#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wxm h LYS 110 N 0.00 0.28 -0.31 5.55 1.63 -2.06 0.12 116.57 121.78 2wxm h LYS 110 Ca 0.00 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 2wxm h LYS 110 Cb 0.00 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 2wxm h LYS 110 CO 0.00 0.19 0.02 -0.22 -3.45 0.00 0.00 179.45 175.99 2wxm h LYS 111 N 0.29 0.54 -0.39 1.90 1.63 -2.06 -2.86 116.57 115.62 2wxm h LYS 111 Ca 0.21 -0.16 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 2wxm h LYS 111 Cb 0.47 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 2wxm h LYS 111 CO -0.05 0.66 0.17 1.25 -3.45 0.00 0.00 179.45 178.04 2wxm h LEU 112 N 0.34 0.23 -0.75 5.20 5.85 -1.27 -2.41 115.31 122.50 2wxm h LEU 112 Ca 0.09 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2wxm h LEU 112 Cb 0.41 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2wxm h LEU 112 CO 0.01 0.17 0.32 0.40 -0.34 0.00 0.00 178.44 179.01 2wxm h ILE 113 N 0.36 1.25 -0.57 4.05 2.04 -1.29 -1.12 117.51 122.23 2wxm h ILE 113 Ca 0.17 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2wxm h ILE 113 Cb 0.11 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2wxm h ILE 113 CO -0.14 0.31 0.35 0.78 0.00 0.00 0.00 178.15 179.45 2wxm h ASN 114 N 1.07 0.68 -0.05 1.72 2.35 -1.25 -0.86 115.58 119.25 2wxm h ASN 114 Ca 0.25 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.81 2wxm h ASN 114 Cb 0.18 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2wxm h ASN 114 CO -0.02 0.54 -0.43 0.77 -1.65 0.00 0.00 177.43 176.63 2wxm h SER 115 N 0.77 0.62 -0.54 5.81 4.64 -0.96 -0.30 113.55 123.59 2wxm h SER 115 Ca 0.21 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2wxm h SER 115 Cb -0.03 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 2wxm h SER 115 CO -0.04 0.97 0.35 1.56 -0.87 0.00 0.00 176.83 178.80 2wxm h GLN 116 N 0.47 0.69 0.17 4.77 4.20 -0.91 -1.35 115.11 123.15 2wxm h GLN 116 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wxm h GLN 116 Cb 0.94 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2wxm h GLN 116 CO 0.08 0.46 -0.18 0.82 -0.67 0.00 0.00 178.83 179.35 2wxm h ILE 117 N 0.71 0.61 -0.70 2.54 2.04 -0.73 0.40 117.51 122.39 2wxm h ILE 117 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.17 2wxm h ILE 117 Cb -0.05 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 2wxm h ILE 117 CO -0.06 0.00 0.32 0.28 0.00 0.00 0.00 178.15 178.69 2wxm h SER 118 N -0.38 0.38 -0.32 1.72 0.02 -0.87 0.27 113.55 114.37 2wxm h SER 118 Ca 0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2wxm h SER 118 Cb 0.36 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2wxm h SER 118 CO -0.05 0.21 0.05 0.25 -1.14 0.00 0.00 176.83 176.15 2wxm h LEU 119 N 0.53 0.51 -0.38 5.07 5.85 -1.04 -2.08 115.31 123.77 2wxm h LEU 119 Ca 0.35 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2wxm h LEU 119 Cb 0.42 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2wxm h LEU 119 CO -0.30 0.64 0.25 0.25 -0.34 0.00 0.00 178.44 178.94 2wxm h LEU 120 N 0.36 0.44 -0.24 2.25 5.85 0.49 -2.89 115.31 121.56 2wxm h LEU 120 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wxm h LEU 120 Cb 0.35 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2wxm h LEU 120 CO 0.01 0.33 -0.32 2.30 -0.34 0.00 0.00 178.44 180.42 2wxm n ILE 121 N -4.81 0.00 -1.71 4.05 -5.35 -0.06 -4.92 119.36 106.56 2wxm n ILE 121 Ca 0.00 -0.06 -0.08 0.00 -0.27 0.00 0.00 