 0.17 -0.71 1.39 -0.51 -1.34 0.00 0.00 175.55 174.55 2wxp s LEU 475 N 1.63 4.30 0.25 6.97 2.01 0.51 -2.30 118.68 132.06 2wxp s LEU 475 Ca -0.02 2.05 -0.28 0.00 0.01 0.00 0.00 54.13 55.90 2wxp s LEU 475 Cb -0.18 -3.56 -0.09 0.00 0.01 0.00 0.00 46.19 42.37 2wxp s LEU 475 CO -0.09 -0.73 0.91 -2.16 1.01 0.00 0.00 176.35 175.29 2wxp s PRO 476 N 2.61 4.71 -0.67 1.29 0.04 -1.26 -3.92 135.00 137.80 2wxp s PRO 476 Ca 0.63 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.77 2wxp s PRO 476 Cb -0.30 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 2wxp s PRO 476 CO 0.25 0.45 1.92 -1.21 0.04 0.00 0.00 177.00 178.45 2wxp s GLU 477 N -1.46 2.56 0.00 4.56 2.02 -1.26 -4.85 118.70 120.26 2wxp s GLU 477 Ca 0.43 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.88 2wxp s GLU 477 Cb -0.23 -4.55 0.00 0.00 0.10 0.00 0.00 34.13 29.45 2wxp s GLU 477 CO 0.28 -2.93 0.41 1.33 0.02 0.00 0.00 175.26 174.37 2wxp n VAL 478 N 7.43 0.25 0.00 2.63 0.24 -1.26 -5.14 118.33 122.47 2wxp n VAL 478 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2wxp n VAL 478 Cb 0.51 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wxp n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxp n ALA 479 N 0.44 0.00 -2.62 2.33 0.00 -1.26 -5.05 120.51 114.34 2wxp n ALA 479 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2wxp n ALA 479 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 2wxp n ALA 479 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wxp s PRO 482 N 4.91 4.00 0.06 0.00 0.02 -1.26 -5.32 135.00 137.41 2wxp s PRO 482 Ca 0.00 -0.29 0.09 0.00 0.02 0.00 0.00 61.00 60.82 2wxp s PRO 482 Cb 0.00 -3.61 -0.03 0.00 0.02 0.00 0.00 34.50 30.88 2wxp s PRO 482 CO 0.00 -0.08 -0.26 0.14 -0.33 0.00 0.00 177.00 176.48 2wxp s VAL 483 N 1.46 2.10 0.11 3.83 -7.23 -1.26 -5.07 120.40 114.34 2wxp s VAL 483 Ca 0.07 -1.43 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 2wxp s VAL 483 Cb -0.15 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 2wxp s VAL 483 CO 0.08 0.30 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.68 2wxp s TYR 484 N -0.85 1.61 0.08 2.82 2.02 -1.26 -1.48 117.35 120.28 2wxp s TYR 484 Ca 0.12 -0.45 -0.31 0.00 -0.37 0.00 0.00 57.07 56.05 2wxp s TYR 484 Cb -0.10 -0.87 -0.07 0.00 -0.40 0.00 0.00 41.96 40.52 2wxp s TYR 484 CO 0.03 0.18 1.47 0.12 -1.57 0.00 0.00 175.55 175.78 2wxp s PHE 485 N -1.44 2.92 0.33 2.71 2.19 -0.81 -4.57 117.98 119.32 2wxp s PHE 485 Ca 0.06 0.74 -0.29 0.00 0.33 0.00 0.00 56.93 57.77 2wxp s PHE 485 Cb -0.09 -3.76 -0.12 0.00 -1.31 0.00 0.00 43.02 37.74 2wxp s PHE 485 CO 0.04 -2.84 1.39 -2.30 1.83 0.00 0.00 175.22 173.33 2wxp n PRO 486 N 4.75 2.31 -1.10 10.12 -0.02 -1.26 -4.94 135.00 144.85 2wxp n PRO 486 Ca 0.13 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 62.11 2wxp n PRO 486 Cb 0.42 -2.46 0.12 0.00 -0.02 0.00 0.00 33.50 31.56 2wxp n PRO 486 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wxp s ALA 487 N -0.83 1.92 0.28 3.55 0.00 -1.26 -4.67 121.76 120.75 2wxp s ALA 487 Ca 0.58 0.56 0.02 0.00 0.00 0.00 0.00 51.96 53.12 2wxp s ALA 487 Cb -0.55 -3.39 0.68 0.00 0.00 0.00 0.00 23.12 19.86 2wxp s ALA 487 CO 0.59 -2.17 1.70 1.25 0.00 0.00 0.00 175.76 177.13 2wxp h LEU 488 N -1.17 0.29 -0.74 0.00 5.85 -1.98 0.54 115.31 118.11 2wxp h LEU 488 Ca -0.44 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.52 2wxp h LEU 488 Cb 1.26 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 2wxp h LEU 488 CO 0.47 0.01 0.38 1.05 -0.34 0.00 0.00 178.44 180.00 2wxp h GLU 489 N 0.39 0.62 -0.15 1.25 4.11 -1.99 0.61 114.58 119.43 2wxp h GLU 489 Ca 0.53 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.78 2wxp h GLU 489 Cb 0.99 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2wxp h GLU 489 CO -0.52 0.41 -0.55 0.87 0.07 0.00 0.00 179.01 179.29 2wxp h LYS 490 N 0.64 0.43 0.14 1.06 1.79 -1.43 -1.66 116.57 117.53 2wxp h LYS 490 Ca 0.36 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2wxp h LYS 490 Cb 0.38 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2wxp h LYS 490 CO -0.27 0.87 -0.07 0.82 -1.08 0.00 0.00 179.45 179.73 2wxp h ILE 491 N 0.33 0.91 -0.94 1.86 1.08 0.72 -2.81 117.51 118.67 2wxp h ILE 491 Ca 0.01 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2wxp h ILE 491 Cb 1.07 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 2wxp h ILE 491 CO 0.10 0.05 0.62 -0.07 -0.69 0.00 0.00 178.15 178.16 2wxp h LEU 492 N -0.28 1.06 -0.57 1.44 3.38 0.18 -1.26 115.31 119.26 2wxp h LEU 492 Ca -0.02 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2wxp h LEU 492 Cb 0.23 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 2wxp h LEU 492 CO 0.03 0.76 0.15 -0.08 0.09 0.00 0.00 178.44 179.38 2wxp h GLU 493 N 1.25 0.28 0.00 1.13 4.81 -1.28 -3.48 114.58 117.29 2wxp h GLU 493 Ca 0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2wxp h GLU 493 Cb -0.10 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2wxp h GLU 493 CO -0.09 0.19 0.00 -0.11 -0.73 0.00 0.00 179.01 178.27 2wxp n LEU 494 N -5.09 0.00 -0.03 1.64 7.94 -0.48 -5.10 117.00 115.88 2wxp n LEU 494 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2wxp n LEU 494 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2wxp n LEU 494 CO 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.47 2wxp n LEU 511 N 0.00 0.00 0.18 -1.96 -0.00 -1.26 -4.92 117.00 109.04 2wxp n LEU 511 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 2wxp n LEU 511 Cb 0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.28 2wxp n LEU 511 CO 0.00 0.00 0.56 0.03 -0.00 0.00 0.00 177.39 177.98 2wxp h ARG 512 N 0.00 -0.44 -0.07 1.47 2.47 -2.01 -3.08 114.38 112.72 2wxp h ARG 512 Ca 0.00 0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2wxp h ARG 512 Cb 0.00 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2wxp h ARG 512 CO 0.00 -0.14 -0.15 0.93 0.56 0.00 0.00 179.97 181.17 2wxp h GLU 513 N -0.76 0.10 -0.90 0.04 5.08 -2.05 -2.87 114.58 113.23 2wxp h GLU 513 Ca -0.05 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2wxp h GLU 513 Cb 0.51 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2wxp h GLU 513 CO 0.08 0.26 0.55 0.97 -1.00 0.00 0.00 179.01 179.87 2wxp h ILE 514 N 0.10 0.99 0.00 3.13 6.09 -2.04 -1.86 117.51 123.91 2wxp h ILE 514 Ca 0.02 -0.33 -0.18 0.00 -1.37 0.00 0.00 64.86 63.00 2wxp h ILE 514 Cb 0.34 -0.05 -0.03 0.00 0.47 0.00 0.00 36.82 37.55 2wxp h ILE 514 CO 0.02 0.17 -1.47 0.00 -3.07 0.00 0.00 178.15 173.81 2wxp n LEU 515 N -4.64 0.83 -2.92 2.19 -0.00 -1.21 -4.59 117.00 106.67 2wxp n LEU 515 Ca 0.14 0.37 -0.25 0.00 -0.00 0.00 0.00 56.01 56.28 2wxp n LEU 515 Cb 0.24 0.09 -0.06 0.00 -0.00 0.00 0.00 43.42 43.69 2wxp n LEU 515 CO 0.29 0.17 2.46 1.21 -0.00 0.00 0.00 177.39 181.53 2wxp n GLU 516 N -2.89 2.53 -0.93 1.47 2.13 -0.70 -5.07 120.64 117.18 2wxp n GLU 516 Ca -0.11 -1.53 -0.06 0.00 0.66 0.00 0.00 57.16 56.12 2wxp n GLU 516 Cb 0.86 -2.42 -0.05 0.00 0.27 0.00 0.00 31.44 30.10 2wxp n GLU 516 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2wxp n ARG 517 N 3.51 0.01 -0.36 5.31 0.00 -1.26 -4.94 116.66 118.94 2wxp n ARG 517 Ca 0.54 -0.82 0.00 0.00 -0.00 0.00 0.00 57.85 57.57 2wxp n ARG 517 Cb 0.34 0.50 0.00 0.00 -0.00 0.00 0.00 32.46 33.30 2wxp n ARG 517 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wxp n GLU 522 N -0.02 -0.04 -4.23 2.89 1.02 -1.26 -5.22 120.64 113.79 2wxp n GLU 522 Ca -0.23 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.75 2wxp n GLU 522 Cb 0.62 -0.09 -0.12 0.00 -0.02 0.00 0.00 31.44 31.83 2wxp n GLU 522 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2wxp s LEU 523 N 0.00 2.33 0.98 -4.62 2.34 -1.26 -5.15 118.68 113.29 2wxp s LEU 523 Ca 0.00 -0.70 -0.14 0.00 0.06 0.00 0.00 54.13 53.34 2wxp s LEU 523 Cb 0.00 -0.64 0.18 0.00 -0.56 0.00 0.00 46.19 45.16 2wxp s LEU 523 CO 0.00 -0.06 1.16 -0.31 -1.06 0.00 0.00 176.35 176.09 2wxp s TYR 524 N -1.53 1.95 0.04 3.48 2.02 -1.26 -4.78 117.35 117.27 2wxp s TYR 524 Ca 0.04 0.69 -0.31 0.00 -0.37 0.00 0.00 57.07 57.12 2wxp s TYR 524 Cb -0.08 -3.53 -0.17 0.00 -0.40 0.00 0.00 41.96 37.77 2wxp s TYR 524 CO 0.03 -2.72 1.38 1.49 -1.57 0.00 0.00 175.55 174.16 2wxp h GLU 525 N -1.74 -1.09 -0.90 -0.62 4.57 -2.01 0.02 114.58 112.81 2wxp h GLU 525 Ca -0.48 0.07 0.18 0.00 -1.18 0.00 0.00 59.36 57.95 2wxp h GLU 525 Cb 1.31 0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 30.07 2wxp h GLU 525 CO 0.52 -0.72 0.58 1.12 -1.18 0.00 0.00 179.01 179.33 2wxp h HIS 526 N -1.21 0.65 0.14 0.92 2.07 -1.99 0.58 115.15 116.32 2wxp h HIS 526 Ca -0.12 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.42 2wxp h HIS 526 Cb 0.86 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 30.64 2wxp h HIS 526 CO 0.02 0.19 -0.09 0.93 -3.07 0.00 0.00 177.93 175.91 2wxp h GLU 527 N 0.51 -0.23 -0.78 5.12 5.08 -1.83 -1.35 114.58 121.11 2wxp h GLU 527 Ca 0.47 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 59.03 2wxp h GLU 527 Cb 1.00 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.17 2wxp h GLU 527 CO -0.20 -0.15 0.08 0.87 -1.00 0.00 0.00 179.01 178.61 2wxp h LYS 528 N -0.23 0.14 -0.96 2.33 1.57 0.10 -1.74 116.57 117.78 2wxp h LYS 528 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wxp h LYS 528 Cb 0.20 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 2wxp h LYS 528 CO 0.01 0.10 0.62 -0.44 -0.57 0.00 0.00 179.45 179.16 2wxp h ASP 529 N 0.15 1.12 -0.26 0.86 5.19 -0.08 -1.51 116.42 121.89 2wxp h ASP 529 Ca 0.45 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.77 2wxp h ASP 529 Cb 0.82 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 2wxp h ASP 529 CO -0.65 0.83 0.01 0.25 -3.12 0.00 0.00 179.24 176.56 2wxp h LEU 530 N 1.31 0.45 0.07 1.55 7.12 -0.40 -1.33 115.31 124.09 2wxp h LEU 530 Ca 0.35 -0.30 0.01 0.00 0.13 0.00 0.00 57.88 58.07 2wxp h LEU 530 Cb -0.12 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 39.87 2wxp h LEU 530 CO -0.07 0.64 -0.11 0.58 -0.13 0.00 0.00 178.44 179.34 2wxp h VAL 531 N 0.25 0.73 -0.45 1.05 2.07 -1.03 0.61 116.25 119.47 2wxp h VAL 531 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2wxp h VAL 531 Cb 0.41 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2wxp h VAL 531 CO 0.01 0.00 0.26 -0.25 0.02 0.00 0.00 177.57 177.61 2wxp h TRP 532 N -0.23 0.49 -0.52 1.57 2.91 -1.29 -1.95 115.95 116.93 2wxp h TRP 532 Ca 0.02 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.14 2wxp h TRP 532 Cb 0.24 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 2wxp h TRP 532 CO -0.14 0.28 0.35 -0.22 -1.03 0.00 0.00 178.44 177.68 2wxp h LYS 533 N 0.52 0.36 -0.40 2.65 1.63 -0.63 -2.51 116.57 118.19 2wxp h LYS 533 Ca 0.18 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.80 2wxp h LYS 533 Cb 0.03 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.48 2wxp h LYS 533 CO -0.09 0.24 0.03 -1.33 -3.45 0.00 0.00 179.45 174.85 2wxp n MET 534 N -4.47 2.29 -0.23 1.90 2.81 0.15 -4.73 117.12 114.85 2wxp n MET 534 Ca 0.08 -3.06 0.07 0.00 -1.81 0.00 0.00 57.70 52.98 2wxp n MET 534 Cb 0.32 -1.88 0.33 0.00 -0.71 0.00 0.00 33.22 31.28 2wxp n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2wxp h ARG 535 N 1.32 0.78 -0.67 0.03 0.11 -0.91 -1.43 114.38 113.61 2wxp h ARG 535 Ca 0.20 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.21 2wxp h ARG 535 Cb 1.74 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 32.62 2wxp h ARG 535 CO 0.42 0.51 0.33 0.45 0.10 0.00 0.00 179.97 181.79 2wxp h HIS 536 N 0.80 0.97 0.00 4.08 3.86 -1.86 -0.33 115.15 122.67 2wxp h HIS 536 Ca 0.36 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.46 2wxp h HIS 536 Cb 0.35 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2wxp h HIS 536 CO -0.00 0.72 -0.31 0.93 0.86 0.00 0.00 177.93 180.12 2wxp h GLU 537 N 0.93 0.00 -0.04 2.45 4.39 -1.67 0.25 114.58 120.90 2wxp h GLU 537 Ca 0.23 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 2wxp h GLU 537 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2wxp h GLU 537 CO -0.03 0.31 -0.04 0.28 -1.16 0.00 0.00 179.01 178.37 2wxp h VAL 538 N 0.00 1.40 -0.91 3.13 2.07 -0.77 0.31 116.25 121.48 2wxp h VAL 538 Ca -0.00 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.32 2wxp h VAL 538 Cb 0.71 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.58 2wxp h VAL 538 CO 0.04 0.34 0.59 -0.61 0.02 0.00 0.00 177.57 177.95 2wxp h GLN 539 N -0.39 1.04 0.08 1.57 4.15 -0.66 0.74 115.11 121.65 2wxp h GLN 539 Ca 0.00 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 2wxp h GLN 539 Cb 0.57 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 28.04 2wxp h GLN 539 CO 0.01 0.69 -0.50 0.93 -1.93 0.00 0.00 178.83 178.03 2wxp h GLU 540 N 1.07 0.18 0.00 1.69 5.08 -0.91 -3.38 114.58 118.31 2wxp h GLU 540 Ca 0.38 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wxp h GLU 540 Cb 0.13 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2wxp h GLU 540 CO -0.13 1.15 -0.80 0.72 -1.00 0.00 0.00 179.01 178.94 2wxp n HIS 541 N -4.32 0.00 -2.70 4.33 8.25 0.11 -4.70 115.22 116.19 2wxp n HIS 541 Ca -0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.26 2wxp n HIS 541 Cb 0.69 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.75 2wxp n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wxp n PHE 542 N -1.44 1.17 -0.04 4.41 3.72 0.17 -4.95 117.46 120.50 2wxp n PHE 542 Ca 0.00 -2.65 0.24 0.00 -0.05 0.00 0.00 57.45 54.99 2wxp n PHE 542 Cb 0.18 -0.35 0.60 0.00 -0.94 0.00 0.00 39.48 38.97 2wxp n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxp h PRO 543 N 2.92 0.00 -0.00 -1.08 0.13 -1.50 0.24 132.00 132.71 2wxp h PRO 543 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2wxp h PRO 543 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wxp h PRO 543 CO 0.43 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.57 2wxp n GLU 544 N -3.44 0.50 -0.61 0.86 1.02 -1.26 -2.83 120.64 114.87 2wxp n GLU 544 Ca 0.15 -0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.33 2wxp n GLU 544 Cb 1.05 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 31.30 2wxp n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxp n ALA 545 N -1.23 3.22 -0.29 0.62 0.00 0.85 -4.58 120.51 119.11 2wxp n ALA 545 Ca 0.15 -1.45 0.09 0.00 0.00 0.00 0.00 53.44 52.23 2wxp n ALA 545 Cb 0.24 -1.05 0.22 0.00 0.00 0.00 0.00 19.45 18.86 2wxp n ALA 545 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxp h LEU 546 N 3.55 -0.31 -0.61 0.00 5.85 -1.70 -1.62 115.31 120.46 2wxp h LEU 546 Ca 0.00 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2wxp h LEU 546 Cb 1.44 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 2wxp h LEU 546 CO 0.27 -0.22 0.28 0.00 -0.34 0.00 0.00 178.44 178.43 2wxp h ALA 547 N 1.80 0.79 -0.23 1.25 0.00 -1.89 0.61 119.26 121.59 2wxp h ALA 547 Ca 0.49 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2wxp h ALA 547 Cb 0.93 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2wxp h ALA 547 CO -0.73 0.37 -0.19 -0.09 0.00 0.00 0.00 179.25 178.60 2wxp h ARG 548 N 0.84 0.40 -0.20 0.00 2.43 -1.66 -0.97 114.38 115.23 2wxp h ARG 548 Ca 0.21 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 2wxp h ARG 548 Cb 0.14 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2wxp h ARG 548 CO -0.02 0.59 -0.34 1.25 -1.51 0.00 0.00 179.97 179.93 2wxp h LEU 549 N 0.37 0.65 -1.02 3.80 5.85 -1.06 -2.89 115.31 121.02 2wxp h LEU 549 Ca 0.06 -0.53 0.06 0.00 0.84 0.00 0.00 57.88 58.30 2wxp h LEU 549 Cb 0.55 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2wxp h LEU 549 CO 0.04 1.06 0.65 -0.07 -0.34 0.00 0.00 178.44 179.78 2wxp h LEU 550 N 0.26 1.05 -1.38 2.25 3.38 -0.28 -1.84 115.31 118.75 2wxp h LEU 550 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2wxp h LEU 550 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2wxp h LEU 550 CO 0.08 0.69 -0.26 -0.07 0.09 0.00 0.00 178.44 178.97 2wxp h LEU 551 N 1.20 0.00 0.00 1.67 3.38 -1.17 -3.06 115.31 117.33 2wxp h LEU 551 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2wxp h LEU 551 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2wxp h LEU 551 CO -0.15 0.26 -0.81 -0.37 0.09 0.00 0.00 178.44 177.46 2wxp h VAL 552 N 0.00 0.00 -3.74 1.22 -1.51 -1.13 -3.47 116.25 107.61 2wxp h VAL 552 Ca -0.00 -0.76 -0.52 0.00 -1.23 0.00 0.00 66.70 64.19 2wxp h VAL 552 Cb 0.62 1.30 0.06 0.00 -2.13 0.00 0.00 31.29 31.14 2wxp h VAL 552 CO 0.03 0.00 0.68 0.28 -1.23 0.00 0.00 177.57 177.33 2wxp s THR 553 N -3.27 2.68 -0.81 7.19 -1.32 -0.88 -4.93 115.64 114.30 2wxp s THR 553 Ca 0.03 0.65 -0.26 0.00 -1.21 0.00 0.00 61.69 60.90 2wxp s THR 553 Cb 0.11 -3.42 0.03 0.00 -1.51 0.00 0.00 72.50 67.72 2wxp s THR 553 CO 0.76 0.14 1.38 -0.54 -2.21 0.00 0.00 174.62 174.15 2wxp s LYS 554 N -1.40 3.24 0.00 7.08 -0.14 -1.26 -4.85 119.74 122.41 2wxp s LYS 554 Ca 0.52 -0.42 0.18 0.00 -1.36 0.00 0.00 55.97 54.89 2wxp s LYS 554 Cb -0.41 -4.53 0.86 0.00 -1.68 0.00 0.00 37.83 32.08 2wxp s LYS 554 CO 0.51 -2.23 1.54 0.91 -0.76 0.00 0.00 175.35 175.32 2wxp n TRP 555 N 9.57 0.00 -0.91 3.18 7.02 -1.26 -2.37 117.44 132.67 2wxp n TRP 555 Ca 0.13 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.68 2wxp n TRP 555 Cb 0.50 -0.34 0.37 0.00 -2.42 0.00 0.00 31.31 29.42 2wxp n TRP 555 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2wxp n ASN 556 N -1.34 5.31 -3.74 -0.99 0.23 -1.26 -4.26 115.26 109.22 2wxp n ASN 556 Ca 0.07 -2.92 -0.25 0.00 -0.53 0.00 0.00 54.58 50.95 2wxp n ASN 556 Cb 0.16 -0.65 -0.17 0.00 -2.08 0.00 0.00 39.78 37.04 2wxp n ASN 556 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wxp s LYS 557 N -2.72 0.55 0.24 -3.83 -0.14 -1.00 -4.85 119.74 107.98 2wxp s LYS 557 Ca 0.52 -0.12 -0.02 0.00 -1.36 0.00 0.00 55.97 54.99 2wxp s LYS 557 Cb 0.40 -1.52 0.27 0.00 -1.68 0.00 0.00 37.83 35.29 2wxp s LYS 557 CO 0.15 -0.48 1.66 1.12 -0.76 0.00 0.00 175.35 177.04 2wxp h HIS 558 N 8.31 0.74 -0.77 3.18 2.07 -1.83 -2.00 115.15 124.85 2wxp h HIS 558 Ca -0.18 -0.17 0.10 0.00 -2.85 0.00 0.00 60.37 57.28 2wxp h HIS 558 Cb 1.13 -0.18 -0.08 0.00 2.57 0.00 0.00 27.41 30.85 2wxp h HIS 558 CO 0.36 0.84 0.40 0.93 -3.07 0.00 0.00 177.93 177.40 2wxp h GLU 559 N 0.57 0.64 -0.18 5.12 5.08 -1.94 0.27 114.58 124.14 2wxp h GLU 559 Ca 0.08 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2wxp h GLU 559 Cb 0.73 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2wxp h GLU 559 CO 0.06 0.43 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.88 2wxp h ASP 560 N 0.66 0.47 -0.76 1.42 5.19 -1.73 -2.28 116.42 119.39 2wxp h ASP 560 Ca 0.38 -0.48 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2wxp h ASP 560 Cb 0.41 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 2wxp h ASP 560 CO -0.28 0.85 0.46 0.58 -3.12 0.00 0.00 179.24 177.73 2wxp h VAL 561 N 0.10 1.21 -0.42 -1.35 2.07 -1.19 0.69 116.25 117.36 2wxp h VAL 561 Ca 0.03 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.17 2wxp h VAL 561 Cb 0.71 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 2wxp h VAL 561 CO 0.04 0.22 -0.13 0.00 0.02 0.00 0.00 177.57 177.72 2wxp h ALA 562 N 1.24 0.23 -0.54 1.67 0.00 -0.89 0.35 119.26 121.32 2wxp h ALA 562 Ca 0.27 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 2wxp h ALA 562 Cb -0.04 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2wxp h ALA 562 CO -0.05 -0.48 -0.03 1.96 0.00 0.00 0.00 179.25 180.65 2wxp h GLN 563 N -0.04 0.98 -0.39 0.00 4.20 -0.74 0.20 115.11 119.32 2wxp h GLN 563 Ca 0.21 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2wxp h GLN 563 Cb 0.35 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2wxp h GLN 563 CO -0.46 1.00 0.16 1.98 -0.67 0.00 0.00 178.83 180.84 2wxp h MET 564 N 0.86 0.58 -0.44 1.46 4.05 -0.64 -2.61 114.93 118.18 2wxp h MET 564 Ca 0.15 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2wxp h MET 564 Cb 0.58 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2wxp h MET 564 CO 0.03 0.55 0.29 -0.07 0.23 0.00 0.00 176.91 177.95 2wxp h LEU 565 N 0.48 0.50 -0.79 3.39 4.07 -0.74 -1.57 115.31 120.65 2wxp h LEU 565 Ca 0.13 -0.01 0.18 0.00 0.08 0.00 0.00 57.88 58.26 2wxp h LEU 565 Cb 0.19 -0.12 -0.14 0.00 1.08 0.00 0.00 40.66 41.66 2wxp h LEU 565 CO -0.01 0.36 -0.00 0.22 -1.08 0.00 0.00 178.44 177.93 2wxp h TYR 566 N 0.60 -0.07 -0.58 1.13 3.20 -0.28 0.86 116.97 121.83 2wxp h TYR 566 Ca 0.16 0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2wxp h TYR 566 Cb -0.06 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2wxp h TYR 566 CO -0.05 -0.27 0.00 -0.07 -1.64 0.00 0.00 178.16 176.14 2wxp h LEU 567 N 0.09 0.98 -1.27 2.82 3.38 -1.09 -3.20 115.31 117.01 2wxp h LEU 567 Ca 0.44 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2wxp h LEU 567 Cb 0.78 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2wxp h LEU 567 CO -0.71 1.03 0.51 0.25 0.09 0.00 0.00 178.44 179.61 2wxp h LEU 568 N 0.92 0.81 -1.77 1.67 5.85 0.13 -2.33 115.31 120.59 2wxp h LEU 568 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2wxp h LEU 568 Cb 0.53 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2wxp h LEU 568 CO 0.03 0.56 -0.16 0.00 -0.34 0.00 0.00 178.44 178.52 2wxp n SER 570 N -3.88 3.36 -4.75 0.00 3.41 -1.05 -5.03 113.62 105.68 2wxp n SER 570 Ca -0.02 -2.31 -0.41 0.00 -0.26 0.00 0.00 58.87 55.87 2wxp n SER 570 Cb 0.25 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 2wxp n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wxp s TRP 571 N -1.57 3.14 0.54 7.33 -0.11 -0.71 -4.97 118.94 122.59 2wxp s TRP 571 Ca 0.31 1.25 -0.19 0.00 1.22 0.00 0.00 56.10 58.69 2wxp s TRP 571 Cb 0.20 -3.67 -0.06 0.00 -1.50 0.00 0.00 33.47 28.44 2wxp s TRP 571 CO 0.15 -2.04 1.07 -1.25 -4.62 0.00 0.00 176.95 170.27 2wxp s PRO 572 N -0.76 3.52 0.61 5.86 0.04 -1.26 -4.99 135.00 138.02 2wxp s PRO 572 Ca 0.54 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 2wxp s PRO 572 Cb -0.39 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2wxp s PRO 572 CO 0.44 -0.67 1.02 0.39 0.04 0.00 0.00 177.00 178.22 2wxp n GLU 573 N -1.38 0.93 -4.39 4.56 1.02 -1.26 -5.02 120.64 115.10 2wxp n GLU 573 Ca 0.10 0.36 -0.25 0.00 -0.02 0.00 0.00 57.16 57.35 2wxp n GLU 573 Cb 0.52 -2.23 -0.10 0.00 -0.02 0.00 0.00 31.44 29.61 2wxp n GLU 573 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wxp s LEU 574 N -2.45 2.72 0.79 -4.62 1.43 -1.26 -5.07 118.68 110.21 2wxp s LEU 574 Ca 0.77 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 2wxp s LEU 574 Cb -0.41 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 44.54 2wxp s LEU 574 CO 0.46 0.08 1.18 -2.84 0.23 0.00 0.00 176.35 175.45 2wxp s PRO 575 N -3.09 1.78 0.26 1.29 0.02 -1.26 -4.69 135.00 129.32 2wxp s PRO 575 Ca 0.26 1.65 -0.08 0.00 0.02 0.00 0.00 61.00 62.85 2wxp s PRO 575 Cb -0.07 -1.80 0.45 0.00 0.02 0.00 0.00 34.50 33.09 2wxp s PRO 575 CO 0.14 -2.09 1.59 0.28 -0.33 0.00 0.00 177.00 176.59 2wxp h VAL 576 N -0.87 0.14 -0.30 3.83 2.07 -1.99 -0.08 116.25 119.05 2wxp h VAL 576 Ca -0.46 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.12 2wxp h VAL 576 Cb 1.28 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2wxp h VAL 576 CO 0.47 0.00 -0.15 0.25 0.02 0.00 0.00 177.57 178.16 2wxp h LEU 577 N 0.02 -0.52 -0.30 2.57 5.85 -1.96 0.11 115.31 121.08 2wxp h LEU 577 Ca 0.45 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.28 2wxp h LEU 577 Cb 0.74 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2wxp h LEU 577 CO -0.87 -0.19 0.17 0.28 -0.34 0.00 0.00 178.44 177.49 2wxp h SER 578 N -0.11 0.37 -0.76 1.25 0.02 -1.61 -2.80 113.55 109.91 2wxp h SER 578 Ca 0.16 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 2wxp h SER 578 Cb 0.35 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 2wxp h SER 578 CO -0.37 0.34 0.50 0.00 -1.14 0.00 0.00 176.83 176.16 2wxp h ALA 579 N 1.05 1.75 -0.35 3.77 0.00 -0.10 -1.79 119.26 123.59 2wxp h ALA 579 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2wxp h ALA 579 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wxp h ALA 579 CO -0.02 0.11 -0.06 -0.07 0.00 0.00 0.00 179.25 179.21 2wxp h LEU 580 N 0.73 0.55 -0.48 0.00 3.38 -0.55 -2.68 115.31 116.26 2wxp h LEU 580 Ca 0.34 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2wxp h LEU 580 Cb 0.37 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wxp h LEU 580 CO -0.12 0.66 0.24 -0.08 0.09 0.00 0.00 178.44 179.23 2wxp h GLU 581 N 0.54 0.69 0.00 1.13 4.81 -1.21 -2.91 114.58 117.62 2wxp h GLU 581 Ca 0.10 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2wxp h GLU 581 Cb 0.44 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2wxp h GLU 581 CO 0.02 0.57 0.00 -0.07 -0.73 0.00 0.00 179.01 178.80 2wxp h LEU 582 N 0.64 0.00 -0.10 1.64 3.38 -1.23 -1.46 115.31 118.18 2wxp h LEU 582 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wxp h LEU 582 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2wxp h LEU 582 CO -0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.69 2wxp n LEU 583 N -2.90 0.72 -4.64 1.67 4.77 -1.10 -4.55 117.00 110.96 2wxp n LEU 583 Ca -0.02 0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 56.20 2wxp n LEU 583 Cb 0.10 -0.37 0.11 0.00 -2.33 0.00 0.00 43.42 40.94 2wxp n LEU 583 CO 0.19 -0.22 0.61 -0.67 -1.33 0.00 0.00 177.39 175.97 2wxp n ASP 584 N -2.19 0.56 0.32 -1.43 2.03 -0.55 -4.88 116.55 110.41 2wxp n ASP 584 Ca 0.05 0.59 0.20 0.00 0.52 0.00 0.00 54.79 56.15 2wxp n ASP 584 Cb 0.39 -1.45 1.11 0.00 -0.72 0.00 0.00 41.12 40.45 2wxp n ASP 584 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2wxp h PHE 585 N -0.77 0.00 0.00 -0.67 3.57 -1.89 -1.72 116.94 115.46 2wxp h PHE 585 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2wxp h PHE 585 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2wxp h PHE 585 CO 0.44 0.00 0.06 0.43 -2.23 0.00 0.00 178.31 177.01 2wxp n SER 586 N -3.30 0.14 -3.46 0.41 7.64 -1.26 -3.58 113.62 110.21 2wxp n SER 586 Ca -0.03 0.52 -0.26 0.00 1.01 0.00 0.00 58.87 60.11 2wxp n SER 586 Cb 0.09 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 62.67 2wxp n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wxp n PHE 587 N -1.66 1.35 0.23 1.43 3.72 -0.65 -4.88 117.46 116.99 2wxp n PHE 587 Ca -0.00 -3.82 0.12 0.00 -0.05 0.00 0.00 57.45 53.70 2wxp n PHE 587 Cb 0.07 -0.32 0.26 0.00 -0.94 0.00 0.00 39.48 38.55 2wxp n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxp h PRO 588 N 4.74 0.00 -6.59 -1.08 0.13 -1.80 -3.42 132.00 123.97 2wxp h PRO 588 Ca 0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.71 2wxp h PRO 588 Cb 0.80 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.03 2wxp h PRO 588 CO 0.59 0.03 0.43 -3.47 -0.23 0.00 0.00 178.00 175.35 2wxp n ASP 589 N -3.11 2.28 0.14 1.44 2.03 -1.26 -4.83 116.55 113.24 2wxp n ASP 589 Ca 0.03 1.17 0.01 0.00 0.52 0.00 0.00 54.79 56.53 2wxp n ASP 589 Cb 0.50 -1.40 0.14 0.00 -0.72 0.00 0.00 41.12 39.64 2wxp n ASP 589 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wxp h TYR 591 N 0.00 0.67 -0.28 0.00 0.05 -1.98 0.95 116.97 116.38 2wxp h TYR 591 Ca -0.01 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.53 2wxp h TYR 591 Cb 1.23 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 2wxp h TYR 591 CO 0.00 0.93 0.07 0.28 -1.05 0.00 0.00 178.16 178.39 2wxp h VAL 592 N 0.44 1.21 -0.63 -2.88 2.07 -1.88 -0.83 116.25 113.75 2wxp h VAL 592 Ca 0.02 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2wxp h VAL 592 Cb 1.00 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2wxp h VAL 592 CO 0.09 0.23 0.19 1.23 0.02 0.00 0.00 177.57 179.33 2wxp h GLY 593 N 0.29 1.05 1.00 2.17 0.00 -1.07 0.14 103.07 106.65 2wxp h GLY 593 Ca 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2wxp h GLY 593 CO 0.00 0.59 0.36 0.23 0.00 0.00 0.00 176.54 177.72 2wxp h SER 594 N 0.90 0.78 -0.82 0.19 0.87 -0.81 -0.73 113.55 113.92 2wxp h SER 594 Ca 0.20 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2wxp h SER 594 Cb 0.30 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 2wxp h SER 594 CO -0.00 0.63 0.41 0.15 -0.53 0.00 0.00 176.83 177.48 2wxp h PHE 595 N 0.86 1.17 -0.12 2.24 3.57 -0.56 -1.42 116.94 122.68 2wxp h PHE 595 Ca 0.22 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2wxp h PHE 595 Cb 0.01 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 2wxp h PHE 595 CO -0.01 0.84 0.03 0.00 -2.23 0.00 0.00 178.31 176.94 2wxp h ALA 596 N 1.22 0.12 -0.62 2.41 0.00 -0.15 0.13 119.26 122.37 2wxp h ALA 596 Ca 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2wxp h ALA 596 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2wxp h ALA 596 CO -0.04 -0.42 0.32 0.82 0.00 0.00 0.00 179.25 179.93 2wxp h ILE 597 N 0.08 1.21 -0.81 0.00 1.08 -1.02 -1.08 117.51 116.98 2wxp h ILE 597 Ca 0.05 -0.55 0.06 0.00 -0.39 0.00 0.00 64.86 64.03 2wxp h ILE 597 Cb 0.03 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 34.16 2wxp h ILE 597 CO -0.06 0.23 0.49 0.50 -0.69 0.00 0.00 178.15 178.62 2wxp h LYS 598 N 0.84 0.87 0.00 2.37 3.64 -0.91 0.16 116.57 123.54 2wxp h LYS 598 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wxp h LYS 598 Cb 0.08 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2wxp h LYS 598 CO -0.03 0.57 0.00 0.43 -2.27 0.00 0.00 179.45 178.15 2wxp n SER 599 N -4.66 0.53 0.00 4.20 7.64 0.43 -3.08 113.62 118.68 2wxp n SER 599 Ca 0.11 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.71 2wxp n SER 599 Cb 0.17 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 2wxp n SER 599 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wxp n LEU 600 N -2.07 0.65 0.29 -3.43 4.77 0.37 -4.25 117.00 113.34 2wxp n LEU 600 Ca 0.03 -0.24 0.19 0.00 -0.03 0.00 0.00 56.01 55.96 2wxp n LEU 600 Cb 0.25 -0.04 0.98 0.00 -2.33 0.00 0.00 43.42 42.29 2wxp n LEU 600 CO 0.21 0.13 1.16 0.03 -1.33 0.00 0.00 177.39 177.59 2wxp h ARG 601 N 0.00 0.00 -0.04 3.23 3.08 -0.98 0.11 114.38 119.78 2wxp h ARG 601 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxp h ARG 601 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wxp h ARG 601 CO 0.00 0.00 0.00 0.36 -1.07 0.00 0.00 179.97 179.26 2wxp n LYS 602 N -3.34 1.12 -1.87 0.04 2.85 -1.26 -4.82 118.16 110.88 2wxp n LYS 602 Ca -0.01 -0.19 -0.41 0.00 -1.05 0.00 0.00 58.31 56.65 2wxp n LYS 602 Cb 0.22 -1.15 -0.02 0.00 -0.65 0.00 0.00 35.03 33.44 2wxp n LYS 602 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wxp s LEU 603 N -1.23 4.36 0.83 -5.58 1.43 0.38 -5.00 118.68 113.86 2wxp s LEU 603 Ca 0.14 2.88 -0.11 0.00 -1.03 0.00 0.00 54.13 56.00 2wxp s LEU 603 Cb 0.07 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.74 2wxp s LEU 603 CO 0.10 -0.82 1.09 0.42 0.23 0.00 0.00 176.35 177.37 2wxp s THR 604 N -0.30 2.95 0.24 5.49 -4.23 -1.26 -4.85 115.64 113.69 2wxp s THR 604 Ca 0.59 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.40 2wxp s THR 604 Cb -0.45 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 70.50 2wxp s THR 604 CO 0.50 -0.40 1.68 0.44 -0.54 0.00 0.00 174.62 176.29 2wxp h ASP 605 N -1.25 0.67 -0.62 3.99 3.32 -1.98 0.31 116.42 120.86 2wxp h ASP 605 Ca -0.48 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.32 2wxp h ASP 605 Cb 1.27 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2wxp h ASP 605 CO 0.57 0.87 0.28 0.44 -1.72 0.00 0.00 179.24 179.69 2wxp h ASP 606 N 0.59 0.82 -0.43 6.45 3.32 -1.97 0.30 116.42 125.50 2wxp h ASP 606 Ca 0.09 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 2wxp h ASP 606 Cb 0.68 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2wxp h ASP 606 CO 0.05 0.74 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.87 2wxp h GLU 607 N 0.86 0.84 -0.41 3.56 5.08 -1.89 -1.69 114.58 120.92 2wxp h GLU 607 Ca 0.21 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2wxp h GLU 607 Cb 0.14 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2wxp h GLU 607 CO -0.02 0.95 0.19 1.25 -1.00 0.00 0.00 179.01 180.38 2wxp h LEU 608 N 0.66 0.54 -0.90 1.33 5.85 -0.66 -1.15 115.31 120.98 2wxp h LEU 608 Ca 0.11 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.82 2wxp h LEU 608 Cb 0.65 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.45 2wxp h LEU 608 CO 0.04 0.53 0.52 0.15 -0.34 0.00 0.00 178.44 179.35 2wxp h PHE 609 N 0.52 0.94 -0.02 1.25 3.57 -0.26 0.76 116.94 123.70 2wxp h PHE 609 Ca 0.14 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2wxp h PHE 609 Cb 0.14 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2wxp h PHE 609 CO -0.01 0.32 -0.37 0.37 -2.23 0.00 0.00 178.31 176.39 2wxp h GLN 610 N 0.80 0.05 -0.32 1.11 5.75 -0.28 -2.83 115.11 119.38 2wxp h GLN 610 Ca 0.47 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.95 2wxp h GLN 610 Cb 0.55 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2wxp h GLN 610 CO -0.30 0.41 0.00 0.66 -2.65 0.00 0.00 178.83 176.95 2wxp n TYR 611 N -4.09 0.42 -0.21 3.99 4.01 -0.68 -4.68 117.16 115.91 2wxp n TYR 611 Ca -0.02 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 2wxp n TYR 611 Cb 0.41 -0.01 0.12 0.00 -0.31 0.00 0.00 39.34 39.55 2wxp n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2wxp h LEU 612 N 3.06 0.31 -0.58 7.72 5.85 -0.60 -1.95 115.31 129.12 2wxp h LEU 612 Ca 0.00 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.90 2wxp h LEU 612 Cb 0.78 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.75 2wxp h LEU 612 CO 0.00 0.18 0.06 0.25 -0.34 0.00 0.00 178.44 178.60 2wxp h LEU 613 N 0.47 -0.12 -0.20 2.25 5.85 -1.83 -1.56 115.31 120.16 2wxp h LEU 613 Ca 0.32 0.13 -0.22 0.00 0.84 0.00 0.00 57.88 58.94 2wxp h LEU 613 Cb 0.36 0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.60 2wxp h LEU 613 CO -0.29 -0.05 -0.86 1.56 -0.34 0.00 0.00 178.44 178.47 2wxp h GLN 614 N 0.18 0.55 -0.83 1.25 7.50 -1.72 -2.69 115.11 119.37 2wxp h GLN 614 Ca 0.30 -0.52 -0.00 0.00 0.50 0.00 0.00 58.65 58.93 2wxp h GLN 614 Cb 0.47 0.13 -0.04 0.00 0.05 0.00 0.00 27.48 28.09 2wxp h GLN 614 CO -0.44 1.14 0.50 -0.07 -1.50 0.00 0.00 178.83 178.46 2wxp h LEU 615 N 0.35 0.99 -0.09 1.46 3.38 -1.03 -1.78 115.31 118.59 2wxp h LEU 615 Ca -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2wxp h LEU 615 Cb 1.48 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2wxp h LEU 615 CO 0.16 0.76 0.03 0.58 0.09 0.00 0.00 178.44 180.05 2wxp h VAL 616 N 1.14 1.17 -0.91 1.22 2.07 -1.18 -3.03 116.25 116.73 2wxp h VAL 616 Ca 0.30 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.39 2wxp h VAL 616 Cb -0.05 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2wxp h VAL 616 CO -0.06 0.15 0.59 1.56 0.02 0.00 0.00 177.57 179.83 2wxp h GLN 617 N -0.04 0.92 -0.08 1.57 1.08 -1.18 -1.23 115.11 116.15 2wxp h GLN 617 Ca 0.03 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2wxp h GLN 617 Cb 0.21 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2wxp h GLN 617 CO -0.00 0.61 0.08 0.28 -0.95 0.00 0.00 178.83 178.85 2wxp h VAL 618 N 0.95 0.58 -0.73 -0.54 2.07 -1.21 -0.88 116.25 116.49 2wxp h VAL 618 Ca 0.42 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.12 2wxp h VAL 618 Cb 0.35 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2wxp h VAL 618 CO -0.18 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 177.85 2wxp h LEU 619 N 0.00 0.17 -1.45 2.57 3.38 -1.14 -0.50 115.31 118.35 2wxp h LEU 619 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wxp h LEU 619 Cb 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2wxp h LEU 619 CO -0.00 0.08 0.00 0.11 0.09 0.00 0.00 178.44 178.72 2wxp h LYS 620 N 0.17 0.00 0.00 1.13 1.57 -1.31 -1.72 116.57 116.42 2wxp h LYS 620 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2wxp h LYS 620 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2wxp h LYS 620 CO -0.06 0.00 -0.22 1.88 -0.57 0.00 0.00 179.45 180.48 2wxp h TYR 621 N 0.00 0.00 -4.03 -1.35 0.05 -1.25 -3.43 116.97 106.96 2wxp h TYR 621 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 2wxp h TYR 621 Cb 0.32 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.17 2wxp h TYR 621 CO 0.00 0.00 0.55 -1.21 -1.05 0.00 0.00 178.16 176.45 2wxp s GLU 622 N -3.23 3.43 0.02 4.88 0.41 -0.65 -4.96 118.70 118.61 2wxp s GLU 622 Ca 0.06 2.02 0.18 0.00 -0.41 0.00 0.00 54.97 56.82 2wxp s GLU 622 Cb 0.07 -2.33 -0.17 0.00 -1.78 0.00 0.00 34.13 29.92 2wxp s GLU 622 CO 0.69 -0.89 0.68 0.43 -0.49 0.00 0.00 175.26 175.68 2wxp n SER 623 N -0.77 0.61 -4.39 -0.19 7.64 -1.26 -4.79 113.62 110.47 2wxp n SER 623 Ca 0.09 0.27 -0.19 0.00 1.01 0.00 0.00 58.87 60.04 2wxp n SER 623 Cb 0.46 0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 64.12 2wxp n SER 623 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wxp s TYR 624 N -2.98 1.78 0.07 1.43 2.02 -1.26 -4.87 117.35 113.54 2wxp s TYR 624 Ca -0.04 -1.02 -0.14 0.00 -0.37 0.00 0.00 57.07 55.49 2wxp s TYR 624 Cb 0.09 -1.11 -0.22 0.00 -0.40 0.00 0.00 41.96 40.32 2wxp s TYR 624 CO 0.83 -0.11 1.20 -0.07 -1.57 0.00 0.00 175.55 