62.75 62.34 2wxm n ILE 121 Cb 0.03 0.23 -0.02 0.00 -1.74 0.00 0.00 39.64 38.14 2wxm n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wxm n GLY 122 N 1.40 0.49 3.19 3.28 0.00 -0.81 -4.94 105.19 107.80 2wxm n GLY 122 Ca 0.10 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2wxm n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wxm s LYS 123 N -3.58 0.34 0.07 1.61 2.20 -1.04 -5.05 119.74 114.29 2wxm s LYS 123 Ca 0.00 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 2wxm s LYS 123 Cb 0.00 0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.28 2wxm s LYS 123 CO 0.00 -0.12 1.18 0.20 -0.36 0.00 0.00 175.35 176.25 2wxm s GLY 124 N 0.95 2.48 0.62 5.54 0.00 -1.26 -4.32 107.32 111.32 2wxm s GLY 124 Ca -0.06 0.83 0.34 0.00 0.00 0.00 0.00 44.72 45.83 2wxm s GLY 124 CO -0.07 1.99 2.23 1.41 0.00 0.00 0.00 173.10 178.65 2wxm h LEU 125 N 6.61 0.00 -1.15 0.66 3.38 -1.91 -0.61 115.31 122.29 2wxm h LEU 125 Ca -0.42 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 2wxm h LEU 125 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2wxm h LEU 125 CO 0.80 0.00 -0.41 1.12 0.09 0.00 0.00 178.44 180.04 2wxm h HIS 126 N 0.00 0.00 0.00 1.13 2.07 -1.99 -1.84 115.15 114.52 2wxm h HIS 126 Ca 0.02 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.49 2wxm h HIS 126 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 2wxm h HIS 126 CO 0.00 0.41 -0.27 0.93 -3.07 0.00 0.00 177.93 175.93 2wxm h GLU 127 N 0.00 0.00 -0.25 5.12 5.08 -1.50 -0.85 114.58 122.18 2wxm h GLU 127 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2wxm h GLU 127 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2wxm h GLU 127 CO 0.05 0.27 -0.43 0.74 -1.00 0.00 0.00 179.01 178.64 2wxm h PHE 128 N 0.00 0.75 -0.15 4.33 0.04 -1.45 -3.27 116.94 117.18 2wxm h PHE 128 Ca -0.00 -0.23 -0.19 0.00 2.80 0.00 0.00 57.97 60.35 2wxm h PHE 128 Cb 0.48 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.48 2wxm h PHE 128 CO 0.00 0.94 -0.63 -0.44 -0.60 0.00 0.00 178.31 177.58 2wxm h ASP 129 N 0.51 0.82 0.06 2.17 3.32 -1.27 -3.20 116.42 118.84 2wxm h ASP 129 Ca 0.04 -0.62 -0.00 0.00 0.02 0.00 0.00 57.03 56.47 2wxm h ASP 129 Cb 0.95 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 2wxm h ASP 129 CO 0.09 1.30 -0.01 0.28 -1.72 0.00 0.00 179.24 179.18 2wxm h SER 130 N 0.39 0.00 1.26 6.45 0.02 -1.24 -1.51 113.55 118.92 2wxm h SER 130 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wxm h SER 130 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2wxm h SER 130 CO 0.13 0.01 0.00 -0.07 -1.14 0.00 0.00 176.83 175.76 2wxm h LEU 131 N 0.00 0.00 -1.75 5.07 3.38 -1.60 -3.47 115.31 116.94 2wxm h LEU 131 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2wxm h LEU 131 Cb 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.58 2wxm h LEU 131 CO 0.00 0.00 -0.92 0.54 0.09 0.00 0.00 178.44 178.15 2wxm n ARG 132 N -2.83 -1.76 -4.03 1.13 5.12 -0.57 -4.93 116.66 108.79 2wxm n ARG 132 Ca 0.02 0.21 -0.35 0.00 -1.93 0.00 0.00 57.85 55.80 2wxm n ARG 132 Cb 0.36 -4.22 -0.12 0.00 -1.16 0.00 0.00 32.46 27.32 2wxm n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wxm s ASP 133 N -4.03 5.01 0.17 0.55 2.15 -1.26 -5.03 116.67 114.23 2wxm s ASP 133 Ca 0.26 -0.16 -0.12 0.00 0.43 0.00 0.00 52.55 52.96 2wxm s ASP 133 Cb -0.15 -1.86 0.07 0.00 -0.30 0.00 0.00 42.92 40.68 2wxm s ASP 133 CO 0.97 0.07 1.75 -0.65 -0.17 0.00 0.00 175.17 177.14 2wxm h PRO 134 