175.83 2wxp h LEU 625 N 2.25 0.89 -8.81 -1.29 3.38 -1.93 -3.42 115.31 106.38 2wxp h LEU 625 Ca -0.40 -0.72 -0.64 0.00 0.09 0.00 0.00 57.88 56.21 2wxp h LEU 625 Cb 1.24 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 2wxp h LEU 625 CO 0.66 1.49 -0.16 -0.62 0.09 0.00 0.00 178.44 179.90 2wxp s ASP 626 N -7.20 6.27 0.11 -0.43 2.15 -1.26 -4.97 116.67 111.33 2wxp s ASP 626 Ca -0.10 0.03 -0.17 0.00 0.43 0.00 0.00 52.55 52.73 2wxp s ASP 626 Cb 0.07 -2.23 0.04 0.00 -0.30 0.00 0.00 42.92 40.49 2wxp s ASP 626 CO 0.91 -0.36 0.43 0.00 -0.17 0.00 0.00 175.17 175.98 2wxp h GLU 628 N 2.44 1.03 -0.89 0.00 4.39 -1.96 -2.42 114.58 117.17 2wxp h GLU 628 Ca -0.33 -0.14 0.09 0.00 0.34 0.00 0.00 59.36 59.32 2wxp h GLU 628 Cb 1.25 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.64 2wxp h GLU 628 CO 0.45 0.80 0.54 1.25 -1.16 0.00 0.00 179.01 180.88 2wxp h LEU 629 N 1.00 0.80 -0.12 1.33 5.85 -1.97 0.23 115.31 122.42 2wxp h LEU 629 Ca 0.25 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2wxp h LEU 629 Cb 0.10 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2wxp h LEU 629 CO -0.03 0.46 -0.03 0.74 -0.34 0.00 0.00 178.44 179.24 2wxp h THR 630 N 0.90 1.29 -0.52 1.05 2.02 -1.82 0.36 112.91 116.20 2wxp h THR 630 Ca 0.42 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 66.51 2wxp h THR 630 Cb 0.34 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2wxp h THR 630 CO -0.23 0.28 -0.12 0.50 0.37 0.00 0.00 175.52 176.32 2wxp h LYS 631 N -0.09 0.98 0.50 6.66 3.64 -1.40 0.55 116.57 127.41 2wxp h LYS 631 Ca 0.03 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2wxp h LYS 631 Cb 0.45 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2wxp h LYS 631 CO 0.01 1.04 -0.34 0.35 -2.27 0.00 0.00 179.45 178.24 2wxp h PHE 632 N 0.87 -0.90 -0.72 1.91 3.57 -0.81 -0.15 116.94 120.71 2wxp h PHE 632 Ca 0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.70 2wxp h PHE 632 Cb 0.68 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 2wxp h PHE 632 CO 0.04 -0.51 0.40 -0.07 -2.23 0.00 0.00 178.31 175.94 2wxp h LEU 633 N -0.82 0.58 -0.21 0.59 3.38 0.00 -1.84 115.31 116.99 2wxp h LEU 633 Ca -0.06 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2wxp h LEU 633 Cb 0.68 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2wxp h LEU 633 CO 0.04 0.36 -0.12 0.25 0.09 0.00 0.00 178.44 179.05 2wxp h LEU 634 N 0.71 0.47 -1.15 1.67 5.85 -0.82 0.76 115.31 122.81 2wxp h LEU 634 Ca 0.33 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2wxp h LEU 634 Cb 0.25 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2wxp h LEU 634 CO -0.21 0.80 0.33 1.23 -0.34 0.00 0.00 178.44 180.25 2wxp h GLY 635 N 0.15 0.99 1.59 3.75 0.00 -0.90 0.34 103.07 108.99 2wxp h GLY 635 Ca 0.04 -0.46 -0.20 0.00 0.00 0.00 0.00 47.33 46.72 2wxp h GLY 635 CO 0.04 0.44 -0.83 3.21 0.00 0.00 0.00 176.54 179.39 2wxp h ARG 636 N 0.93 0.38 -0.23 4.80 2.47 -1.22 -1.86 114.38 119.65 2wxp h ARG 636 Ca 0.23 -0.36 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 2wxp h ARG 636 Cb 0.07 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 2wxp h ARG 636 CO -0.03 1.02 -0.16 0.00 0.56 0.00 0.00 179.97 181.36 2wxp h ALA 637 N 0.86 1.29 0.00 0.04 0.00 -0.57 -1.08 119.26 119.81 2wxp h ALA 637 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wxp h ALA 637 Cb 1.44 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wxp h ALA 637 CO 0.14 0.47 -0.16 -0.07 0.00 0.00 0.00 179.25 179.63 2wxp h LEU 638 N 0.37 0.00 0.00 0.00 3.38 -0.19 -3.25 115.31 115.62 2wxp h LEU 638 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wxp h LEU 638 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wxp h LEU 638 CO 0.03 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.95 2wxp n ALA 639 N -2.11 3.02 -3.65 1.53 0.00 -0.71 -4.79 120.51 113.79 2wxp n ALA 639 Ca 0.03 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 2wxp n ALA 639 Cb 0.53 -1.16 -0.17 0.00 0.00 0.00 0.00 19.45 18.65 2wxp n ALA 639 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wxp s ASN 640 N -4.02 2.11 0.42 0.00 3.84 -0.43 -4.54 114.94 112.32 2wxp s ASN 640 Ca 0.07 -0.46 0.11 0.00 0.21 0.00 0.00 52.86 52.79 2wxp s ASN 640 Cb 0.14 -0.28 0.90 0.00 -0.55 0.00 0.00 41.25 41.46 2wxp s ASN 640 CO 0.72 -0.31 1.98 -0.09 -2.79 0.00 0.00 177.10 176.60 2wxp h ARG 641 N 8.40 0.20 -0.20 0.43 2.43 -1.22 0.66 114.38 125.07 2wxp h ARG 641 Ca -0.15 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.93 2wxp h ARG 641 Cb 1.14 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2wxp h ARG 641 CO 0.26 0.29 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.70 2wxp h LYS 642 N 0.19 0.41 -0.45 0.20 3.64 -1.82 0.15 116.57 118.90 2wxp h LYS 642 Ca 0.04 -0.18 0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2wxp h LYS 642 Cb 0.26 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 2wxp h LYS 642 CO 0.01 0.71 0.12 0.82 -2.27 0.00 0.00 179.45 178.84 2wxp h ILE 643 N 0.11 0.80 -0.40 2.00 1.08 -1.74 -2.34 117.51 117.02 2wxp h ILE 643 Ca 0.04 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 2wxp h ILE 643 Cb 0.58 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 2wxp h ILE 643 CO 0.03 0.05 0.17 1.23 -0.69 0.00 0.00 178.15 178.93 2wxp h GLY 644 N 0.27 0.53 0.65 5.37 0.00 -0.72 0.34 103.07 109.50 2wxp h GLY 644 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2wxp h GLY 644 CO -0.25 0.06 -0.16 0.84 0.00 0.00 0.00 176.54 177.02 2wxp h HIS 645 N 0.34 -0.43 -0.12 5.60 -0.00 -0.26 -0.97 115.15 119.32 2wxp h HIS 645 Ca 0.18 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.41 2wxp h HIS 645 Cb 0.13 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2wxp h HIS 645 CO -0.13 -0.24 -0.59 0.74 -0.00 0.00 0.00 177.93 177.71 2wxp h PHE 646 N -0.29 0.50 -0.43 5.26 0.04 -1.29 -2.33 116.94 118.40 2wxp h PHE 646 Ca 0.04 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.64 2wxp h PHE 646 Cb 0.34 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2wxp h PHE 646 CO -0.20 0.88 0.27 1.25 -0.60 0.00 0.00 178.31 179.92 2wxp h LEU 647 N 0.29 0.47 0.07 1.54 5.85 -0.78 0.43 115.31 123.18 2wxp h LEU 647 Ca -0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wxp h LEU 647 Cb 1.11 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2wxp h LEU 647 CO 0.10 0.34 -0.18 0.15 -0.34 0.00 0.00 178.44 178.51 2wxp h PHE 648 N 0.56 -0.47 -0.58 1.25 3.57 -0.92 -1.31 116.94 119.05 2wxp h PHE 648 Ca 0.16 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2wxp h PHE 648 Cb -0.04 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2wxp h PHE 648 CO -0.05 -0.26 0.08 -1.49 -2.23 0.00 0.00 178.31 174.36 2wxp h TRP 649 N -0.33 0.98 -0.79 0.41 4.06 -1.27 0.66 115.95 119.67 2wxp h TRP 649 Ca 0.03 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.87 2wxp h TRP 649 Cb 0.36 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 2wxp h TRP 649 CO -0.19 0.84 0.52 0.45 -3.56 0.00 0.00 178.44 176.50 2wxp h HIS 650 N 0.88 0.98 -0.01 0.49 3.86 -0.66 0.07 115.15 120.77 2wxp h HIS 650 Ca 0.18 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2wxp h HIS 650 Cb 0.40 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2wxp h HIS 650 CO 0.02 0.61 -0.01 -0.07 0.86 0.00 0.00 177.93 179.35 2wxp h LEU 651 N 1.06 0.02 -1.36 2.43 3.38 -0.63 -3.28 115.31 116.93 2wxp h LEU 651 Ca 0.29 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2wxp h LEU 651 Cb -0.11 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2wxp h LEU 651 CO -0.07 0.54 0.47 -0.09 0.09 0.00 0.00 178.44 179.39 2wxp h ARG 652 N -0.51 0.79 0.00 1.13 9.65 0.55 -2.46 114.38 123.52 2wxp h ARG 652 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2wxp h ARG 652 Cb 0.54 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2wxp h ARG 652 CO 0.00 0.52 0.00 -1.13 2.80 0.00 0.00 179.97 182.16 2wxp n SER 653 N -4.47 0.00 -0.67 -3.80 3.41 -0.01 -2.41 113.62 105.67 2wxp n SER 653 Ca 0.09 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.11 2wxp n SER 653 Cb 0.16 -0.42 0.18 0.00 -0.26 0.00 0.00 64.21 63.87 2wxp n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wxp n GLU 654 N -1.42 2.87 0.10 4.33 1.02 -0.93 -4.16 120.64 122.45 2wxp n GLU 654 Ca 0.05 -2.28 0.10 0.00 -0.02 0.00 0.00 57.16 55.01 2wxp n GLU 654 Cb 0.15 -1.44 0.45 0.00 -0.02 0.00 0.00 31.44 30.58 2wxp n GLU 654 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wxp n MET 655 N 0.10 0.14 0.00 3.49 2.81 -1.01 -1.80 117.12 120.85 2wxp n MET 655 Ca 0.14 0.41 0.14 0.00 -1.81 0.00 0.00 57.70 56.58 2wxp n MET 655 Cb 0.57 -1.79 0.61 0.00 -0.71 0.00 0.00 33.22 31.90 2wxp n MET 655 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2wxp n HIS 656 N -2.06 0.00 -3.45 2.03 1.44 -1.26 -4.70 115.22 107.21 2wxp n HIS 656 Ca 0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.30 2wxp n HIS 656 Cb 0.19 -0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.19 2wxp n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2wxp s VAL 657 N -2.10 4.99 0.44 0.61 1.01 -0.74 -4.99 120.40 119.63 2wxp s VAL 657 Ca 0.38 -1.09 0.17 0.00 0.00 0.00 0.00 61.98 61.43 2wxp s VAL 657 Cb 0.21 -3.97 0.35 0.00 0.00 0.00 0.00 36.38 32.97 2wxp s VAL 657 CO 0.37 -0.53 1.95 -0.65 0.00 0.00 0.00 175.10 176.25 2wxp h PRO 658 N 8.66 0.34 0.00 2.72 0.11 -1.87 -0.88 132.00 141.08 2wxp h PRO 658 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wxp h PRO 658 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2wxp h PRO 658 CO 0.83 0.23 0.00 0.66 -0.21 0.00 0.00 178.00 179.51 2wxp h SER 659 N 0.35 0.00 0.00 -2.05 4.64 -1.95 -3.19 113.55 111.36 2wxp h SER 659 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2wxp h SER 659 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2wxp h SER 659 CO -0.09 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.20 2wxp n VAL 660 N -2.32 0.00 0.04 0.95 0.24 -0.42 -4.84 118.33 111.99 2wxp n VAL 660 Ca 0.01 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 2wxp n VAL 660 Cb 0.18 1.48 -0.04 0.00 -1.47 0.00 0.00 33.84 33.99 2wxp n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxp h ALA 661 N 0.00 -0.20 0.65 2.33 0.00 -1.31 -0.92 119.26 119.80 2wxp h ALA 661 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wxp h ALA 661 Cb 0.24 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2wxp h ALA 661 CO 0.00 -0.67 -0.31 1.25 0.00 0.00 0.00 179.25 179.52 2wxp h LEU 662 N -0.28 -0.74 -0.72 0.00 5.85 -1.88 0.99 115.31 118.52 2wxp h LEU 662 Ca 0.07 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2wxp h LEU 662 Cb 0.38 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 2wxp h LEU 662 CO -0.20 -0.52 -0.55 -0.09 -0.34 0.00 0.00 178.44 176.74 2wxp h ARG 663 N -0.89 -0.15 -0.72 1.25 2.43 -1.90 0.28 114.38 114.68 2wxp h ARG 663 Ca -0.09 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2wxp h ARG 663 Cb 0.67 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2wxp h ARG 663 CO 0.15 -0.10 0.42 0.74 -1.51 0.00 0.00 179.97 179.66 2wxp h PHE 664 N -0.16 0.95 -0.21 2.20 -1.00 -1.16 -2.10 116.94 115.46 2wxp h PHE 664 Ca 0.12 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2wxp h PHE 664 Cb 0.47 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2wxp h PHE 664 CO -0.90 0.64 0.13 0.78 -1.61 0.00 0.00 178.31 177.35 2wxp h GLY 665 N 1.02 0.30 0.88 -1.45 0.00 -0.14 -2.03 103.07 101.65 2wxp h GLY 665 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.50 2wxp h GLY 665 CO -0.05 0.12 0.54 1.41 0.00 0.00 0.00 176.54 178.56 2wxp h LEU 666 N 0.27 0.90 -0.34 3.11 3.38 -0.37 -1.92 115.31 120.34 2wxp h LEU 666 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2wxp h LEU 666 Cb -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2wxp h LEU 666 CO -0.02 0.62 -0.00 0.40 0.09 0.00 0.00 178.44 179.53 2wxp h ILE 667 N 1.05 1.26 -0.68 1.22 2.04 -1.28 -2.19 117.51 118.93 2wxp h ILE 667 Ca 0.33 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 2wxp h ILE 667 Cb 0.00 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2wxp h ILE 667 CO -0.11 0.32 0.18 0.24 0.00 0.00 0.00 178.15 178.78 2wxp h MET 668 N 0.41 1.07 0.42 2.37 2.86 -1.10 -0.79 114.93 120.17 2wxp h MET 668 Ca 0.10 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2wxp h MET 668 Cb 0.45 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2wxp h MET 668 CO 0.02 0.93 -0.23 1.49 1.06 0.00 0.00 176.91 180.18 2wxp h GLU 669 N 1.02 -0.58 -0.76 1.72 4.81 -1.30 0.31 114.58 119.79 2wxp h GLU 669 Ca 0.22 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.63 2wxp h GLU 669 Cb 0.33 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 2wxp h GLU 669 CO -0.00 -0.39 0.33 0.00 -0.73 0.00 0.00 179.01 178.22 2wxp h ALA 670 N -0.04 1.09 -0.15 2.92 0.00 -1.11 -0.66 119.26 121.30 2wxp h ALA 670 Ca -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wxp h ALA 670 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2wxp h ALA 670 CO 0.07 -0.17 0.09 -0.92 0.00 0.00 0.00 179.25 178.31 2wxp h TYR 671 N 0.49 0.21 -0.96 0.00 3.20 -0.88 -2.11 116.97 116.91 2wxp h TYR 671 Ca 0.41 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.46 2wxp h TYR 671 Cb 0.60 -0.07 -0.11 0.00 1.54 0.00 0.00 36.73 38.70 2wxp h TYR 671 CO -0.15 0.21 0.56 0.00 -1.64 0.00 0.00 178.16 177.14 2wxp h ARG 673 N 0.71 1.23 0.00 0.00 2.47 -0.54 -0.72 114.38 117.53 2wxp h ARG 673 Ca 0.55 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 2wxp h ARG 673 Cb 0.86 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2wxp h ARG 673 CO -0.39 0.88 0.00 0.41 0.56 0.00 0.00 179.97 181.43 2wxp n GLY 674 N -1.19 -0.99 3.11 0.04 0.00 0.32 -4.52 105.19 101.96 2wxp n GLY 674 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2wxp n GLY 674 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wxp s SER 675 N -2.78 -1.26 0.20 1.61 0.15 -0.28 -4.38 113.70 106.95 2wxp s SER 675 Ca 0.13 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 2wxp s SER 675 Cb 0.12 1.62 0.12 0.00 -1.71 0.00 0.00 66.02 66.17 2wxp s SER 675 CO 0.30 -0.14 1.86 0.74 1.20 0.00 0.00 173.24 177.20 2wxp h THR 676 N 4.65 1.16 -0.30 6.45 2.02 -1.77 -2.29 112.91 122.83 2wxp h THR 676 Ca 0.03 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2wxp h THR 676 Cb 1.19 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2wxp h THR 676 CO 0.06 0.16 0.01 -0.74 0.37 0.00 0.00 175.52 175.38 2wxp h HIS 677 N 0.89 0.58 -0.03 3.16 -0.00 -1.79 -2.78 115.15 115.17 2wxp h HIS 677 Ca 0.24 -0.10 -0.09 0.00 -0.00 0.00 0.00 60.37 60.43 2wxp h HIS 677 Cb -0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 2wxp h HIS 677 CO -0.03 0.66 -0.40 1.25 -0.00 0.00 0.00 177.93 179.40 2wxp h HIS 678 N 0.33 0.06 -0.59 5.26 -0.00 -1.90 -1.23 115.15 117.08 2wxp h HIS 678 Ca 0.09 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.53 2wxp h HIS 678 Cb 0.42 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.75 2wxp h HIS 678 CO 0.03 0.45 0.21 1.98 -0.00 0.00 0.00 177.93 180.61 2wxp h MET 679 N 0.05 0.38 0.00 5.26 -1.53 -1.26 0.11 114.93 117.93 2wxp h MET 679 Ca 0.00 -0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.16 2wxp h MET 679 Cb 0.74 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 2wxp h MET 679 CO 0.05 0.25 -0.37 0.87 0.14 0.00 0.00 176.91 177.86 2wxp h LYS 680 N 0.39 0.00 -0.06 0.39 1.57 -0.98 -1.75 116.57 116.13 2wxp h LYS 680 Ca 0.30 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.84 2wxp h LYS 680 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 2wxp h LYS 680 CO -0.31 0.37 -0.92 0.28 -0.57 0.00 0.00 179.45 178.30 2wxp h VAL 681 N 0.00 1.31 -0.36 0.50 2.07 -0.51 -2.87 116.25 116.39 2wxp h VAL 681 Ca -0.00 -2.18 -0.11 0.00 0.82 0.00 0.00 66.70 65.22 2wxp h VAL 681 Cb 0.65 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2wxp h VAL 681 CO 0.05 0.68 -0.23 -0.07 0.02 0.00 0.00 177.57 178.01 2wxp h LEU 682 N 0.40 0.73 -0.31 2.57 3.38 -0.59 -2.33 115.31 119.16 2wxp h LEU 682 Ca -0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2wxp h LEU 682 Cb 1.55 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2wxp h LEU 682 CO 0.18 0.95 0.10 0.24 0.09 0.00 0.00 178.44 179.99 2wxp h MET 683 N 0.63 0.48 -0.76 1.13 2.86 -1.32 0.28 114.93 118.24 2wxp h MET 683 Ca 0.09 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 2wxp h MET 683 Cb 0.73 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.23 2wxp h MET 683 CO 0.06 0.52 0.34 -0.22 1.06 0.00 0.00 176.91 178.66 2wxp h LYS 684 N 0.35 0.50 -0.51 1.72 1.63 -1.46 0.69 116.57 119.49 2wxp h LYS 684 Ca 0.10 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2wxp h LYS 684 Cb 0.24 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2wxp h LYS 684 CO -0.00 0.33 0.26 1.96 -3.45 0.00 0.00 179.45 178.54 2wxp h GLN 685 N 0.51 0.72 -0.31 1.90 4.20 -0.67 -2.51 115.11 118.96 2wxp h GLN 685 Ca 0.41 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 2wxp h GLN 685 Cb 0.57 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2wxp h GLN 685 CO -0.36 0.59 -0.03 0.78 -0.67 0.00 0.00 178.83 179.14 2wxp h GLY 686 N 0.68 0.52 1.03 3.46 0.00 0.16 -2.15 103.07 106.76 2wxp h GLY 686 Ca 0.18 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2wxp h GLY 686 CO -0.02 0.29 0.29 0.83 0.00 0.00 0.00 176.54 177.92 2wxp h GLU 687 N 0.46 1.09 -0.43 4.80 5.08 0.40 0.48 114.58 126.45 2wxp h GLU 687 Ca 0.10 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2wxp h GLU 687 Cb 0.35 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2wxp h GLU 687 CO 0.01 0.89 0.11 0.00 -1.00 0.00 0.00 179.01 179.02 2wxp h ALA 688 N 1.14 0.57 -0.37 3.43 0.00 -1.17 -2.29 119.26 120.57 2wxp h ALA 688 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wxp h ALA 688 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2wxp h ALA 688 CO -0.02 0.25 0.05 -0.07 0.00 0.00 0.00 179.25 179.46 2wxp h LEU 689 N 0.56 0.52 -0.49 0.00 3.38 -1.15 -1.50 115.31 116.62 2wxp h LEU 689 Ca 0.14 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2wxp h LEU 689 Cb 0.32 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2wxp h LEU 689 CO 0.00 0.55 0.13 -1.28 0.09 0.00 0.00 178.44 177.94 2wxp h SER 690 N 0.54 0.74 -0.25 -0.43 0.87 -0.79 -2.59 113.55 111.64 2wxp h SER 690 Ca 0.12 -0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 60.33 2wxp h SER 690 Cb 0.28 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2wxp h SER 690 CO 0.00 0.77 -0.29 0.11 -0.53 0.00 0.00 176.83 176.89 2wxp h LYS 691 N 0.67 0.75 -0.76 2.24 1.79 -0.95 -2.62 116.57 117.69 2wxp h LYS 691 Ca 0.16 -0.33 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 2wxp h LYS 691 Cb 0.31 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 2wxp h LYS 691 CO -0.00 0.95 0.31 -0.07 -1.08 0.00 0.00 179.45 179.55 2wxp h LEU 692 N 0.64 1.04 -0.19 2.94 3.38 -1.30 0.90 115.31 122.73 2wxp h LEU 692 Ca 0.08 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2wxp h LEU 692 Cb 0.81 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2wxp h LEU 692 CO 0.07 0.92 0.05 0.50 0.09 0.00 0.00 178.44 180.07 2wxp h LYS 693 N 1.11 0.13 -0.61 1.13 1.63 -1.27 0.73 116.57 119.41 2wxp h LYS 693 Ca 0.26 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.99 2wxp h LYS 693 Cb 0.20 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 2wxp h LYS 693 CO -0.02 0.09 0.15 0.00 -3.45 0.00 0.00 179.45 176.21 2wxp h ALA 694 N 1.12 1.11 -0.24 5.00 0.00 -1.07 -0.74 119.26 124.45 2wxp h ALA 694 Ca 0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2wxp h ALA 694 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wxp h ALA 694 CO -0.10 0.60 -0.57 1.25 0.00 0.00 0.00 179.25 180.43 2wxp h LEU 695 N 0.92 0.84 -1.03 0.00 5.85 0.05 -2.50 115.31 119.45 2wxp h LEU 695 Ca 0.20 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2wxp h LEU 695 Cb 0.33 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2wxp h LEU 695 CO -0.00 1.23 0.48 -1.13 -0.34 0.00 0.00 178.44 178.68 2wxp h ASN 696 N 0.57 1.03 -0.71 1.25 -0.73 0.69 -2.00 115.58 115.69 2wxp h ASN 696 Ca 0.01 -0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.07 2wxp h ASN 696 Cb 1.16 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.45 2wxp h ASN 696 CO 0.12 0.81 0.32 0.44 -0.37 0.00 0.00 177.43 178.75 2wxp h ASP 697 N 1.17 0.94 -0.46 1.15 3.32 -0.80 -1.07 116.42 120.67 2wxp h ASP 697 Ca 0.30 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.23 2wxp h ASP 697 Cb -0.01 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2wxp h ASP 697 CO -0.05 0.83 0.26 0.15 -1.72 0.00 0.00 179.24 178.71 2wxp h PHE 698 N 1.00 0.49 -0.44 4.55 3.57 -1.25 -2.13 116.94 122.73 2wxp h PHE 698 Ca 0.24 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2wxp h PHE 698 Cb 0.15 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2wxp h PHE 698 CO 0.01 0.27 -0.05 0.28 -2.23 0.00 0.00 178.31 176.59 2wxp h VAL 699 N 0.52 1.27 -0.16 1.41 2.07 -0.91 0.39 116.25 120.83 2wxp h VAL 699 Ca 0.19 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.64 2wxp h VAL 699 Cb 0.05 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 2wxp h VAL 699 CO -0.10 0.38 -0.21 0.11 0.02 0.00 0.00 177.57 177.77 2wxp h LYS 700 N 0.64 -0.24 0.52 1.57 1.57 -1.15 0.36 116.57 119.84 2wxp h LYS 700 Ca 0.12 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2wxp h LYS 700 Cb 0.56 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2wxp h LYS 700 CO 0.03 -0.16 -0.25 0.28 -0.57 0.00 0.00 179.45 178.78 2wxp h VAL 701 N -0.25 0.48 -0.73 0.50 2.07 -0.89 -3.21 116.25 114.22 2wxp h VAL 701 Ca 0.11 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2wxp h VAL 701 Cb 0.41 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 2wxp h VAL 701 CO -0.31 0.02 0.32 -1.28 0.02 0.00 0.00 177.57 176.34 2wxp h SER 702 N -0.77 0.35 0.45 0.57 0.87 -0.08 -2.19 113.55 112.76 2wxp h SER 702 Ca -0.07 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2wxp h SER 702 Cb 0.57 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2wxp h SER 702 CO 0.12 0.17 -0.15 0.77 -0.53 0.00 0.00 176.83 177.21 2wxp h SER 703 N 0.51 0.00 0.91 6.23 4.64 -0.95 -0.03 113.55 124.86 2wxp h SER 703 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2wxp h SER 703 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2wxp h SER 703 CO -0.34 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 175.77 2wxp n GLN 704 N -3.63 0.12 0.00 4.77 1.13 -0.83 -4.06 117.38 114.88 2wxp n GLN 704 Ca -0.01 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 2wxp n GLN 704 Cb 0.28 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.95 2wxp n GLN 704 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wxp n LYS 705 N -1.89 4.37 -4.01 -1.09 5.02 -0.11 -5.10 118.16 115.36 2wxp n LYS 705 Ca 0.04 -0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 2wxp n LYS 705 Cb 0.29 -0.59 -0.04 0.00 -0.02 0.00 0.00 35.03 34.67 2wxp n LYS 705 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2wxp s THR 706 N -0.66 0.00 0.52 -0.18 -1.32 -0.67 -5.11 115.64 108.21 2wxp s THR 706 Ca 0.00 -1.43 -0.17 0.00 -1.21 0.00 0.00 61.69 58.88 2wxp s THR 706 Cb 0.00 -2.45 -0.08 0.00 -1.51 0.00 0.00 72.50 68.46 2wxp s THR 706 CO 0.00 0.00 1.00 0.42 -2.21 0.00 0.00 174.62 173.83 2wxp s THR 707 N -3.45 4.37 0.21 5.08 -4.23 -1.26 -4.70 115.64 111.66 2wxp s THR 707 Ca 0.25 1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 61.84 2wxp s THR 707 Cb -0.01 -3.64 0.16 0.00 1.34 0.00 0.00 72.50 70.35 2wxp s THR 707 CO 0.13 -0.60 1.70 0.50 -0.54 0.00 0.00 174.62 175.81 2wxp h LYS 708 N 0.97 0.24 -0.90 3.99 3.64 -1.96 -0.92 116.57 121.63 2wxp h LYS 708 Ca -0.47 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.03 2wxp h LYS 708 Cb 1.19 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 2wxp h LYS 708 CO 0.61 0.16 0.51 -1.35 -2.27 0.00 0.00 179.45 177.10 2wxp h PRO 709 N 0.24 0.72 -0.33 1.90 0.11 -2.00 -1.17 132.00 131.48 2wxp h PRO 709 Ca 0.31 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 2wxp h PRO 709 Cb 0.46 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2wxp h PRO 709 CO -0.41 0.48 -0.35 1.96 -0.21 0.00 0.00 178.00 179.47 2wxp h GLN 710 N 0.74 0.74 -0.46 1.05 4.20 -1.57 -2.04 115.11 117.77 2wxp h GLN 710 Ca 0.48 -0.36 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 2wxp h GLN 710 Cb 0.61 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2wxp h GLN 710 CO -0.33 0.98 -0.24 1.15 -0.67 0.00 0.00 178.83 179.72 2wxp h THR 711 N 0.62 1.27 -0.19 -0.54 2.02 -0.81 -2.13 112.91 113.15 2wxp h THR 711 Ca 0.06 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 2wxp h THR 711 Cb 0.88 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2wxp h THR 711 CO 0.08 0.48 0.05 0.50 0.37 0.00 0.00 175.52 177.00 2wxp h LYS 712 N 0.83 0.30 -0.74 6.66 3.64 -1.13 0.33 116.57 126.47 2wxp h LYS 712 Ca 0.10 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2wxp h LYS 712 Cb 0.82 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 2wxp h LYS 712 CO 0.07 0.42 0.43 1.49 -2.27 0.00 0.00 179.45 179.59 2wxp h GLU 713 N 0.13 0.76 -0.08 1.90 4.57 -1.36 -0.94 114.58 119.55 2wxp h GLU 713 Ca 0.06 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.04 2wxp h GLU 713 Cb 0.25 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2wxp h GLU 713 CO -0.00 0.50 -0.64 0.52 -1.18 0.00 0.00 179.01 178.21 2wxp h MET 714 N 0.78 0.30 -0.53 1.92 2.86 -1.00 -1.83 114.93 117.42 2wxp h MET 714 Ca 0.33 -0.22 0.10 0.00 -2.06 0.00 0.00 59.70 57.85 2wxp h MET 714 Cb 0.19 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.80 2wxp h MET 714 CO -0.18 0.84 0.02 1.98 1.06 0.00 0.00 176.91 180.63 2wxp h MET 715 N 0.22 0.14 -0.34 1.72 1.85 -0.10 -0.50 114.93 117.92 2wxp h MET 715 Ca -0.01 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.08 2wxp h MET 715 Cb 1.17 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.15 2wxp h MET 715 CO 0.10 0.09 0.21 0.45 -0.40 0.00 0.00 176.91 177.37 2wxp h HIS 716 N 0.14 0.40 -0.24 1.39 -0.00 -0.82 0.10 115.15 116.12 2wxp h HIS 716 Ca 0.27 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.71 2wxp h HIS 716 Cb 0.42 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 2wxp h HIS 716 CO -0.31 0.25 -0.12 0.52 -0.00 0.00 0.00 177.93 178.27 2wxp h MET 717 N 0.43 -0.08 -0.66 2.45 2.86 -1.18 0.95 114.93 119.70 2wxp h MET 717 Ca 0.13 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2wxp h MET 717 Cb -0.03 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 2wxp h MET 717 CO -0.04 -0.05 0.35 0.00 1.06 0.00 0.00 176.91 178.22 2wxp h MET 719 N 0.62 0.05 0.00 0.00 2.86 -0.38 -2.89 114.93 115.19 2wxp h MET 719 Ca 0.31 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2wxp h MET 719 Cb 0.25 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2wxp h MET 719 CO -0.21 0.30 0.00 0.54 1.06 0.00 0.00 176.91 178.60 2wxp n ARG 720 N -4.22 0.43 -2.00 1.72 1.74 0.29 -3.04 116.66 111.58 2wxp n ARG 720 Ca -0.02 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 2wxp n ARG 720 Cb 0.32 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 2wxp n ARG 720 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wxp s GLN 721 N -2.55 3.57 0.14 5.56 -0.21 -1.09 -4.80 119.66 120.29 2wxp s GLN 721 Ca 0.28 2.08 -0.21 0.00 0.02 0.00 0.00 55.36 57.53 2wxp s GLN 721 Cb 0.19 -2.45 0.02 0.00 1.00 0.00 0.00 33.01 31.77 2wxp s GLN 721 CO 0.44 -0.79 1.66 0.93 -2.12 0.00 0.00 175.29 175.41 2wxp h GLU 722 N 2.00 -0.13 -0.86 2.91 5.08 -1.90 -0.66 114.58 121.02 2wxp h GLU 722 Ca -0.50 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.04 2wxp h GLU 722 Cb 1.27 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.44 2wxp h GLU 722 CO 0.60 -0.09 0.41 1.79 -1.00 0.00 0.00 179.01 180.72 2wxp h THR 723 N -0.14 0.63 0.02 1.13 1.35 -1.94 -0.87 112.91 113.09 2wxp h THR 723 Ca 0.13 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2wxp h THR 723 Cb 0.33 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 2wxp h THR 723 CO -0.31 0.10 -0.01 1.88 -0.25 0.00 0.00 175.52 176.93 2wxp h TYR 724 N 0.52 -0.02 -1.00 4.73 -1.99 -1.49 -0.65 116.97 117.07 2wxp h TYR 724 Ca 0.49 -0.00 0.12 0.00 2.00 0.00 0.00 58.73 61.34 2wxp h TYR 724 Cb 0.80 0.01 -0.08 0.00 2.00 0.00 0.00 36.73 39.45 2wxp h TYR 724 CO -0.12 0.61 0.63 0.52 -0.00 0.00 0.00 178.16 179.81 2wxp h MET 725 N -0.68 0.96 0.04 4.88 2.86 -1.01 0.20 114.93 122.18 2wxp h MET 725 Ca -0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2wxp h MET 725 Cb 0.64 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2wxp h MET 725 CO 0.00 0.64 -0.02 1.49 1.06 0.00 0.00 176.91 180.08 2wxp h GLU 726 N 0.99 -0.06 0.00 1.72 4.81 -1.22 -2.78 114.58 118.05 2wxp h GLU 726 Ca 0.49 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 2wxp h GLU 726 Cb 0.48 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2wxp h GLU 726 CO -0.26 0.34 -0.26 0.00 -0.73 0.00 0.00 179.01 178.10 2wxp h ALA 727 N 0.47 1.56 0.00 2.92 0.00 -0.48 -3.24 119.26 120.49 2wxp h ALA 727 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wxp h ALA 727 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wxp h ALA 727 CO 0.01 0.33 -0.62 1.28 0.00 0.00 0.00 179.25 180.24 2wxp n LEU 728 N -4.22 0.60 -4.71 0.00 4.77 0.63 -3.74 117.00 110.34 2wxp n LEU 728 Ca -0.02 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.63 2wxp n LEU 728 Cb 0.31 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2wxp n LEU 728 CO 0.37 0.14 -0.28 -0.44 -1.33 0.00 0.00 177.39 175.84 2wxp s SER 729 N -3.10 4.96 -1.15 -1.43 0.01 -1.05 -4.66 113.70 107.29 2wxp s SER 729 Ca 0.10 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 2wxp s SER 729 Cb 0.17 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 2wxp s SER 729 CO 0.74 0.04 0.96 1.41 0.41 0.00 0.00 173.24 176.80 2wxp n HIS 730 N -0.51 -2.29 -4.46 2.43 8.25 0.43 -4.95 115.22 114.12 2wxp n HIS 730 Ca -0.08 0.90 -0.22 0.00 -0.26 0.00 0.00 57.72 58.06 2wxp n HIS 730 Cb 0.56 -4.71 -0.11 0.00 1.12 0.00 0.00 29.99 26.86 2wxp n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2wxp s LEU 731 N -6.01 2.35 0.26 2.41 2.34 -0.28 -4.99 118.68 114.76 2wxp s LEU 731 Ca 0.17 -1.32 -0.19 0.00 0.06 0.00 0.00 54.13 52.85 2wxp s LEU 731 Cb -0.02 -0.51 -0.09 0.00 -0.56 0.00 0.00 46.19 45.01 2wxp s LEU 731 CO 0.74 -0.51 0.75 -1.10 -1.06 0.00 0.00 176.35 175.16 2wxp s GLN 732 N -3.82 4.21 0.07 1.48 -0.21 -1.26 0.38 119.66 120.51 2wxp s GLN 732 Ca 0.34 0.86 -0.30 0.00 0.02 0.00 0.00 55.36 56.28 2wxp s GLN 732 Cb 0.07 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 31.29 2wxp s GLN 732 CO 0.15 0.32 1.03 0.45 -2.12 0.00 0.00 175.29 175.12 2wxp s SER 733 N -1.81 7.34 0.49 5.90 0.15 -0.21 -4.84 113.70 120.72 2wxp s SER 733 Ca 0.47 1.84 0.23 0.00 0.70 0.00 0.00 55.95 59.18 2wxp s SER 733 Cb -0.15 -2.58 1.27 0.00 -1.71 0.00 0.00 66.02 62.85 2wxp s SER 733 CO 0.20 -0.23 2.03 -0.65 1.20 0.00 0.00 173.24 175.79 2wxp h PRO 734 N 6.14 0.00 0.00 5.44 0.11 -1.96 -1.53 132.00 140.21 2wxp h PRO 734 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2wxp h PRO 734 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wxp h PRO 734 CO 0.75 0.15 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.52 2wxp h LEU 735 N 0.00 0.00 -6.00 2.35 3.38 -1.95 -3.43 115.31 109.67 2wxp h LEU 735 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.14 2wxp h LEU 735 Cb 0.35 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.91 2wxp h LEU 735 CO 0.02 0.10 -0.08 -0.62 0.09 0.00 0.00 178.44 177.95 2wxp s ASP 736 N -6.24 -0.71 0.31 -0.43 2.15 -0.60 -4.88 116.67 106.28 2wxp s ASP 736 Ca -0.03 0.13 0.20 0.00 0.43 0.00 0.00 52.55 53.28 2wxp s ASP 736 Cb 0.14 1.47 1.11 0.00 -0.30 0.00 0.00 42.92 45.33 2wxp s ASP 736 CO 0.59 -0.13 1.62 -0.81 -0.17 0.00 0.00 175.17 176.27 2wxp n PRO 737 N 5.23 0.13 0.01 4.34 -0.04 -1.09 -1.06 135.00 142.52 2wxp n PRO 737 Ca 0.06 0.63 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 2wxp n PRO 737 Cb 0.56 -1.95 0.32 0.00 -0.04 0.00 0.00 33.50 32.40 2wxp n PRO 737 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wxp n SER 738 N -2.22 0.44 -4.68 3.54 3.41 -1.26 -4.57 113.62 108.28 2wxp n SER 738 Ca -0.01 0.01 -0.40 0.00 -0.26 0.00 0.00 58.87 58.20 2wxp n SER 738 Cb 0.04 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 2wxp n SER 738 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wxp s THR 739 N -3.03 5.01 -0.22 6.66 2.01 -0.23 -0.16 115.64 125.68 2wxp s THR 739 Ca 0.11 1.31 -0.12 0.00 0.31 0.00 0.00 61.69 63.29 2wxp s THR 739 Cb 0.17 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2wxp s THR 739 CO 0.66 0.13 0.23 -0.76 -0.69 0.00 0.00 174.62 174.20 2wxp s LEU 740 N 1.67 4.14 -0.51 4.42 1.43 -1.26 -1.04 118.68 127.53 2wxp s LEU 740 Ca 0.32 0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2wxp s LEU 740 Cb -0.16 -2.24 0.10 0.00 0.03 0.00 0.00 46.19 43.92 2wxp s LEU 740 CO 0.12 0.04 0.44 -0.76 0.23 0.00 0.00 176.35 176.42 2wxp s LEU 741 N 1.03 5.91 0.00 1.79 1.43 0.16 -4.93 118.68 124.07 2wxp s LEU 741 Ca 0.11 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 2wxp s LEU 741 Cb -0.14 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.90 2wxp s LEU 741 CO 0.05 -0.76 0.00 -0.62 0.23 0.00 0.00 176.35 175.25 2wxp n GLU 742 N 5.21 0.00 -3.02 1.70 -0.58 -1.26 -1.13 120.64 121.56 2wxp n GLU 742 Ca -0.13 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.20 2wxp n GLU 742 Cb 0.42 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.23 2wxp n GLU 742 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wxp s GLU 743 N 0.42 4.19 0.29 3.49 1.03 -0.72 -0.43 118.70 126.98 2wxp s GLU 743 Ca 0.00 0.75 -0.29 0.00 0.03 0.00 0.00 54.97 55.45 2wxp s GLU 743 Cb 0.00 -3.61 -0.10 0.00 -0.80 0.00 0.00 34.13 29.61 2wxp s GLU 743 CO 0.00 -0.37 1.37 0.54 -1.33 0.00 0.00 175.26 175.47 2wxp s VAL 744 N 2.35 2.67 -0.79 1.83 0.11 -1.26 -1.00 120.40 124.31 2wxp s VAL 744 Ca 0.31 0.62 -0.10 0.00 -2.93 0.00 0.00 61.98 59.88 2wxp s VAL 744 Cb -0.16 -3.40 0.21 0.00 -1.53 0.00 0.00 36.38 31.50 2wxp s VAL 744 CO 0.09 0.13 0.70 0.00 -3.33 0.00 0.00 175.10 172.69 2wxp h VAL 746 N 4.81 1.23 -0.09 0.00 2.07 -1.93 -2.13 116.25 120.21 2wxp h VAL 746 Ca 0.08 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2wxp h VAL 746 Cb 1.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2wxp h VAL 746 CO 0.76 0.23 0.01 -0.33 0.02 0.00 0.00 177.57 178.25 2wxp h GLU 747 N 1.16 0.13 -0.02 1.57 4.39 -1.97 -1.28 114.58 118.55 2wxp h GLU 747 Ca 0.31 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2wxp h GLU 747 Cb -0.09 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2wxp h GLU 747 CO -0.06 0.14 -0.02 1.04 -1.16 0.00 0.00 179.01 178.95 2wxp n GLN 748 N -4.46 2.04 -3.07 2.33 1.13 -0.82 -4.90 117.38 109.62 2wxp n GLN 748 Ca -0.02 -1.53 -0.34 0.00 -1.94 0.00 0.00 57.00 53.17 2wxp n GLN 748 Cb 0.13 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.95 2wxp n GLN 748 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxp n THR 750 N 0.02 0.00 -3.81 0.00 5.66 -0.19 -4.97 114.28 111.00 2wxp n THR 750 Ca 0.02 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.91 2wxp n THR 750 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 2wxp n THR 750 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wxp s PHE 751 N -2.03 -0.01 0.58 1.09 -0.12 -1.26 -1.24 117.98 115.00 2wxp s PHE 751 Ca 0.00 -0.19 -0.06 0.00 -0.05 0.00 0.00 56.93 56.63 2wxp s PHE 751 Cb 0.00 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 2wxp s PHE 751 CO 0.00 -0.46 0.90 -1.64 -0.05 0.00 0.00 175.22 173.97 2wxp s MET 752 N -2.60 3.02 0.00 1.99 -1.94 0.41 -4.94 119.30 115.25 2wxp s MET 752 Ca -0.05 0.07 0.26 0.00 -1.71 0.00 0.00 55.69 54.26 2wxp s MET 752 Cb -0.01 -2.27 0.57 0.00 2.01 0.00 0.00 34.83 35.14 2wxp s MET 752 CO -0.04 -0.64 1.45 -0.25 -0.01 0.00 0.00 175.02 175.53 2wxp n ASP 753 N -2.57 1.47 -4.74 3.03 10.43 -1.26 -4.01 116.55 118.90 2wxp n ASP 753 Ca 0.04 -1.21 -0.29 0.00 2.57 0.00 0.00 54.79 55.91 2wxp n ASP 753 Cb 0.57 0.19 0.15 0.00 1.84 0.00 0.00 41.12 43.87 2wxp n ASP 753 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2wxp s SER 754 N -2.39 3.25 0.26 -2.24 1.04 -1.26 -4.83 113.70 107.54 2wxp s SER 754 Ca 0.25 1.15 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 2wxp s SER 754 Cb 0.19 -1.79 0.55 0.00 0.10 0.00 0.00 66.02 65.07 2wxp s SER 754 CO 0.49 -2.73 1.65 0.50 0.98 0.00 0.00 173.24 174.13 2wxp h LYS 755 N -1.62 0.18 -0.03 4.02 3.64 -2.03 0.42 116.57 121.15 2wxp h LYS 755 Ca -0.52 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2wxp h LYS 755 Cb 1.32 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2wxp h LYS 755 CO 0.59 0.12 0.00 -1.33 -2.27 0.00 0.00 179.45 176.56 2wxp n MET 756 N -5.25 1.33 -3.85 1.90 2.81 -1.26 -4.95 117.12 107.85 2wxp n MET 756 Ca 0.17 -0.49 -0.34 0.00 -1.81 0.00 0.00 57.70 55.23 2wxp n MET 756 Cb 0.56 -1.45 0.02 0.00 -0.71 0.00 0.00 33.22 31.64 2wxp n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wxp n LYS 757 N -0.38 -1.42 -2.10 0.03 4.01 0.15 -4.70 118.16 113.75 2wxp n LYS 757 Ca 0.20 0.35 -0.37 0.00 -0.51 0.00 0.00 58.31 57.97 2wxp n LYS 757 Cb 0.22 -3.83 0.01 0.00 -0.51 0.00 0.00 35.03 30.92 2wxp n LYS 757 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 2wxp s PRO 758 N -6.48 3.50 0.17 1.97 0.02 -1.26 -4.62 135.00 128.31 2wxp s PRO 758 Ca 0.37 1.90 -0.14 0.00 0.02 0.00 0.00 61.00 63.15 2wxp s PRO 758 Cb -0.15 -2.31 -0.07 0.00 0.02 0.00 0.00 34.50 31.99 2wxp s PRO 758 CO 0.90 -0.80 0.57 -0.51 -0.33 0.00 0.00 177.00 176.83 2wxp s LEU 759 N -3.28 4.30 -0.28 -5.54 1.43 0.33 -0.44 118.68 115.20 2wxp s LEU 759 Ca 0.67 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 2wxp s LEU 759 Cb -0.32 -3.39 0.07 0.00 0.03 0.00 0.00 46.19 42.59 2wxp s LEU 759 CO 0.38 0.06 -0.05 0.86 0.23 0.00 0.00 176.35 177.83 2wxp s TRP 760 N -1.54 3.21 -0.14 0.29 -0.11 -0.37 -0.87 118.94 119.41 2wxp s TRP 760 Ca 0.40 -2.40 0.01 0.00 1.22 0.00 0.00 56.10 55.33 2wxp s TRP 760 Cb -0.14 -2.13 -0.01 0.00 -1.50 0.00 0.00 33.47 29.69 2wxp s TRP 760 CO 0.19 -0.88 -0.16 0.42 -4.62 0.00 0.00 176.95 171.91 2wxp s ILE 761 N 1.11 2.70 0.08 5.86 -1.09 -0.13 -1.02 121.20 128.71 2wxp s ILE 761 Ca -0.02 -0.77 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2wxp s ILE 761 Cb -0.19 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 2wxp s ILE 761 CO -0.07 0.52 0.06 -0.04 -1.23 0.00 0.00 174.94 174.19 2wxp s MET 762 N 0.60 2.81 0.09 2.79 -1.94 -1.26 -1.10 119.30 121.28 2wxp s MET 762 Ca -0.09 -0.71 0.04 0.00 -1.71 0.00 0.00 55.69 53.22 2wxp s MET 762 Cb -0.16 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.96 2wxp s MET 762 CO 0.03 0.57 -0.11 0.71 -0.01 0.00 0.00 175.02 176.21 2wxp s TYR 763 N -1.35 1.06 0.21 -0.03 2.02 -0.49 -0.23 117.35 118.53 2wxp s TYR 763 Ca 0.28 -0.59 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2wxp s TYR 763 Cb -0.12 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 2wxp s TYR 763 CO 0.20 0.01 0.11 -1.54 -1.57 0.00 0.00 175.55 172.76 2wxp s SER 764 N -2.21 0.52 -0.29 2.29 1.04 -0.17 -2.56 113.70 112.32 2wxp s SER 764 Ca 0.02 -1.36 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 2wxp s SER 764 Cb -0.05 0.30 0.16 0.00 0.10 0.00 0.00 66.02 66.53 2wxp s SER 764 CO 0.01 -0.79 0.57 -0.55 0.98 0.00 0.00 173.24 173.46 2wxp s SER 765 N -3.20 -1.03 0.17 7.02 0.15 -1.21 -1.75 113.70 113.85 2wxp s SER 765 Ca 0.37 0.95 -0.18 0.00 0.70 0.00 0.00 55.95 57.78 2wxp s SER 765 Cb 0.07 2.00 0.10 0.00 -1.71 0.00 0.00 66.02 66.48 2wxp s SER 765 CO 0.11 -0.26 1.65 -0.33 1.20 0.00 0.00 173.24 175.61 2wxp h GLU 766 N 8.04 -0.08 0.00 5.44 5.08 -1.94 -2.63 114.58 128.48 2wxp h GLU 766 Ca -0.21 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2wxp h GLU 766 Cb 1.14 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2wxp h GLU 766 CO 0.22 -0.05 -0.10 1.49 -1.00 0.00 0.00 179.01 179.57 2wxp h GLU 767 N -0.08 0.00 0.00 2.33 4.57 -1.97 -1.99 114.58 117.45 2wxp h GLU 767 Ca 0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2wxp h GLU 767 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2wxp h GLU 767 CO -0.46 0.10 -0.73 0.00 -1.18 0.00 0.00 179.01 176.74 2wxp n ALA 768 N -2.17 3.07 -0.92 2.92 0.00 -1.07 -3.44 120.51 118.91 2wxp n ALA 768 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2wxp n ALA 768 Cb 0.32 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2wxp n ALA 768 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxp n GLY 769 N 1.35 0.87 0.55 0.00 0.00 -0.75 -3.55 105.19 103.65 2wxp n GLY 769 Ca 0.03 -0.71 0.35 0.00 0.00 0.00 0.00 46.02 45.69 2wxp n GLY 769 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wxp h SER 770 N 6.42 0.00 1.50 1.61 0.02 -1.91 0.35 113.55 121.55 2wxp h SER 770 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wxp h SER 770 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wxp h SER 770 CO 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 176.83 175.55 2wxp h ALA 771 N 1.12 0.91 0.00 3.77 0.00 -1.93 -2.76 119.26 120.36 2wxp h ALA 771 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2wxp h ALA 771 Cb 2.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.36 2wxp h ALA 771 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2wxp n GLY 772 N 1.25 -0.96 3.46 0.00 0.00 0.12 -4.66 105.19 104.40 2wxp n GLY 772 Ca 0.05 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 2wxp n GLY 772 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxp s ASN 773 N -2.42 6.24 0.07 1.61 0.01 -1.04 -3.35 114.94 116.06 2wxp s ASN 773 Ca 0.26 -0.83 -0.01 0.00 -0.71 0.00 0.00 52.86 51.56 2wxp s ASN 773 Cb 0.16 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 2wxp s ASN 773 CO 0.33 -1.03 -0.01 0.68 -1.51 0.00 0.00 177.10 175.56 2wxp s VAL 774 N 3.04 0.20 0.02 1.60 -7.23 -1.06 -4.99 120.40 111.98 2wxp s VAL 774 Ca 0.19 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2wxp s VAL 774 Cb -0.18 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 2wxp s VAL 774 CO 0.13 -0.90 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.14 2wxp s GLY 775 N -2.94 0.32 0.11 2.32 0.00 -1.26 -1.40 107.32 104.47 2wxp s GLY 775 Ca 0.10 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.42 2wxp s GLY 775 CO -0.08 -0.48 -0.16 -0.26 0.00 0.00 0.00 173.10 172.12 2wxp s ILE 776 N -0.80 1.39 -0.11 0.90 -4.36 -0.26 -0.98 121.20 116.98 2wxp s ILE 776 Ca -0.06 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 2wxp s ILE 776 Cb -0.06 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 42.17 2wxp s ILE 776 CO -0.00 -0.31 -0.15 -0.63 0.24 0.00 0.00 174.94 174.10 2wxp s ILE 777 N -1.78 2.95 -0.21 8.37 1.01 0.12 -0.96 121.20 130.70 2wxp s ILE 777 Ca 0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 2wxp s ILE 777 Cb -0.07 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2wxp s ILE 777 CO 0.03 0.54 -0.03 0.12 0.00 0.00 0.00 174.94 175.61 2wxp s PHE 778 N 0.07 2.97 -0.08 3.97 5.36 -0.05 -0.94 117.98 129.29 2wxp s PHE 778 Ca -0.06 -0.80 0.04 0.00 -0.96 0.00 0.00 56.93 55.15 2wxp s PHE 778 Cb -0.15 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.44 2wxp s PHE 778 CO 0.05 -0.46 -0.20 0.21 -1.46 0.00 0.00 175.22 173.35 2wxp s LYS 779 N 1.34 2.44 -0.07 10.12 2.20 -0.97 -0.51 119.74 134.28 2wxp s LYS 779 Ca 0.04 -0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2wxp s LYS 779 Cb -0.14 -1.94 0.02 0.00 -1.51 0.00 0.00 37.83 34.27 2wxp s LYS 779 CO -0.01 0.18 -0.03 1.21 -0.36 0.00 0.00 175.35 176.33 2wxp s ASN 780 N 0.30 1.58 0.00 1.43 2.47 -1.26 -2.36 114.94 117.09 2wxp s ASN 780 Ca -0.13 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 52.99 2wxp s ASN 780 Cb -0.16 -0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.09 2wxp s ASN 780 CO 0.06 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 2wxp n GLY 781 N 4.77 2.35 3.76 1.21 0.00 0.82 -4.87 105.19 113.23 2wxp n GLY 781 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2wxp n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wxp s ASP 782 N -1.87 4.97 -0.20 1.61 1.01 -1.24 -5.00 116.67 115.95 2wxp s ASP 782 Ca 0.00 -0.56 -0.16 0.00 0.71 0.00 0.00 52.55 52.54 2wxp s ASP 782 Cb 0.00 -0.96 -0.04 0.00 1.01 0.00 0.00 42.92 42.93 2wxp s ASP 782 CO 0.00 -0.18 0.41 -0.62 0.21 0.00 0.00 175.17 174.99 2wxp s ASP 783 N -3.84 6.45 0.00 0.27 -1.08 -1.26 -4.14 116.67 113.07 2wxp s ASP 783 Ca 0.36 0.53 0.18 0.00 -0.52 0.00 0.00 52.55 53.10 2wxp s ASP 783 Cb -0.05 -2.24 -0.01 0.00 -1.46 0.00 0.00 42.92 39.16 2wxp s ASP 783 CO 0.23 -0.09 0.94 0.18 0.52 0.00 0.00 175.17 176.95 2wxp n LEU 784 N 4.50 1.77 -0.25 -1.34 4.77 -1.26 -4.65 117.00 120.54 2wxp n LEU 784 Ca -0.08 -0.76 -0.06 0.00 -0.03 0.00 0.00 56.01 55.08 2wxp n LEU 784 Cb 0.51 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.65 2wxp n LEU 784 CO 0.40 0.34 1.11 0.03 -1.33 0.00 0.00 177.39 177.93 2wxp h ARG 785 N 2.03 0.96 -0.60 3.23 3.08 -1.98 -0.68 114.38 120.41 2wxp h ARG 785 Ca 0.00 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2wxp h ARG 785 Cb 0.62 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2wxp h ARG 785 CO 0.00 0.71 0.13 0.37 -1.07 0.00 0.00 179.97 180.11 2wxp h GLN 786 N 0.95 0.97 -0.54 0.04 4.15 -1.91 -1.66 115.11 117.12 2wxp h GLN 786 Ca 0.25 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 2wxp h GLN 786 Cb 0.02 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 2wxp h GLN 786 CO -0.04 0.90 0.09 -0.44 -1.93 0.00 0.00 178.83 177.41 2wxp h ASP 787 N 0.88 0.86 -0.46 -0.69 5.19 -1.66 -1.43 116.42 119.12 2wxp h ASP 787 Ca 0.19 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.31 2wxp h ASP 787 Cb 0.38 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 2wxp h ASP 787 CO 0.01 0.90 0.19 -0.03 -3.12 0.00 0.00 179.24 177.18 2wxp h MET 788 N 0.78 0.68 -0.28 3.56 4.05 -0.92 -0.92 114.93 121.88 2wxp h MET 788 Ca 0.16 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2wxp h MET 788 Cb 0.41 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2wxp h MET 788 CO 0.01 0.62 0.17 1.25 0.23 0.00 0.00 176.91 179.19 2wxp h LEU 789 N 0.60 0.33 -0.30 3.39 5.85 -1.19 -0.60 115.31 123.38 2wxp h LEU 789 Ca 0.15 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2wxp h LEU 789 Cb 0.19 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2wxp h LEU 789 CO -0.01 0.27 0.19 0.74 -0.34 0.00 0.00 178.44 179.28 2wxp h THR 790 N 0.36 1.09 -0.28 1.05 2.02 -1.09 -1.78 112.91 114.28 2wxp h THR 790 Ca 0.10 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 2wxp h THR 790 Cb -0.00 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2wxp h THR 790 CO -0.02 0.09 -0.03 -0.07 0.37 0.00 0.00 175.52 175.86 2wxp h LEU 791 N 0.39 0.40 -0.90 2.58 3.38 -0.94 -1.61 115.31 118.63 2wxp h LEU 791 Ca 0.11 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2wxp h LEU 791 Cb -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2wxp h LEU 791 CO -0.02 0.49 -0.33 1.56 0.09 0.00 0.00 178.44 180.22 2wxp h GLN 792 N 0.41 0.41 -0.27 1.13 4.20 -0.70 -2.22 115.11 118.06 2wxp h GLN 792 Ca 0.09 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 2wxp h GLN 792 Cb 0.32 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2wxp h GLN 792 CO 0.01 0.70 -0.42 0.52 -0.67 0.00 0.00 178.83 178.97 2wxp h MET 793 N 0.35 0.76 -0.31 1.46 2.86 -0.91 -0.24 114.93 118.90 2wxp h MET 793 Ca 0.04 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 2wxp h MET 793 Cb 0.76 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2wxp h MET 793 CO 0.06 1.08 0.17 0.82 1.06 0.00 0.00 176.91 180.11 2wxp h ILE 794 N 0.51 1.13 -0.92 -1.22 2.04 -1.32 -0.81 117.51 116.91 2wxp h ILE 794 Ca 0.03 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2wxp h ILE 794 Cb 1.01 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2wxp h ILE 794 CO 0.10 0.13 0.60 -0.61 0.00 0.00 0.00 178.15 178.37 2wxp h GLN 795 N 0.39 1.16 -0.75 2.37 5.75 -1.32 -1.14 115.11 121.57 2wxp h GLN 795 Ca 0.11 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2wxp h GLN 795 Cb 0.06 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.31 2wxp h GLN 795 CO -0.02 0.77 0.50 1.25 -2.65 0.00 0.00 178.83 178.68 2wxp h LEU 796 N 1.19 0.86 -0.10 -2.39 5.85 -0.73 -1.31 115.31 118.68 2wxp h LEU 796 Ca 0.36 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2wxp h LEU 796 Cb -0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2wxp h LEU 796 CO -0.10 0.62 0.06 0.24 -0.34 0.00 0.00 178.44 178.92 2wxp h MET 797 N 1.02 0.13 -0.80 1.25 2.86 -0.41 -0.78 114.93 118.20 2wxp h MET 797 Ca 0.27 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.06 2wxp h MET 797 Cb -0.12 -0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.41 2wxp h MET 797 CO -0.06 0.09 0.35 0.22 1.06 0.00 0.00 176.91 178.57 2wxp h ASP 798 N 0.13 0.36 -0.32 1.22 3.58 -1.07 0.29 116.42 120.62 2wxp h ASP 798 Ca 0.04 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 2wxp h ASP 798 Cb -0.01 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2wxp h ASP 798 CO -0.01 0.13 0.12 0.58 -2.88 0.00 0.00 179.24 177.18 2wxp h VAL 799 N 0.49 1.19 -0.37 2.25 2.07 -0.43 -0.58 116.25 120.87 2wxp h VAL 799 Ca 0.45 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2wxp h VAL 799 Cb 0.69 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2wxp h VAL 799 CO -0.41 0.20 -0.01 -0.07 0.02 0.00 0.00 177.57 177.30 2wxp h LEU 800 N 0.37 0.65 -0.11 2.57 3.38 -0.10 0.61 115.31 122.68 2wxp h LEU 800 Ca 0.11 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2wxp h LEU 800 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wxp h LEU 800 CO -0.01 0.80 -0.09 -0.50 0.09 0.00 0.00 178.44 178.74 2wxp h TRP 801 N 0.47 -0.21 0.00 1.13 6.55 -0.46 -2.46 115.95 120.97 2wxp h TRP 801 Ca 0.10 0.01 -0.05 0.00 0.95 0.00 0.00 58.89 59.91 2wxp h TRP 801 Cb 0.48 0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.88 2wxp h TRP 801 CO 0.04 -0.14 -0.24 0.87 -1.05 0.00 0.00 178.44 177.92 2wxp h LYS 802 N -0.10 0.00 0.00 0.49 1.57 -0.83 -0.78 116.57 116.92 2wxp h LYS 802 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2wxp h LYS 802 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wxp h LYS 802 CO -0.17 0.24 -0.03 1.96 -0.57 0.00 0.00 179.45 180.88 2wxp h GLN 803 N 0.00 0.00 -0.54 3.15 4.20 -0.41 -0.72 115.11 120.78 2wxp h GLN 803 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2wxp h GLN 803 Cb 0.46 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.17 2wxp h GLN 803 CO 0.03 0.03 0.12 0.39 -0.67 0.00 0.00 178.83 178.73 2wxp n GLU 804 N -3.23 3.41 -1.27 1.46 -0.58 -0.45 -4.95 120.64 115.03 2wxp n GLU 804 Ca -0.02 -3.05 -0.08 0.00 -0.42 0.00 0.00 57.16 53.59 2wxp n GLU 804 Cb 0.19 -2.07 -0.03 0.00 -0.57 0.00 0.00 31.44 28.95 2wxp n GLU 804 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wxp n GLY 805 N -0.29 0.98 3.10 0.62 0.00 -0.28 -5.00 105.19 104.32 2wxp n GLY 805 Ca 0.33 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2wxp n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxp s LEU 806 N -1.88 4.93 -0.43 0.99 2.96 -0.43 -4.98 118.68 119.84 2wxp s LEU 806 Ca 0.00 -1.96 -0.18 0.00 -0.22 0.00 0.00 54.13 51.77 2wxp s LEU 806 Cb 0.00 -1.76 0.03 0.00 0.50 0.00 0.00 46.19 44.96 2wxp s LEU 806 CO 0.00 -0.46 0.49 -0.62 -1.32 0.00 0.00 176.35 174.44 2wxp s ASP 807 N 1.50 6.22 -0.10 3.68 -1.08 -1.26 -2.70 116.67 122.93 2wxp s ASP 807 Ca 0.07 -0.66 0.13 0.00 -0.52 0.00 0.00 52.55 51.57 2wxp s ASP 807 Cb -0.21 -2.25 0.56 0.00 -1.46 0.00 0.00 42.92 39.56 2wxp s ASP 807 CO -0.05 -0.65 1.42 0.18 0.52 0.00 0.00 175.17 176.59 2wxp n LEU 808 N 5.77 3.84 -3.53 -1.34 4.77 -1.26 -4.95 117.00 120.30 2wxp n LEU 808 Ca -0.06 -1.94 -0.19 0.00 -0.03 0.00 0.00 56.01 53.79 2wxp n LEU 808 Cb 0.47 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2wxp n LEU 808 CO 0.48 0.62 0.04 0.54 -1.33 0.00 0.00 177.39 177.75 2wxp n ARG 809 N 0.75 -5.96 -1.46 3.23 5.12 -1.26 -2.22 116.66 114.85 2wxp n ARG 809 Ca 0.20 0.76 -0.30 0.00 -1.93 0.00 0.00 57.85 56.58 2wxp n ARG 809 Cb 0.74 -5.61 0.08 0.00 -1.16 0.00 0.00 32.46 26.52 2wxp n ARG 809 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2wxp s MET 810 N -5.59 2.30 -0.64 5.56 -1.94 -1.26 -4.60 119.30 113.13 2wxp s MET 810 Ca 0.00 0.87 0.06 0.00 -1.71 0.00 0.00 55.69 54.91 2wxp s MET 810 Cb -0.00 -1.92 0.21 0.00 2.01 0.00 0.00 34.83 35.12 2wxp s MET 810 CO 0.76 -1.53 0.59 2.41 -0.01 0.00 0.00 175.02 177.25 2wxp n THR 811 N -3.40 1.59 -2.28 2.05 -1.04 -1.26 -5.02 114.28 104.91 2wxp n THR 811 Ca 0.08 -4.86 -0.40 0.00 -2.04 0.00 0.00 64.05 56.82 2wxp n THR 811 Cb 0.55 -2.10 -0.01 0.00 -1.82 0.00 0.00 70.33 66.94 2wxp n THR 811 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wxp n PRO 812 N 1.51 2.79 -2.87 -2.82 -0.04 -1.26 -4.95 135.00 127.36 2wxp n PRO 812 Ca 0.25 -2.96 -0.32 0.00 -0.04 0.00 0.00 63.50 60.43 2wxp n PRO 812 Cb 0.40 -3.48 -0.05 0.00 -0.04 0.00 0.00 33.50 30.33 2wxp n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wxp s TYR 813 N 5.27 3.40 0.37 0.54 -0.85 -1.26 -5.03 117.35 119.80 2wxp s TYR 813 Ca 0.55 1.30 -0.28 0.00 -0.52 0.00 0.00 57.07 58.13 2wxp s TYR 813 Cb 0.05 -2.62 -0.10 0.00 0.38 0.00 0.00 41.96 39.67 2wxp s TYR 813 CO 0.06 -0.08 1.38 0.20 -1.52 0.00 0.00 175.55 175.59 2wxp s GLY 814 N -2.62 2.96 -0.19 5.49 0.00 -1.26 -4.88 107.32 106.82 2wxp s GLY 814 Ca 0.56 1.38 -0.09 0.00 0.00 0.00 0.00 44.72 46.57 2wxp s GLY 814 CO 0.23 2.03 0.43 0.00 0.00 0.00 0.00 173.10 175.79 2wxp s LEU 816 N 1.73 -0.74 0.38 0.00 2.96 0.26 -4.72 118.68 118.55 2wxp s LEU 816 Ca -0.08 -0.07 -0.27 0.00 -0.22 0.00 0.00 54.13 53.49 2wxp s LEU 816 Cb -0.09 1.15 -0.09 0.00 0.50 0.00 0.00 46.19 47.66 2wxp s LEU 816 CO -0.13 -0.33 1.34 -2.84 -1.32 0.00 0.00 176.35 173.07 2wxp s PRO 817 N 2.56 4.08 0.00 0.98 0.02 -1.26 -1.11 135.00 140.26 2wxp s PRO 817 Ca 0.11 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2wxp s PRO 817 Cb -0.14 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2wxp s PRO 817 CO -0.24 -0.44 0.00 0.25 -0.33 0.00 0.00 177.00 176.25 2wxp n THR 818 N 0.34 0.00 -2.90 0.99 -2.24 0.12 -4.74 114.28 105.86 2wxp n THR 818 Ca 0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2wxp n THR 818 Cb 0.42 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2wxp n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wxp n GLY 819 N 1.47 1.66 3.59 3.38 0.00 -0.91 -3.58 105.19 110.80 2wxp n GLY 819 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2wxp n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wxp s ASP 820 N 0.65 5.90 -1.63 1.61 -1.08 -1.26 -2.42 116.67 118.44 2wxp s ASP 820 Ca 0.00 0.97 -0.15 0.00 -0.52 0.00 0.00 52.55 52.86 2wxp s ASP 820 Cb 0.00 -2.53 0.12 0.00 -1.46 0.00 0.00 42.92 39.05 2wxp s ASP 820 CO 0.00 -1.76 0.75 0.54 0.52 0.00 0.00 175.17 175.22 2wxp n ARG 821 N 8.49 -3.53 -3.98 4.34 1.74 -1.26 -4.70 116.66 117.77 2wxp n ARG 821 Ca 0.20 0.41 -0.14 0.00 -0.77 0.00 0.00 57.85 57.55 2wxp n ARG 821 Cb 0.48 -5.05 -0.15 0.00 -1.02 0.00 0.00 32.46 26.72 2wxp n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wxp s THR 822 N -3.41 0.17 -0.01 0.55 2.01 -1.02 -0.13 115.64 113.80 2wxp s THR 822 Ca 0.60 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 2wxp s THR 822 Cb -0.32 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.03 2wxp s THR 822 CO 0.91 0.06 0.18 0.61 -0.69 0.00 0.00 174.62 175.69 2wxp n GLY 823 N 3.22 0.45 3.22 4.40 0.00 -1.00 0.16 105.19 115.64 2wxp n GLY 823 Ca -0.15 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 2wxp n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxp s LEU 824 N 0.00 2.21 -0.05 0.99 1.43 -0.27 -2.29 118.68 120.70 2wxp s LEU 824 Ca 0.04 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2wxp s LEU 824 Cb -0.00 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.40 2wxp s LEU 824 CO -0.00 0.08 -0.20 -0.63 0.23 0.00 0.00 176.35 175.83 2wxp s ILE 825 N -0.93 1.64 0.27 -0.59 1.01 -0.11 -0.57 121.20 121.91 2wxp s ILE 825 Ca 0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 2wxp s ILE 825 Cb -0.09 -1.41 -0.09 0.00 0.01 0.00 0.00 42.46 40.88 2wxp s ILE 825 CO 0.02 0.47 1.14 -0.70 0.00 0.00 0.00 174.94 175.87 2wxp s GLU 826 N 0.01 4.58 -0.22 2.79 2.12 -0.19 0.12 118.70 127.91 2wxp s GLU 826 Ca -0.05 1.86 -0.23 0.00 0.36 0.00 0.00 54.97 56.91 2wxp s GLU 826 Cb -0.13 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 2wxp s GLU 826 CO 0.03 0.12 0.76 0.08 -0.54 0.00 0.00 175.26 175.71 2wxp s VAL 827 N -0.96 4.90 -0.37 3.70 1.01 -0.16 -4.79 120.40 123.74 2wxp s VAL 827 Ca 0.46 1.44 -0.22 0.00 0.00 0.00 0.00 61.98 63.66 2wxp s VAL 827 Cb -0.33 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2wxp s VAL 827 CO 0.42 -0.01 0.72 -0.69 0.00 0.00 0.00 175.10 175.54 2wxp s VAL 828 N 2.50 4.79 0.66 2.92 1.01 -1.26 -4.51 120.40 126.51 2wxp s VAL 828 Ca 0.33 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 2wxp s VAL 828 Cb -0.16 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2wxp s VAL 828 CO 0.09 -0.42 1.05 -0.76 0.00 0.00 0.00 175.10 175.06 2wxp s LEU 829 N 2.94 3.23 -0.79 3.92 1.43 -1.26 -4.04 118.68 124.11 2wxp s LEU 829 Ca 0.28 1.62 -0.05 0.00 -1.03 0.00 0.00 54.13 54.95 2wxp s LEU 829 Cb -0.14 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.59 2wxp s LEU 829 CO 0.17 -1.28 0.69 1.41 0.23 0.00 0.00 176.35 177.57 2wxp n HIS 830 N -2.82 -1.69 -4.11 0.29 8.25 -1.26 -4.86 115.22 109.01 2wxp n HIS 830 Ca 0.07 0.59 -0.08 0.00 -0.26 0.00 0.00 57.72 58.05 2wxp n HIS 830 Cb 0.53 -3.36 -0.10 0.00 1.12 0.00 0.00 29.99 28.18 2wxp n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wxp s SER 831 N -3.19 0.62 -0.02 0.41 1.04 -1.26 -1.32 113.70 110.00 2wxp s SER 831 Ca 0.34 -1.02 -0.23 0.00 0.48 0.00 0.00 55.95 55.52 2wxp s SER 831 Cb -0.15 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.20 2wxp s SER 831 CO 0.43 -0.58 0.51 -0.62 0.98 0.00 0.00 173.24 173.96 2wxp s ASP 832 N -2.96 -0.44 0.70 7.02 2.15 -0.63 -4.98 116.67 117.53 2wxp s ASP 832 Ca 0.09 0.38 -0.14 0.00 0.43 0.00 0.00 52.55 53.32 2wxp s ASP 832 Cb 0.07 0.44 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 2wxp s ASP 832 CO -0.08 -0.57 1.12 0.42 -0.17 0.00 0.00 175.17 175.89 2wxp s THR 833 N -1.47 3.12 0.18 1.71 -4.23 -1.26 -1.15 115.64 112.54 2wxp s THR 833 Ca -0.11 0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 2wxp s THR 833 Cb -0.02 -2.98 0.09 0.00 1.34 0.00 0.00 72.50 70.93 2wxp s THR 833 CO 0.06 -0.37 1.75 0.40 -0.54 0.00 0.00 174.62 175.92 2wxp h ILE 834 N -0.35 0.83 -0.28 2.99 1.08 -0.95 -2.08 117.51 118.75 2wxp h ILE 834 Ca -0.46 -0.12 0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2wxp h ILE 834 Cb 1.25 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 35.39 2wxp h ILE 834 CO 0.52 0.06 -0.17 0.00 -0.69 0.00 0.00 178.15 177.88 2wxp h ALA 835 N 1.33 0.04 -0.46 1.87 0.00 -0.40 0.32 119.26 121.97 2wxp h ALA 835 Ca 0.23 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wxp h ALA 835 Cb 0.25 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2wxp h ALA 835 CO -0.24 -0.57 0.30 -0.91 0.00 0.00 0.00 179.25 177.83 2wxp h ASN 836 N -0.14 0.53 0.10 0.00 2.35 -1.75 -0.00 115.58 116.67 2wxp h ASN 836 Ca 0.15 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2wxp h ASN 836 Cb 0.37 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2wxp h ASN 836 CO -0.37 0.39 -0.17 0.40 -1.65 0.00 0.00 177.43 176.03 2wxp h ILE 837 N 0.62 1.17 -0.07 2.81 2.04 -0.85 -2.67 117.51 120.56 2wxp h ILE 837 Ca 0.17 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2wxp h ILE 837 Cb -0.06 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2wxp h ILE 837 CO -0.04 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.35 2wxp n GLN 838 N -4.27 1.57 0.33 2.37 6.02 0.11 -3.75 117.38 119.76 2wxp n GLN 838 Ca -0.01 -0.84 0.21 0.00 -0.01 0.00 0.00 57.00 56.35 2wxp n GLN 838 Cb 0.27 -1.43 1.13 0.00 1.02 0.00 0.00 30.24 31.23 2wxp n GLN 838 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wxp h LEU 839 N 1.87 0.00 -1.32 1.08 3.38 -0.81 -3.46 115.31 116.04 2wxp h LEU 839 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2wxp h LEU 839 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2wxp h LEU 839 CO 0.00 0.00 -0.79 -3.20 0.09 0.00 0.00 178.44 174.54 2wxp n ASN 840 N -3.01 -3.21 -4.67 -0.43 5.15 -1.25 -4.91 115.26 102.93 2wxp n ASN 840 Ca -0.03 -0.82 -0.46 0.00 -0.60 0.00 0.00 54.58 52.68 2wxp n ASN 840 Cb 0.12 -3.84 -0.04 0.00 -0.53 0.00 0.00 39.78 35.49 2wxp n ASN 840 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2wxp n LYS 841 N -4.52 2.15 -1.29 1.20 0.00 -1.26 -4.89 118.16 109.55 2wxp n LYS 841 Ca -0.10 0.78 -0.29 0.00 -0.00 0.00 0.00 58.31 58.70 2wxp n LYS 841 Cb 0.59 -2.53 0.14 0.00 -0.00 0.00 0.00 35.03 33.23 2wxp n LYS 841 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2wxp s SER 842 N 0.82 3.34 -0.93 -5.58 1.04 -1.26 -4.20 113.70 106.93 2wxp s SER 842 Ca 0.77 1.29 -0.05 0.00 0.48 0.00 0.00 55.95 58.43 2wxp s SER 842 Cb -0.67 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 63.50 2wxp s SER 842 CO 0.39 -2.70 0.70 -3.20 0.98 0.00 0.00 173.24 169.41 2wxp n ASN 843 N -3.90 -4.84 -3.71 7.02 5.15 -1.26 -4.99 115.26 108.72 2wxp n ASN 843 Ca 0.06 -0.32 -0.14 0.00 -0.60 0.00 0.00 54.58 53.58 2wxp n ASN 843 Cb 0.57 -3.50 -0.08 0.00 -0.53 0.00 0.00 39.78 36.24 2wxp n ASN 843 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wxp s MET 844 N -5.74 0.75 0.18 1.20 -1.94 -1.26 -5.07 119.30 107.43 2wxp s MET 844 Ca 0.34 -0.09 -0.19 0.00 -1.71 0.00 0.00 55.69 54.04 2wxp s MET 844 Cb -0.15 0.34 0.13 0.00 2.01 0.00 0.00 34.83 37.16 2wxp s MET 844 CO 0.43 -0.21 1.61 0.00 -0.01 0.00 0.00 175.02 176.83 2wxp h ALA 845 N 3.70 0.08 0.00 3.03 0.00 -1.94 -3.14 119.26 120.99 2wxp h ALA 845 Ca -0.29 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wxp h ALA 845 Cb 1.17 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2wxp h ALA 845 CO 0.40 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.05 2wxp n ALA 846 N -3.02 2.57 -2.11 0.00 0.00 -1.26 -4.91 120.51 111.77 2wxp n ALA 846 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2wxp n ALA 846 Cb 0.33 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2wxp n ALA 846 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wxp s THR 847 N 0.06 3.60 0.19 0.00 2.01 -1.19 -4.66 115.64 115.65 2wxp s THR 847 Ca 0.00 0.59 -0.10 0.00 0.31 0.00 0.00 61.69 62.49 2wxp s THR 847 Cb 0.00 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 2wxp s THR 847 CO 0.00 -0.56 0.52 0.00 -0.69 0.00 0.00 174.62 173.89 2wxp s ALA 848 N 6.58 3.61 -0.01 7.40 0.00 -1.26 -4.98 121.76 133.10 2wxp s ALA 848 Ca 0.73 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2wxp s ALA 848 Cb -0.19 -2.41 -0.25 0.00 0.00 0.00 0.00 23.12 20.27 2wxp s ALA 848 CO 0.32 0.52 0.80 0.00 0.00 0.00 0.00 175.76 177.40 2wxp h ALA 849 N 2.88 0.45 -3.67 0.00 0.00 -1.97 -3.46 119.26 113.50 2wxp h ALA 849 Ca -0.47 -1.22 -0.46 0.00 0.00 0.00 0.00 54.91 52.75 2wxp h ALA 849 Cb 1.18 0.33 -0.32 0.00 0.00 0.00 0.00 17.79 18.98 2wxp h ALA 849 CO 0.69 1.31 -0.80 -0.06 0.00 0.00 0.00 179.25 180.39 2wxp s PHE 850 N -2.62 1.15 0.54 0.00 0.08 -1.26 -5.04 117.98 110.83 2wxp s PHE 850 Ca -0.08 -0.34 0.27 0.00 0.12 0.00 0.00 56.93 56.90 2wxp s PHE 850 Cb 0.08 -0.84 1.44 0.00 -0.57 0.00 0.00 43.02 43.13 2wxp s PHE 850 CO 0.83 -0.17 1.97 -0.97 -0.10 0.00 0.00 175.22 176.79 2wxp h ASN 851 N 6.63 0.00 -0.03 1.36 -1.24 -1.99 0.14 115.58 120.45 2wxp h ASN 851 Ca -0.33 0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.69 2wxp h ASN 851 Cb 1.17 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.22 2wxp h ASN 851 CO 0.48 0.00 0.13 0.07 -1.29 0.00 0.00 177.43 176.83 2wxp h LYS 852 N 0.00 0.00 -0.00 6.67 2.10 -2.00 -1.78 116.57 121.55 2wxp h LYS 852 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2wxp h LYS 852 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2wxp h LYS 852 CO -0.00 0.00 -0.61 -0.25 -2.00 0.00 0.00 179.45 176.59 2wxp n ASP 853 N -3.18 0.86 -0.19 7.07 8.00 0.48 -4.49 116.55 125.10 2wxp n ASP 853 Ca -0.02 -0.68 -0.01 0.00 0.71 0.00 0.00 54.79 54.79 2wxp n ASP 853 Cb 0.21 0.47 0.09 0.00 -0.02 0.00 0.00 41.12 41.87 2wxp n ASP 853 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wxp h ALA 854 N 3.18 0.72 -0.28 2.24 0.00 -1.42 0.61 119.26 124.31 2wxp h ALA 854 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2wxp h ALA 854 Cb 0.52 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wxp h ALA 854 CO 0.00 -0.19 -0.25 1.25 0.00 0.00 0.00 179.25 180.06 2wxp h LEU 855 N 0.40 0.71 -0.47 0.00 6.46 -1.79 -1.16 115.31 119.47 2wxp h LEU 855 Ca 0.28 -0.46 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 2wxp h LEU 855 Cb 0.31 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2wxp h LEU 855 CO -0.27 1.02 0.10 0.25 -0.62 0.00 0.00 178.44 178.92 2wxp h LEU 856 N 0.40 0.72 -1.30 2.25 5.85 -1.72 -1.38 115.31 120.14 2wxp h LEU 856 Ca 0.05 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.60 2wxp h LEU 856 Cb 0.81 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2wxp h LEU 856 CO 0.06 0.77 0.52 0.78 -0.34 0.00 0.00 178.44 180.24 2wxp h ASN 857 N 0.63 0.74 -0.20 1.25 4.21 -0.72 -0.25 115.58 121.24 2wxp h ASN 857 Ca 0.14 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 2wxp h ASN 857 Cb 0.34 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 2wxp h ASN 857 CO 0.00 0.47 -0.21 -0.25 -1.29 0.00 0.00 177.43 176.16 2wxp h TRP 858 N 0.84 0.59 -0.66 1.19 7.01 -0.72 -1.54 115.95 122.66 2wxp h TRP 858 Ca 0.35 -0.18 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 2wxp h TRP 858 Cb 0.27 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 2wxp h TRP 858 CO -0.00 0.85 0.34 -0.07 -2.79 0.00 0.00 178.44 176.77 2wxp h LEU 859 N 0.16 0.83 -1.10 0.65 3.38 -0.87 -2.07 115.31 116.28 2wxp h LEU 859 Ca 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2wxp h LEU 859 Cb 0.76 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2wxp h LEU 859 CO 0.05 0.69 0.08 0.11 0.09 0.00 0.00 178.44 179.46 2wxp h LYS 860 N 0.92 0.72 0.00 1.13 1.57 -0.75 -0.91 116.57 119.25 2wxp h LYS 860 Ca 0.23 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 2wxp h LYS 860 Cb 0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2wxp h LYS 860 CO -0.03 0.67 -0.87 0.66 -0.57 0.00 0.00 179.45 179.31 2wxp h SER 861 N 0.69 0.00 1.36 0.86 4.64 -0.75 -2.77 113.55 117.58 2wxp h SER 861 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2wxp h SER 861 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2wxp h SER 861 CO 0.00 0.87 -0.07 0.29 -0.87 0.00 0.00 176.83 177.06 2wxp n LYS 862 N -3.40 0.24 -3.18 4.77 4.76 -0.83 -4.57 118.16 115.95 2wxp n LYS 862 Ca 0.00 0.18 -0.23 0.00 -2.87 0.00 0.00 58.31 55.39 2wxp n LYS 862 Cb 0.86 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 2wxp n LYS 862 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wxp n ASN 863 N -2.17 0.21 -4.73 4.39 3.02 -0.36 -4.97 115.26 110.65 2wxp n ASN 863 Ca 0.05 -2.74 -0.37 0.00 -0.03 0.00 0.00 54.58 51.49 2wxp n ASN 863 Cb 0.42 -0.60 0.06 0.00 -0.61 0.00 0.00 39.78 39.05 2wxp n ASN 863 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2wxp n PRO 864 N 1.27 1.26 0.00 3.52 -0.02 -1.19 -2.73 135.00 137.11 2wxp n PRO 864 Ca 0.21 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2wxp n PRO 864 Cb 0.55 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2wxp n PRO 864 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wxp n GLY 865 N 0.89 2.32 0.47 -1.23 0.00 -1.26 -1.95 105.19 104.44 2wxp n GLY 865 Ca 0.14 -0.19 0.24 0.00 0.00 0.00 0.00 46.02 46.22 2wxp n GLY 865 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wxp h GLU 866 N 0.00 0.00 0.00 1.61 5.08 -2.02 -0.99 114.58 118.26 2wxp h GLU 866 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wxp h GLU 866 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wxp h GLU 866 CO 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 177.98 2wxp h ALA 867 N 0.85 1.03 -0.25 3.43 0.00 -1.58 -3.21 119.26 119.53 2wxp h ALA 867 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wxp h ALA 867 Cb 2.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 2wxp h ALA 867 CO -0.00 0.03 0.16 1.25 0.00 0.00 0.00 179.25 180.69 2wxp h LEU 868 N 0.00 0.27 -0.68 0.00 5.85 -0.97 -2.45 115.31 117.34 2wxp h LEU 868 Ca -0.00 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.86 2wxp h LEU 868 Cb 0.39 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 2wxp h LEU 868 CO 0.00 0.20 0.07 0.44 -0.34 0.00 0.00 178.44 178.81 2wxp h ASP 869 N 0.33 -0.17 0.24 1.25 5.19 -1.77 -0.91 116.42 120.58 2wxp h ASP 869 Ca 0.09 0.15 -0.17 0.00 -0.62 0.00 0.00 57.03 56.49 2wxp h ASP 869 Cb -0.03 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 2wxp h ASP 869 CO -0.02 -0.09 -0.65 -0.09 -3.12 0.00 0.00 179.24 175.27 2wxp h ARG 870 N 0.17 0.38 -0.54 3.56 9.65 -1.70 -1.22 114.38 124.69 2wxp h ARG 870 Ca 0.37 -0.28 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2wxp h ARG 870 Cb 0.62 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.22 2wxp h ARG 870 CO -0.54 0.90 0.22 0.00 2.80 0.00 0.00 179.97 183.35 2wxp h ALA 871 N 1.03 0.71 -0.28 2.80 0.00 -0.85 0.19 119.26 122.86 2wxp h ALA 871 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2wxp h ALA 871 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2wxp h ALA 871 CO 0.11 0.32 0.08 0.82 0.00 0.00 0.00 179.25 180.58 2wxp h ILE 872 N 0.74 1.20 -0.53 0.00 2.04 -1.05 0.19 117.51 120.10 2wxp h ILE 872 Ca 0.18 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.45 2wxp h ILE 872 Cb 0.20 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2wxp h ILE 872 CO -0.01 0.22 0.20 -0.08 0.00 0.00 0.00 178.15 178.48 2wxp h GLU 873 N 0.28 0.38 -0.83 2.37 4.57 -1.02 0.77 114.58 121.11 2wxp h GLU 873 Ca 0.09 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2wxp h GLU 873 Cb 0.26 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 2wxp h GLU 873 CO -0.00 0.25 0.42 0.93 -1.18 0.00 0.00 179.01 179.43 2wxp h GLU 874 N 0.39 1.17 -0.54 1.92 4.39 0.16 -0.55 114.58 121.53 2wxp h GLU 874 Ca 0.26 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2wxp h GLU 874 Cb 0.27 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2wxp h GLU 874 CO -0.25 0.88 0.17 0.35 -1.16 0.00 0.00 179.01 179.01 2wxp h PHE 875 N 1.17 0.87 0.04 4.33 3.57 -0.10 -2.36 116.94 124.44 2wxp h PHE 875 Ca 0.29 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2wxp h PHE 875 Cb 0.08 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2wxp h PHE 875 CO 0.01 0.74 -0.02 1.15 -2.23 0.00 0.00 178.31 177.96 2wxp h THR 876 N 0.74 1.11 -0.13 4.41 2.02 -0.21 -0.81 112.91 120.03 2wxp h THR 876 Ca 0.17 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 66.93 2wxp h THR 876 Cb 0.27 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 2wxp h THR 876 CO -0.01 0.12 -0.10 -0.07 0.37 0.00 0.00 175.52 175.84 2wxp h LEU 877 N -0.25 -0.30 -0.30 2.58 3.38 -1.17 -2.46 115.31 116.78 2wxp h LEU 877 Ca -0.00 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2wxp h LEU 877 Cb 0.23 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wxp h LEU 877 CO 0.01 -0.13 -0.38 0.77 0.09 0.00 0.00 178.44 178.80 2wxp h SER 878 N -0.10 0.86 -0.76 -0.43 4.64 -0.95 -1.95 113.55 114.87 2wxp h SER 878 Ca 0.08 -0.49 0.15 0.00 -0.47 0.00 0.00 61.79 61.06 2wxp h SER 878 Cb 0.22 -0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 61.97 2wxp h SER 878 CO -0.20 1.18 0.29 0.00 -0.87 0.00 0.00 176.83 177.24 2wxp h ALA 880 N 1.56 -0.44 -0.63 0.00 0.00 -1.04 0.18 119.26 118.89 2wxp h ALA 880 Ca 0.42 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.36 2wxp h ALA 880 Cb 0.65 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 2wxp h ALA 880 CO -0.42 -0.76 -0.25 0.78 0.00 0.00 0.00 179.25 178.61 2wxp h GLY 881 N -0.45 0.19 1.11 0.00 0.00 -0.56 -0.52 103.07 102.84 2wxp h GLY 881 Ca -0.03 0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.45 2wxp h GLY 881 CO 0.03 -0.24 -0.55 -0.97 0.00 0.00 0.00 176.54 174.82 2wxp h TYR 882 N -0.08 1.04 -0.88 5.60 0.05 -0.59 0.14 116.97 122.25 2wxp h TYR 882 Ca 0.28 -0.38 0.05 0.00 0.05 0.00 0.00 58.73 58.73 2wxp h TYR 882 Cb 0.53 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 38.02 2wxp h TYR 882 CO -0.59 1.20 0.57 0.00 -1.05 0.00 0.00 178.16 178.30 2wxp h VAL 884 N 1.04 1.46 -0.31 0.00 2.07 -0.77 -2.77 116.25 116.97 2wxp h VAL 884 Ca 0.36 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 66.13 2wxp h VAL 884 Cb 0.12 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2wxp h VAL 884 CO -0.12 0.50 0.17 0.00 0.02 0.00 0.00 177.57 178.13 2wxp h ALA 885 N 0.38 0.38 -0.02 1.67 0.00 -0.52 0.16 119.26 121.31 2wxp h ALA 885 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2wxp h ALA 885 Cb 0.97 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2wxp h ALA 885 CO 0.06 -0.21 -0.56 1.79 0.00 0.00 0.00 179.25 180.33 2wxp h THR 886 N 0.35 1.40 0.02 0.00 1.35 -1.20 -0.35 112.91 114.48 2wxp h THR 886 Ca 0.13 -1.93 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2wxp h THR 886 Cb 0.02 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2wxp h THR 886 CO -0.07 0.55 -0.01 0.22 -0.25 0.00 0.00 175.52 175.96 2wxp h TYR 887 N 0.04 -0.03 -0.78 4.73 3.20 -1.16 -0.79 116.97 122.19 2wxp h TYR 887 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2wxp h TYR 887 Cb 1.01 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 2wxp h TYR 887 CO 0.00 0.31 0.42 0.28 -1.64 0.00 0.00 178.16 177.54 2wxp h VAL 888 N -0.37 1.24 -0.01 1.81 2.07 -0.49 -2.87 116.25 117.63 2wxp h VAL 888 Ca -0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2wxp h VAL 888 Cb 0.35 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2wxp h VAL 888 CO 0.01 0.26 -0.03 0.18 0.02 0.00 0.00 177.57 178.01 2wxp n LEU 889 N -4.42 0.57 -2.94 2.57 4.77 -0.16 -4.77 117.00 112.62 2wxp n LEU 889 Ca 0.07 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 2wxp n LEU 889 Cb 0.10 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2wxp n LEU 889 CO 0.38 0.10 0.02 0.61 -1.33 0.00 0.00 177.39 177.17 2wxp n GLY 890 N 1.14 -0.47 3.58 -0.72 0.00 -0.74 0.13 105.19 108.11 2wxp n GLY 890 Ca 0.19 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 2wxp n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wxp s ILE 891 N -3.17 4.60 0.05 -0.61 1.01 -0.38 -1.72 121.20 120.98 2wxp s ILE 891 Ca 0.31 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2wxp s ILE 891 Cb -0.14 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.01 2wxp s ILE 891 CO 0.39 -0.62 0.04 0.61 0.00 0.00 0.00 174.94 175.36 2wxp n GLY 892 N 4.65 2.95 3.12 6.18 0.00 -1.26 -4.72 105.19 116.11 2wxp n GLY 892 Ca 0.05 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 2wxp n GLY 892 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wxp n ASP 893 N -2.06 -5.70 -4.74 1.61 2.03 -1.26 -4.78 116.55 101.65 2wxp n ASP 893 Ca -0.00 -0.32 -0.40 0.00 0.52 0.00 0.00 54.79 54.59 2wxp n ASP 893 Cb 0.06 -4.61 -0.05 0.00 -0.72 0.00 0.00 41.12 35.80 2wxp n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2wxp s ARG 894 N -5.80 4.61 0.27 -0.67 1.81 -1.26 -4.95 118.95 112.97 2wxp s ARG 894 Ca 0.34 1.26 -0.16 0.00 -1.72 0.00 0.00 55.73 55.44 2wxp s ARG 894 Cb -0.16 -3.35 0.06 0.00 -0.45 0.00 0.00 34.95 31.06 2wxp s ARG 894 CO 0.42 0.32 0.81 -2.39 -0.68 0.00 0.00 175.30 173.78 2wxp n HIS 895 N 2.50 -1.81 0.62 -0.53 1.44 -1.26 -5.05 115.22 111.13 2wxp n HIS 895 Ca -0.01 -1.44 0.08 0.00 -2.01 0.00 0.00 57.72 54.34 2wxp n HIS 895 Cb 0.49 0.71 0.37 0.00 0.12 0.00 0.00 29.99 31.68 2wxp n HIS 895 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2wxp n SER 896 N -1.37 0.00 0.07 4.39 3.41 -1.26 -1.62 113.62 117.24 2wxp n SER 896 Ca -0.05 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.04 2wxp n SER 896 Cb 0.53 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 2wxp n SER 896 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wxp n ASP 897 N -1.44 0.66 -0.41 4.04 9.92 -1.26 0.32 116.55 128.37 2wxp n ASP 897 Ca 0.05 0.16 0.09 0.00 -0.53 0.00 0.00 54.79 54.56 2wxp n ASP 897 Cb 0.17 0.74 0.19 0.00 -0.64 0.00 0.00 41.12 41.58 2wxp n ASP 897 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2wxp n ASN 898 N -2.43 2.89 -4.18 -2.24 2.04 -0.64 -4.94 115.26 105.77 2wxp n ASN 898 Ca -0.00 -3.11 -0.29 0.00 -0.44 0.00 0.00 54.58 50.74 2wxp n ASN 898 Cb 0.52 -0.48 -0.17 0.00 -2.53 0.00 0.00 39.78 37.13 2wxp n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2wxp s ILE 899 N -2.88 1.75 0.27 1.53 1.01 -1.15 -1.34 121.20 120.38 2wxp s ILE 899 Ca 0.36 -0.87 0.11 0.00 0.00 0.00 0.00 60.65 60.25 2wxp s ILE 899 Cb 0.31 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 2wxp s ILE 899 CO 0.05 0.49 -0.18 -0.04 0.00 0.00 0.00 174.94 175.26 2wxp s MET 900 N 0.17 1.62 -0.01 2.79 -1.94 0.11 -1.05 119.30 120.99 2wxp s MET 900 Ca -0.10 -1.75 0.04 0.00 -1.71 0.00 0.00 55.69 52.17 2wxp s MET 900 Cb -0.15 -1.64 -0.01 0.00 2.01 0.00 0.00 34.83 35.04 2wxp s MET 900 CO 0.05 0.29 -0.14 0.42 -0.01 0.00 0.00 175.02 175.62 2wxp s ILE 901 N -2.61 1.14 0.31 2.53 -1.09 -0.30 -0.73 121.20 120.46 2wxp s ILE 901 Ca 0.29 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2wxp s ILE 901 Cb -0.04 -0.95 -0.03 0.00 -1.58 0.00 0.00 42.46 39.86 2wxp s ILE 901 CO 0.14 0.32 0.50 -0.13 -1.23 0.00 0.00 174.94 174.54 2wxp s ARG 902 N -0.31 3.48 0.57 2.79 0.52 0.76 -1.61 118.95 125.16 2wxp s ARG 902 Ca 0.05 -0.41 0.36 0.00 -0.52 0.00 0.00 55.73 55.21 2wxp s ARG 902 Cb -0.06 -2.72 1.59 0.00 0.52 0.00 0.00 34.95 34.28 2wxp s ARG 902 CO -0.00 0.23 2.07 0.93 0.02 0.00 0.00 175.30 178.54 2wxp h GLU 903 N 0.96 0.00 0.00 3.54 5.08 -1.52 0.29 114.58 122.93 2wxp h GLU 903 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2wxp h GLU 903 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wxp h GLU 903 CO 0.62 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 179.30 2wxp h SER 904 N 0.00 0.00 0.00 1.42 4.64 -1.93 -3.44 113.55 114.23 2wxp h SER 904 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wxp h SER 904 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2wxp h SER 904 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2wxp n GLY 905 N 0.06 2.20 3.74 -0.77 0.00 0.10 -4.31 105.19 106.21 2wxp n GLY 905 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2wxp n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wxp s GLN 906 N -0.60 4.13 -0.04 1.61 -0.21 -1.25 -3.00 119.66 120.29 2wxp s GLN 906 Ca 0.00 2.58 -0.01 0.00 0.02 0.00 0.00 55.36 57.94 2wxp s GLN 906 Cb 0.00 -3.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 2wxp s GLN 906 CO 0.00 -0.67 0.07 -1.17 -2.12 0.00 0.00 175.29 171.40 2wxp s LEU 907 N 0.09 3.87 0.35 2.90 0.20 -1.26 -0.17 118.68 124.66 2wxp s LEU 907 Ca 0.67 0.18 -0.07 0.00 0.69 0.00 0.00 54.13 55.60 2wxp s LEU 907 Cb -0.48 -2.14 0.02 0.00 -0.43 0.00 0.00 46.19 43.15 2wxp s LEU 907 CO 0.42 0.31 0.57 0.72 -0.29 0.00 0.00 176.35 178.08 2wxp s PHE 908 N -1.10 0.73 0.05 5.38 -0.12 0.10 -4.64 117.98 118.37 2wxp s PHE 908 Ca 0.20 -1.10 0.09 0.00 -0.05 0.00 0.00 56.93 56.06 2wxp s PHE 908 Cb -0.12 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 2wxp s PHE 908 CO 0.10 -1.25 -0.25 -1.01 -0.05 0.00 0.00 175.22 172.76 2wxp s HIS 909 N -2.93 2.18 0.29 3.49 3.76 -1.26 0.06 115.29 120.89 2wxp s HIS 909 Ca 0.25 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.81 2wxp s HIS 909 Cb -0.02 -1.30 -0.06 0.00 1.11 0.00 0.00 32.58 32.31 2wxp s HIS 909 CO 0.17 0.12 -0.01 0.96 -0.85 0.00 0.00 174.74 175.13 2wxp s ILE 910 N -0.80 1.39 -0.71 0.60 -4.36 -0.45 -4.94 121.20 111.92 2wxp s ILE 910 Ca 0.11 -2.06 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 2wxp s ILE 910 Cb -0.10 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 41.05 2wxp s ILE 910 CO 0.02 -0.19 0.68 -0.67 0.24 0.00 0.00 174.94 175.02 2wxp n ASP 911 N -0.60 -7.45 -4.54 4.36 -0.08 -1.26 -4.78 116.55 102.19 2wxp n ASP 911 Ca -0.04 -0.11 -0.42 0.00 -1.51 0.00 0.00 54.79 52.71 2wxp n ASP 911 Cb 0.65 -4.86 -0.07 0.00 2.34 0.00 0.00 41.12 39.18 2wxp n ASP 911 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2wxp s PHE 912 N -2.94 3.13 -0.45 -0.67 0.08 -1.26 -4.90 117.98 110.98 2wxp s PHE 912 Ca 0.03 0.11 0.17 0.00 0.12 0.00 0.00 56.93 57.36 2wxp s PHE 912 Cb -0.01 -3.11 -0.23 0.00 -0.57 0.00 0.00 43.02 39.10 2wxp s PHE 912 CO 0.77 -0.68 0.57 0.41 -0.10 0.00 0.00 175.22 176.20 2wxp n GLY 913 N 4.86 -0.70 3.12 4.36 0.00 -1.26 -4.26 105.19 111.31 2wxp n GLY 913 Ca -0.03 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 2wxp n GLY 913 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wxp s HIS 914 N -2.89 1.24 0.28 1.61 3.76 -1.26 -5.06 115.29 112.97 2wxp s HIS 914 Ca 0.01 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.45 2wxp s HIS 914 Cb 0.12 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 33.06 2wxp s HIS 914 CO 0.72 0.01 0.65 -0.59 -0.85 0.00 0.00 174.74 174.67 2wxp s PHE 915 N -0.57 0.04 -1.45 1.40 -0.00 -1.26 -4.25 117.98 111.90 2wxp s PHE 915 Ca 0.04 -0.48 -0.12 0.00 -0.00 0.00 0.00 56.93 56.36 2wxp s PHE 915 Cb -0.06 0.55 0.09 0.00 -0.00 0.00 0.00 43.02 43.60 2wxp s PHE 915 CO 0.00 -1.20 0.67 1.28 -0.00 0.00 0.00 175.22 175.98 2wxp n LEU 916 N -0.45 -1.83 0.00 -1.99 4.77 0.34 -1.64 117.00 116.20 2wxp n LEU 916 Ca -0.04 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2wxp n LEU 916 Cb 0.60 -2.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 2wxp n LEU 916 CO 0.19 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2wxp n GLY 917 N -1.35 0.43 2.53 -0.72 0.00 -0.70 -4.78 105.19 100.60 2wxp n GLY 917 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2wxp n GLY 917 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxp n ASN 918 N -0.00 3.94 0.00 1.61 5.03 -0.65 -4.56 115.26 120.62 2wxp n ASN 918 Ca 0.00 -2.20 0.00 0.00 0.87 0.00 0.00 54.58 53.25 2wxp n ASN 918 Cb 0.00 -0.95 0.00 0.00 -1.02 0.00 0.00 39.78 37.82 2wxp n ASN 918 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2wxp n PHE 919 N 3.82 0.00 -1.51 3.10 1.16 -1.26 -4.39 117.46 118.37 2wxp n PHE 919 Ca 0.35 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.63 2wxp n PHE 919 Cb 0.22 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.93 2wxp n PHE 919 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 2wxp n ARG 929 N -0.51 0.18 -2.75 3.97 3.00 -1.26 -5.12 116.66 114.17 2wxp n ARG 929 Ca 0.00 -0.09 -0.42 0.00 -0.00 0.00 0.00 57.85 57.34 2wxp n ARG 929 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 32.46 30.66 2wxp n ARG 929 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2wxp s VAL 930 N 6.60 4.81 0.85 5.15 -7.23 -1.26 -5.03 120.40 124.28 2wxp s VAL 930 Ca 1.26 1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 63.22 2wxp s VAL 930 Cb -0.86 -4.25 0.10 0.00 0.56 0.00 0.00 36.38 31.92 2wxp s VAL 930 CO 0.45 -0.01 1.09 -2.16 -0.31 0.00 0.00 175.10 174.17 2wxp s PRO 931 N 2.18 1.65 0.50 4.82 0.04 -1.26 -4.94 135.00 137.99 2wxp s PRO 931 Ca 0.44 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.28 2wxp s PRO 931 Cb -0.17 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2wxp s PRO 931 CO 0.15 -2.02 1.25 0.12 0.04 0.00 0.00 177.00 176.54 2wxp s PHE 932 N -2.90 2.60 -0.17 0.56 5.36 -1.26 -4.91 117.98 117.26 2wxp s PHE 932 Ca 0.63 1.47 0.01 0.00 -0.96 0.00 0.00 56.93 58.07 2wxp s PHE 932 Cb -0.18 -3.56 0.03 0.00 -0.34 0.00 0.00 43.02 38.96 2wxp s PHE 932 CO 0.57 -2.14 -0.15 0.42 -1.46 0.00 0.00 175.22 172.46 2wxp s ILE 933 N -1.45 1.75 -0.36 3.12 -1.09 -1.26 -4.61 121.20 117.30 2wxp s ILE 933 Ca 0.68 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 58.24 2wxp s ILE 933 Cb -0.34 -1.67 0.09 0.00 -1.58 0.00 0.00 42.46 38.96 2wxp s ILE 933 CO 0.40 0.40 0.11 -0.76 -1.23 0.00 0.00 174.94 173.87 2wxp s LEU 934 N 1.40 4.69 0.02 2.97 1.43 -1.26 -4.91 118.68 123.01 2wxp s LEU 934 Ca 0.03 -1.75 -0.24 0.00 -1.03 0.00 0.00 54.13 51.14 2wxp s LEU 934 Cb -0.14 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2wxp s LEU 934 CO -0.11 -0.42 0.74 -0.89 0.23 0.00 0.00 176.35 175.91 2wxp s THR 935 N 1.16 4.80 0.20 5.49 2.01 -1.26 -4.25 115.64 123.79 2wxp s THR 935 Ca 0.03 1.57 -0.14 0.00 0.31 0.00 0.00 61.69 63.47 2wxp s THR 935 Cb -0.21 -4.09 0.20 0.00 0.01 0.00 0.00 72.50 68.40 2wxp s THR 935 CO -0.03 0.35 1.64 0.22 -0.69 0.00 0.00 174.62 176.10 2wxp h TYR 936 N 5.87 -0.26 0.00 4.92 3.20 -1.95 -2.05 116.97 126.70 2wxp h TYR 936 Ca -0.43 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.45 2wxp h TYR 936 Cb 1.20 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 2wxp h TYR 936 CO 0.65 -0.23 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.31 2wxp h ASP 937 N 0.02 0.00 0.08 -2.11 5.19 -1.94 0.21 116.42 117.87 2wxp h ASP 937 Ca 0.28 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.41 2wxp h ASP 937 Cb 0.43 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.97 2wxp h ASP 937 CO -0.57 0.19 -1.13 -0.26 -3.12 0.00 0.00 179.24 174.35 2wxp h PHE 938 N 0.00 0.97 -0.59 4.55 0.04 -1.80 -2.84 116.94 117.27 2wxp h PHE 938 Ca -0.00 -0.59 0.01 0.00 2.80 0.00 0.00 57.97 60.19 2wxp h PHE 938 Cb 0.57 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2wxp h PHE 938 CO 0.00 1.43 0.39 0.28 -0.60 0.00 0.00 178.31 179.81 2wxp h VAL 939 N 0.24 1.13 -0.14 -0.55 2.07 -0.69 -0.66 116.25 117.66 2wxp h VAL 939 Ca -0.16 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2wxp h VAL 939 Cb 1.80 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2wxp h VAL 939 CO 0.22 0.14 -0.01 -0.74 0.02 0.00 0.00 177.57 177.19 2wxp h HIS 940 N 0.77 0.29 -0.29 1.57 -0.00 -0.59 -1.28 115.15 115.62 2wxp h HIS 940 Ca 0.22 -0.06 0.06 0.00 -0.00 0.00 0.00 60.37 60.59 2wxp h HIS 940 Cb -0.05 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.23 2wxp h HIS 940 CO -0.00 0.51 -0.08 0.28 -0.00 0.00 0.00 177.93 178.64 2wxp h VAL 941 N -0.02 0.69 -0.93 5.26 2.07 -1.23 -0.91 116.25 121.19 2wxp h VAL 941 Ca 0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 2wxp h VAL 941 Cb 0.41 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 2wxp h VAL 941 CO 0.01 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.60 2wxp h ILE 942 N -0.01 0.98 -0.00 4.57 2.04 -0.98 0.11 117.51 124.22 2wxp h ILE 942 Ca 0.14 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2wxp h ILE 942 Cb 0.23 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2wxp h ILE 942 CO -0.31 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.02 2wxp n GLN 943 N -4.54 1.00 -2.97 2.37 6.02 -0.50 -4.69 117.38 114.08 2wxp n GLN 943 Ca 0.16 -0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.94 2wxp n GLN 943 Cb 0.29 -1.05 0.01 0.00 1.02 0.00 0.00 30.24 30.52 2wxp n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wxp n GLN 944 N -0.55 -3.63 0.00 -1.09 6.02 0.39 -2.12 117.38 116.41 2wxp n GLN 944 Ca 0.02 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 2wxp n GLN 944 Cb 0.01 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 25.79 2wxp n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wxp n GLY 945 N -1.24 1.08 3.83 1.08 0.00 -0.37 -5.03 105.19 104.55 2wxp n GLY 945 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2wxp n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxp s LYS 946 N -0.75 4.12 0.28 1.61 1.02 -0.90 -4.98 119.74 120.15 2wxp s LYS 946 Ca 0.00 0.71 0.01 0.00 0.02 0.00 0.00 55.97 56.70 2wxp s LYS 946 Cb 0.00 -2.84 0.42 0.00 -0.52 0.00 0.00 37.83 34.89 2wxp s LYS 946 CO 0.00 0.39 1.78 1.15 -0.92 0.00 0.00 175.35 177.75 2wxp h THR 947 N 2.65 1.24 -3.41 2.17 2.02 -1.96 -3.42 112.91 112.19 2wxp h THR 947 Ca -0.48 -1.01 -0.50 0.00 0.77 0.00 0.00 66.41 65.18 2wxp h THR 947 Cb 1.19 1.02 -0.34 0.00 -1.74 0.00 0.00 68.15 68.28 2wxp h THR 947 CO 0.66 0.34 -0.81 0.20 0.37 0.00 0.00 175.52 176.28 2wxp s ASN 948 N -6.71 1.69 -0.44 4.18 0.01 -1.26 -5.03 114.94 107.38 2wxp s ASN 948 Ca -0.08 -0.28 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 2wxp s ASN 948 Cb 0.15 -0.78 0.26 0.00 0.41 0.00 0.00 41.25 41.29 2wxp s ASN 948 CO 0.79 0.02 1.03 -3.20 -1.51 0.00 0.00 177.10 174.23 2wxp n ASN 949 N 3.89 -2.36 0.26 -1.22 2.85 -1.26 -5.00 115.26 112.43 2wxp n ASN 949 Ca -0.23 -2.90 0.11 0.00 -0.11 0.00 0.00 54.58 51.45 2wxp n ASN 949 Cb 0.51 1.53 0.72 0.00 1.24 0.00 0.00 39.78 43.79 2wxp n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2wxp h SER 950 N 3.58 0.00 -0.83 1.20 4.64 -1.98 -0.13 113.55 120.04 2wxp h SER 950 Ca -0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 2wxp h SER 950 Cb 1.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2wxp h SER 950 CO 0.16 0.10 0.38 -0.08 -0.87 0.00 0.00 176.83 176.52 2wxp h GLU 951 N 0.00 1.21 0.06 4.77 4.81 -1.98 0.20 114.58 123.65 2wxp h GLU 951 Ca -0.00 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 2wxp h GLU 951 Cb 0.23 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.41 2wxp h GLU 951 CO 0.01 0.94 -0.52 0.87 -0.73 0.00 0.00 179.01 179.59 2wxp h LYS 952 N 1.19 0.24 -0.63 1.92 1.79 -1.55 -3.03 116.57 116.49 2wxp h LYS 952 Ca 0.28 -0.34 0.05 0.00 -2.18 0.00 0.00 60.65 58.46 2wxp h LYS 952 Cb 0.15 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.86 2wxp h LYS 952 CO -0.03 1.11 0.35 0.35 -1.08 0.00 0.00 179.45 180.15 2wxp h PHE 953 N -0.47 0.64 0.00 -1.35 3.57 -0.99 -2.20 116.94 116.15 2wxp h PHE 953 Ca -0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 2wxp h PHE 953 Cb 1.34 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2wxp h PHE 953 CO 0.20 0.32 -0.38 0.93 -2.23 0.00 0.00 178.31 177.15 2wxp h GLU 954 N 0.66 0.00 -0.68 1.11 4.39 -0.74 -0.70 114.58 118.62 2wxp h GLU 954 Ca 0.28 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.00 2wxp h GLU 954 Cb 0.15 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2wxp h GLU 954 CO -0.17 0.38 0.43 0.00 -1.16 0.00 0.00 179.01 178.50 2wxp h ARG 955 N 0.00 0.84 -0.57 2.33 3.08 -1.31 -1.89 114.38 116.86 2wxp h ARG 955 Ca -0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2wxp h ARG 955 Cb 0.96 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2wxp h ARG 955 CO 0.05 0.55 0.29 0.35 -1.07 0.00 0.00 179.97 180.14 2wxp h PHE 956 N 0.86 0.82 -0.74 3.04 3.57 -0.74 -0.50 116.94 123.25 2wxp h PHE 956 Ca 0.27 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2wxp h PHE 956 Cb -0.02 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.41 2wxp h PHE 956 CO -0.04 0.62 0.44 -0.09 -2.23 0.00 0.00 178.31 177.01 2wxp h ARG 957 N 0.78 0.79 -0.10 1.11 2.43 -1.04 -1.62 114.38 116.73 2wxp h ARG 957 Ca 0.20 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2wxp h ARG 957 Cb 0.10 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2wxp h ARG 957 CO -0.03 0.52 0.06 0.78 -1.51 0.00 0.00 179.97 179.79 2wxp h GLY 958 N 0.81 0.14 0.36 2.80 0.00 -0.78 -0.74 103.07 105.65 2wxp h GLY 958 Ca 0.32 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.65 2wxp h GLY 958 CO -0.17 0.06 -0.11 -0.97 0.00 0.00 0.00 176.54 175.35 2wxp h TYR 959 N 0.10 -0.25 -0.87 5.60 0.05 -0.86 -0.33 116.97 120.40 2wxp h TYR 959 Ca 0.03 0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.94 2wxp h TYR 959 Cb 0.03 0.15 -0.08 0.00 1.01 0.00 0.00 36.73 37.84 2wxp h TYR 959 CO -0.06 -0.17 0.51 0.00 -1.05 0.00 0.00 178.16 177.40 2wxp h GLU 961 N 0.85 0.31 -0.58 0.00 5.08 -0.38 -1.16 114.58 118.70 2wxp h GLU 961 Ca 0.42 -0.16 0.11 0.00 -1.00 0.00 0.00 59.36 58.74 2wxp h GLU 961 Cb 0.39 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2wxp h GLU 961 CO -0.25 0.69 0.11 0.00 -1.00 0.00 0.00 179.01 178.56 2wxp h ARG 962 N -0.06 0.23 -0.49 2.33 3.08 -0.97 -0.17 114.38 118.34 2wxp h ARG 962 Ca 0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2wxp h ARG 962 Cb 0.62 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2wxp h ARG 962 CO 0.03 0.16 -0.01 0.00 -1.07 0.00 0.00 179.97 179.07 2wxp h ALA 963 N 1.47 0.66 -0.72 0.04 0.00 -1.15 -1.93 119.26 117.62 2wxp h ALA 963 Ca 0.30 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2wxp h ALA 963 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2wxp h ALA 963 CO -0.40 0.47 0.19 -0.92 0.00 0.00 0.00 179.25 178.59 2wxp h TYR 964 N 0.72 1.20 0.02 0.00 3.20 -0.96 -2.85 116.97 118.31 2wxp h TYR 964 Ca 0.14 -0.14 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 2wxp h TYR 964 Cb 0.53 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2wxp h TYR 964 CO 0.04 0.97 -0.96 1.79 -1.64 0.00 0.00 178.16 178.36 2wxp h THR 965 N 1.09 1.54 -0.61 1.81 1.35 -0.81 -2.69 112.91 114.58 2wxp h THR 965 Ca 0.23 -2.84 -0.01 0.00 -0.55 0.00 0.00 66.41 63.23 2wxp h THR 965 Cb 0.36 2.62 -0.03 0.00 -1.73 0.00 0.00 68.15 69.36 2wxp h THR 965 CO -0.00 0.82 0.32 0.40 -0.25 0.00 0.00 175.52 176.82 2wxp h ILE 966 N 0.08 1.20 -0.53 6.82 2.04 -1.35 -2.77 117.51 123.00 2wxp h ILE 966 Ca -0.05 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 2wxp h ILE 966 Cb 1.63 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2wxp h ILE 966 CO 0.14 0.22 0.11 -0.07 0.00 0.00 0.00 178.15 178.56 2wxp h LEU 967 N 0.83 0.82 -0.84 1.44 3.38 -1.41 -2.43 115.31 117.10 2wxp h LEU 967 Ca 0.21 -0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.11 2wxp h LEU 967 Cb 0.06 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.49 2wxp h LEU 967 CO -0.03 0.85 0.39 0.03 0.09 0.00 0.00 178.44 179.77 2wxp h ARG 968 N 0.75 0.50 -0.01 1.13 3.08 -1.36 0.85 114.38 119.32 2wxp h ARG 968 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wxp h ARG 968 Cb 0.36 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wxp h ARG 968 CO 0.00 0.33 0.01 0.00 -1.07 0.00 0.00 179.97 179.25 2wxp h ARG 969 N 0.52 0.00 -0.34 0.04 3.08 -1.15 -0.97 114.38 115.56 2wxp h ARG 969 Ca 0.47 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.47 2wxp h ARG 969 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2wxp h ARG 969 CO -0.42 0.00 0.02 0.72 -1.07 0.00 0.00 179.97 179.22 2wxp n HIS 970 N -3.91 1.18 -0.28 3.04 8.25 0.13 -4.71 115.22 118.92 2wxp n HIS 970 Ca -0.03 -1.03 0.09 0.00 -0.26 0.00 0.00 57.72 56.49 2wxp n HIS 970 Cb 0.10 -0.39 0.25 0.00 1.12 0.00 0.00 29.99 31.06 2wxp n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2wxp h GLY 971 N 1.83 1.33 1.90 -1.41 0.00 0.31 0.20 103.07 107.24 2wxp h GLY 971 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2wxp h GLY 971 CO 0.32 -0.19 0.05 1.41 0.00 0.00 0.00 176.54 178.12 2wxp h LEU 972 N 0.41 0.11 -0.20 3.11 3.38 -1.84 -1.71 115.31 118.57 2wxp h LEU 972 Ca 0.49 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.24 2wxp h LEU 972 Cb 0.85 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.58 2wxp h LEU 972 CO -0.48 0.10 -0.75 0.25 0.09 0.00 0.00 178.44 177.64 2wxp h LEU 973 N 0.13 0.90 -0.83 1.67 5.85 -0.98 -1.96 115.31 120.09 2wxp h LEU 973 Ca 0.03 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.10 2wxp h LEU 973 Cb 0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2wxp h LEU 973 CO -0.01 1.38 0.08 -0.26 -0.34 0.00 0.00 178.44 179.29 2wxp h PHE 974 N 0.53 1.01 -0.32 1.25 0.04 -1.17 -2.41 116.94 115.86 2wxp h PHE 974 Ca -0.04 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.54 2wxp h PHE 974 Cb 1.37 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 2wxp h PHE 974 CO 0.08 0.87 -0.03 -0.07 -0.60 0.00 0.00 178.31 178.56 2wxp h LEU 975 N 0.90 0.58 -0.65 1.54 3.38 -1.25 -1.07 115.31 118.74 2wxp h LEU 975 Ca 0.18 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2wxp h LEU 975 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2wxp h LEU 975 CO 0.01 0.77 0.23 0.45 0.09 0.00 0.00 178.44 180.00 2wxp h HIS 976 N 0.38 1.02 -0.43 1.13 3.86 -1.35 -0.71 115.15 119.05 2wxp h HIS 976 Ca 0.09 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2wxp h HIS 976 Cb 0.49 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2wxp h HIS 976 CO 0.04 0.81 0.06 -0.07 0.86 0.00 0.00 177.93 179.64 2wxp h LEU 977 N 0.93 0.68 -1.02 2.43 3.38 -1.39 -1.44 115.31 118.88 2wxp h LEU 977 Ca 0.21 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2wxp h LEU 977 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2wxp h LEU 977 CO -0.01 0.77 0.06 -0.26 0.09 0.00 0.00 178.44 179.09 2wxp h PHE 978 N 0.56 0.80 -0.66 1.13 -1.00 -1.11 -1.75 116.94 114.91 2wxp h PHE 978 Ca 0.13 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 2wxp h PHE 978 Cb 0.38 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 2wxp h PHE 978 CO 0.03 0.71 0.38 0.00 -1.61 0.00 0.00 178.31 177.82 2wxp h ALA 979 N 1.34 0.85 -0.02 2.45 0.00 -0.78 -1.54 119.26 121.56 2wxp h ALA 979 Ca 0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2wxp h ALA 979 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wxp h ALA 979 CO 0.01 0.35 -0.42 -0.07 0.00 0.00 0.00 179.25 179.12 2wxp h LEU 980 N 0.90 0.03 -1.41 0.00 3.38 -1.02 -2.96 115.31 114.25 2wxp h LEU 980 Ca 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2wxp h LEU 980 Cb 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2wxp h LEU 980 CO -0.04 0.45 -0.19 0.24 0.09 0.00 0.00 178.44 178.99 2wxp h MET 981 N 0.03 0.00 -0.55 1.13 2.86 -0.38 -2.78 114.93 115.24 2wxp h MET 981 Ca -0.00 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 2wxp h MET 981 Cb 0.75 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 2wxp h MET 981 CO 0.06 0.19 0.76 0.00 1.06 0.00 0.00 176.91 178.97 2wxp h ARG 982 N 0.00 0.00 0.00 1.72 3.08 -1.26 0.42 114.38 118.34 2wxp h ARG 982 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxp h ARG 982 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2wxp h ARG 982 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2wxp n ALA 983 N -2.17 2.23 0.13 0.04 0.00 -1.05 -3.56 120.51 116.12 2wxp n ALA 983 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2wxp n ALA 983 Cb 0.95 -1.38 0.13 0.00 0.00 0.00 0.00 19.45 19.15 2wxp n ALA 983 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxp h ALA 984 N 3.18 0.84 -0.02 0.00 0.00 -0.39 -3.47 119.26 119.41 2wxp h ALA 984 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2wxp h ALA 984 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wxp h ALA 984 CO 0.00 0.83 -0.01 0.41 0.00 0.00 0.00 179.25 180.48 2wxp n GLY 985 N 0.50 0.47 3.73 0.00 0.00 -1.23 -5.01 105.19 103.64 2wxp n GLY 985 Ca -0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2wxp n GLY 985 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wxp n LEU 986 N -0.05 4.11 0.25 0.99 4.32 -1.26 -4.89 117.00 120.47 2wxp n LEU 986 Ca -0.00 1.08 0.09 0.00 -0.02 0.00 0.00 56.01 57.16 2wxp n LEU 986 Cb 0.04 -1.58 0.66 0.00 -1.62 0.00 0.00 43.42 40.92 2wxp n LEU 986 CO 0.01 0.20 1.00 -0.65 -1.22 0.00 0.00 177.39 176.72 2wxp h PRO 987 N 6.42 0.00 -0.64 3.23 0.11 -2.01 -1.68 132.00 137.42 2wxp h PRO 987 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wxp h PRO 987 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wxp h PRO 987 CO 0.93 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 179.20 2wxp n GLU 988 N -4.12 3.66 -3.18 1.05 1.02 -1.26 -4.32 120.64 113.49 2wxp n GLU 988 Ca -0.03 -2.56 -0.22 0.00 -0.02 0.00 0.00 57.16 54.34 2wxp n GLU 988 Cb 0.18 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 29.63 2wxp n GLU 988 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wxp n LEU 989 N 0.85 0.27 -0.09 -4.62 7.94 -0.63 -4.86 117.00 115.85 2wxp n LEU 989 Ca 0.23 -4.74 -0.15 0.00 -1.11 0.00 0.00 56.01 50.24 2wxp n LEU 989 Cb 0.87 0.66 -0.08 0.00 0.53 0.00 0.00 43.42 45.41 2wxp n LEU 989 CO 0.23 2.12 -1.10 -1.20 -1.11 0.00 0.00 177.39 176.33 2wxp n SER 990 N 1.14 2.20 -0.14 1.96 7.64 -1.26 -4.53 113.62 120.63 2wxp n SER 990 Ca 0.22 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2wxp n SER 990 Cb 0.56 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2wxp n SER 990 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wxp h SER 992 N 0.00 0.81 0.07 0.00 0.02 -2.00 -3.21 113.55 109.23 2wxp h SER 992 Ca 0.00 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2wxp h SER 992 Cb 0.00 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 2wxp h SER 992 CO 0.00 1.28 -0.04 0.11 -1.14 0.00 0.00 176.83 177.04 2wxp h LYS 993 N 0.49 0.00 -0.24 3.45 1.79 -1.97 0.12 116.57 120.20 2wxp h LYS 993 Ca -0.03 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.30 2wxp h LYS 993 Cb 1.31 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2wxp h LYS 993 CO 0.14 0.04 -0.38 -0.44 -1.08 0.00 0.00 179.45 177.73 2wxp h ASP 994 N 0.00 0.76 -0.50 0.86 3.32 -1.91 -1.87 116.42 117.08 2wxp h ASP 994 Ca -0.00 -0.52 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 2wxp h ASP 994 Cb 0.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2wxp h ASP 994 CO 0.01 1.13 0.10 0.40 -1.72 0.00 0.00 179.24 179.16 2wxp h ILE 995 N 0.41 1.24 -0.21 0.35 1.08 -1.41 -2.76 117.51 116.21 2wxp h ILE 995 Ca 0.02 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 2wxp h ILE 995 Cb 0.97 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 2wxp h ILE 995 CO 0.09 0.32 0.13 -0.61 -0.69 0.00 0.00 178.15 177.39 2wxp h GLN 996 N 0.69 0.28 -0.86 2.37 5.75 -0.79 0.70 115.11 123.26 2wxp h GLN 996 Ca 0.15 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.73 2wxp h GLN 996 Cb 0.36 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.78 2wxp h GLN 996 CO 0.01 0.19 0.51 -0.92 -2.65 0.00 0.00 178.83 175.96 2wxp h TYR 997 N 0.29 0.92 -0.03 3.99 3.20 -1.03 0.08 116.97 124.39 2wxp h TYR 997 Ca 0.08 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 2wxp h TYR 997 Cb -0.02 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 2wxp h TYR 997 CO 0.00 0.38 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.22 2wxp h LEU 998 N 0.85 0.14 -0.54 2.82 3.38 -0.91 -0.77 115.31 120.28 2wxp h LEU 998 Ca 0.41 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2wxp h LEU 998 Cb 0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2wxp h LEU 998 CO -0.24 0.72 0.22 0.11 0.09 0.00 0.00 178.44 179.34 2wxp h LYS 999 N 0.09 0.80 -0.14 1.13 1.57 -0.62 -2.54 116.57 116.85 2wxp h LYS 999 Ca -0.01 -0.14 -0.22 0.00 -1.87 0.00 0.00 60.65 58.41 2wxp h LYS 999 Cb 1.11 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.30 2wxp h LYS 999 CO 0.09 0.69 -0.78 -0.44 -0.57 0.00 0.00 179.45 178.44 2wxp h ASP 1000N 0.72 0.87 -0.30 0.86 3.32 -0.88 -0.49 116.42 120.53 2wxp h ASP 1000Ca 0.18 -0.58 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 2wxp h ASP 1000Cb 0.19 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2wxp h ASP 1000CO -0.02 1.37 -0.17 0.77 -1.72 0.00 0.00 179.24 179.47 2wxp h SER 1001N 0.50 0.76 -0.07 6.45 4.64 -1.16 -2.65 113.55 122.02 2wxp h SER 1001Ca -0.05 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2wxp h SER 1001Cb 1.40 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wxp h SER 1001CO 0.16 0.93 0.00 0.18 -0.87 0.00 0.00 176.83 177.23 2wxp n LEU 1002N -4.14 1.81 -4.13 5.97 4.77 -0.96 -4.88 117.00 115.45 2wxp n LEU 1002Ca 0.01 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 54.99 2wxp n LEU 1002Cb 0.40 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2wxp n LEU 1002CO 0.44 0.33 -0.33 0.00 -1.33 0.00 0.00 177.39 176.50 2wxp n ALA 1003N 0.41 -2.16 0.67 -1.18 0.00 -0.21 -4.81 120.51 113.23 2wxp n ALA 1003Ca 0.18 -0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.28 2wxp n ALA 1003Cb 0.39 -1.39 0.47 0.00 0.00 0.00 0.00 19.45 18.92 2wxp n ALA 1003CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wxp n LEU 1004N -4.49 0.47 -0.30 0.00 7.99 -1.08 -2.33 117.00 117.25 2wxp n LEU 1004Ca -0.22 0.56 0.15 0.00 -0.01 0.00 0.00 56.01 56.49 2wxp n LEU 1004Cb 0.59 -0.44 0.68 0.00 -0.11 0.00 0.00 43.42 44.14 2wxp n LEU 1004CO 0.74 -0.22 0.96 0.61 -1.51 0.00 0.00 177.39 177.97 2wxp n GLY 1005N 0.95 -0.37 3.83 -0.72 0.00 -1.26 -4.92 105.19 102.69 2wxp n GLY 1005Ca 0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 2wxp n GLY 1005CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxp s LYS 1006N -2.00 2.82 0.87 1.61 1.02 -0.99 -5.12 119.74 117.96 2wxp s LYS 1006Ca 0.41 -1.17 -0.11 0.00 0.02 0.00 0.00 55.97 55.12 2wxp s LYS 1006Cb 0.21 -2.51 0.11 0.00 -0.52 0.00 0.00 37.83 35.12 2wxp s LYS 1006CO 0.34 0.27 1.09 0.95 -0.92 0.00 0.00 175.35 177.09 2wxp s THR 1007N -2.21 2.81 0.44 2.17 -4.23 -1.26 -4.82 115.64 108.54 2wxp s THR 1007Ca 0.36 0.26 0.14 0.00 -1.18 0.00 0.00 61.69 61.28 2wxp s THR 1007Cb -0.07 -2.74 0.18 0.00 1.34 0.00 0.00 72.50 71.22 2wxp s THR 1007CO 0.25 -0.35 1.99 -0.08 -0.54 0.00 0.00 174.62 175.90 2wxp h GLU 1008N -1.46 0.02 -0.25 3.99 4.81 -2.00 -2.00 114.58 117.69 2wxp h GLU 1008Ca -0.48 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 2wxp h GLU 1008Cb 1.27 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 2wxp h GLU 1008CO 0.53 0.19 -0.37 1.49 -0.73 0.00 0.00 179.01 180.12 2wxp h GLU 1009N 0.02 0.70 -0.05 1.92 4.57 -2.00 -2.29 114.58 117.44 2wxp h GLU 1009Ca 0.00 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 57.75 2wxp h GLU 1009Cb 0.32 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2wxp h GLU 1009CO 0.02 1.03 -0.02 0.93 -1.18 0.00 0.00 179.01 179.80 2wxp h GLU 1010N 0.43 0.10 -0.96 1.92 5.08 -1.86 -2.33 114.58 116.96 2wxp h GLU 1010Ca 0.03 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2wxp h GLU 1010Cb 0.96 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 2wxp h GLU 1010CO 0.09 0.46 0.62 0.00 -1.00 0.00 0.00 179.01 179.17 2wxp h ALA 1011N 0.64 1.49 -0.36 3.43 0.00 -1.42 -0.61 119.26 122.44 2wxp h ALA 1011Ca 0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2wxp h ALA 1011Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2wxp h ALA 1011CO 0.01 0.34 -0.21 1.25 0.00 0.00 0.00 179.25 180.63 2wxp h LEU 1012N 1.06 0.81 -0.22 0.00 5.85 -1.39 0.55 115.31 121.97 2wxp h LEU 1012Ca 0.43 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wxp h LEU 1012Cb 0.27 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2wxp h LEU 1012CO -0.18 1.06 0.12 0.50 -0.34 0.00 0.00 178.44 179.60 2wxp h LYS 1013N 0.57 0.30 -0.40 1.25 1.63 -0.92 0.14 116.57 119.15 2wxp h LYS 1013Ca 0.08 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2wxp h LYS 1013Cb 0.77 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.30 2wxp h LYS 1013CO 0.06 0.28 0.18 1.25 -3.45 0.00 0.00 179.45 177.77 2wxp h HIS 1014N 0.25 0.33 -0.72 1.91 2.76 -1.05 -1.89 115.15 116.73 2wxp h HIS 1014Ca 0.08 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2wxp h HIS 1014Cb 0.06 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 2wxp h HIS 1014CO -0.04 0.16 0.47 0.35 -1.30 0.00 0.00 177.93 177.57 2wxp h PHE 1015N 0.37 0.88 -0.04 5.26 3.57 -0.48 -1.96 116.94 124.54 2wxp h PHE 1015Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2wxp h PHE 1015Cb 0.10 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2wxp h PHE 1015CO -0.11 0.52 0.03 0.00 -2.23 0.00 0.00 178.31 176.52 2wxp h ARG 1016N 0.93 0.02 -0.10 1.11 3.08 -0.07 -0.40 114.38 118.94 2wxp h ARG 1016Ca 0.28 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.21 2wxp h ARG 1016Cb -0.03 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2wxp h ARG 1016CO -0.09 0.01 -0.42 0.28 -1.07 0.00 0.00 179.97 178.69 2wxp h VAL 1017N 0.02 1.38 -0.61 2.04 2.07 -0.63 -1.26 116.25 119.26 2wxp h VAL 1017Ca 0.02 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 2wxp h VAL 1017Cb 0.06 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 2wxp h VAL 1017CO -0.00 0.52 0.35 0.11 0.02 0.00 0.00 177.57 178.57 2wxp h LYS 1018N 0.03 0.83 0.10 1.57 1.79 -0.80 0.24 116.57 120.33 2wxp h LYS 1018Ca -0.02 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2wxp h LYS 1018Cb 1.06 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2wxp h LYS 1018CO 0.09 0.60 -0.05 0.35 -1.08 0.00 0.00 179.45 179.36 2wxp h PHE 1019N 0.85 -0.12 -1.00 -1.35 3.57 -1.13 -1.50 116.94 116.25 2wxp h PHE 1019Ca 0.22 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.83 2wxp h PHE 1019Cb -0.00 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.70 2wxp h PHE 1019CO 0.00 0.40 0.63 -0.91 -2.23 0.00 0.00 178.31 176.21 2wxp h ASN 1020N -0.84 0.94 -0.52 0.41 2.35 -1.15 1.00 115.58 117.77 2wxp h ASN 1020Ca -0.01 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2wxp h ASN 1020Cb 0.58 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 2wxp h ASN 1020CO 0.02 0.52 0.34 -0.33 -1.65 0.00 0.00 177.43 176.34 2wxp h GLU 1021N 1.02 0.67 -0.38 0.81 5.08 -0.49 -2.60 114.58 118.68 2wxp h GLU 1021Ca 0.48 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.64 2wxp h GLU 1021Cb 0.43 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2wxp h GLU 1021CO -0.24 0.44 -0.39 0.00 -1.00 0.00 0.00 179.01 177.82 2wxp h ALA 1022N 1.68 0.57 -0.83 3.43 0.00 0.24 -2.84 119.26 121.50 2wxp h ALA 1022Ca 0.19 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2wxp h ALA 1022Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2wxp h ALA 1022CO -0.04 0.68 0.45 1.25 0.00 0.00 0.00 179.25 181.58 2wxp h LEU 1023N 0.77 1.04 -0.38 0.00 5.85 -0.84 -0.31 115.31 121.44 2wxp h LEU 1023Ca 0.06 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2wxp h LEU 1023Cb 0.99 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2wxp h LEU 1023CO 0.10 0.84 0.19 0.03 -0.34 0.00 0.00 178.44 179.26 2wxp h ARG 1024N 1.15 0.38 0.00 1.25 3.08 -1.48 -1.52 114.38 117.25 2wxp h ARG 1024Ca 0.29 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2wxp h ARG 1024Cb 0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wxp h ARG 1024CO -0.05 0.25 -0.04 1.49 -1.07 0.00 0.00 179.97 180.56 2wxp h GLU 1025N 0.39 0.00 -5.99 0.04 4.57 -1.17 -3.36 114.58 109.05 2wxp h GLU 1025Ca 0.16 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.86 2wxp h GLU 1025Cb 0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2wxp h GLU 1025CO -0.11 0.04 1.26 0.45 -1.18 0.00 0.00 179.01 179.47 2wxp s SER 1026N -5.73 5.36 0.00 1.04 0.15 -0.17 -5.01 113.70 109.34 2wxp s SER 1026Ca -0.03 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2wxp s SER 1026Cb 0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2wxp s SER 1026CO 0.51 -2.36 0.00 0.79 1.20 0.00 0.00 173.24 173.38