N 7.46 0.84 -0.18 4.34 0.11 -1.98 -1.62 132.00 140.96 2wxm h PRO 134 Ca -0.36 -0.13 0.03 0.00 0.11 0.00 0.00 66.00 65.65 2wxm h PRO 134 Cb 1.18 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2wxm h PRO 134 CO 0.62 0.69 -0.00 1.49 -0.21 0.00 0.00 178.00 180.58 2wxm h GLU 135 N 0.79 0.06 -0.87 1.05 4.81 -1.98 0.30 114.58 118.73 2wxm h GLU 135 Ca 0.20 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2wxm h GLU 135 Cb 0.13 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2wxm h GLU 135 CO -0.02 0.04 0.56 0.28 -0.73 0.00 0.00 179.01 179.13 2wxm h VAL 136 N 0.06 1.16 -0.54 0.32 2.07 -1.95 0.13 116.25 117.50 2wxm h VAL 136 Ca 0.09 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2wxm h VAL 136 Cb 0.11 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 2wxm h VAL 136 CO -0.15 0.20 0.24 0.78 0.02 0.00 0.00 177.57 178.67 2wxm h ASN 137 N 1.10 0.71 -0.04 0.57 4.21 -0.25 0.15 115.58 122.04 2wxm h ASN 137 Ca 0.34 -0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.69 2wxm h ASN 137 Cb -0.02 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 36.99 2wxm h ASN 137 CO -0.11 0.66 -0.05 0.44 -1.29 0.00 0.00 177.43 177.08 2wxm h ASP 138 N 0.72 0.11 -0.46 5.81 3.32 -0.08 -1.93 116.42 123.92 2wxm h ASP 138 Ca 0.18 -0.53 0.08 0.00 0.02 0.00 0.00 57.03 56.78 2wxm h ASP 138 Cb 0.15 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.57 2wxm h ASP 138 CO -0.02 0.62 -0.40 0.15 -1.72 0.00 0.00 179.24 177.87 2wxm h PHE 139 N -0.39 -1.16 -0.06 4.55 3.57 -0.58 -0.97 116.94 121.90 2wxm h PHE 139 Ca 0.00 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2wxm h PHE 139 Cb 0.59 0.57 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 2wxm h PHE 139 CO 0.11 -0.42 -0.30 0.00 -2.23 0.00 0.00 178.31 175.47 2wxm h ARG 140 N -0.28 -0.40 -0.28 1.11 3.08 -0.91 -1.47 114.38 115.23 2wxm h ARG 140 Ca 0.16 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2wxm h ARG 140 Cb 0.57 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2wxm h ARG 140 CO -0.60 -0.27 0.05 1.79 -1.07 0.00 0.00 179.97 179.87 2wxm h THR 141 N -0.41 1.23 -0.38 2.04 1.35 -0.83 -1.36 112.91 114.55 2wxm h THR 141 Ca 0.08 -0.77 -0.01 0.00 -0.55 0.00 0.00 66.41 65.16 2wxm h THR 141 Cb 0.53 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 2wxm h THR 141 CO -0.29 0.25 0.21 0.50 -0.25 0.00 0.00 175.52 175.93 2wxm h LYS 142 N 0.28 0.53 -0.27 4.72 1.63 -1.11 -2.49 116.57 119.86 2wxm h LYS 142 Ca 0.09 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 2wxm h LYS 142 Cb 0.32 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 2wxm h LYS 142 CO 0.00 0.44 -0.37 0.52 -3.45 0.00 0.00 179.45 176.59 2wxm h MET 143 N 0.49 0.61 -0.94 1.90 2.86 -1.23 -1.24 114.93 117.37 2wxm h MET 143 Ca 0.13 -0.30 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2wxm h MET 143 Cb 0.06 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2wxm h MET 143 CO -0.02 0.88 0.62 -0.09 1.06 0.00 0.00 176.91 179.36 2wxm h ARG 144 N 0.50 1.21 0.28 1.72 2.43 -1.09 0.10 114.38 119.53 2wxm h ARG 144 Ca 0.05 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2wxm h ARG 144 Cb 0.88 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2wxm h ARG 144 CO 0.08 0.80 -0.13 0.37 -1.51 0.00 0.00 179.97 179.57 2wxm h GLN 145 N 1.24 -0.36 -0.07 0.20 4.15 -1.04 -0.30 115.11 118.94 2wxm h GLN 145 Ca 0.35 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.84 2wxm h GLN 145 Cb -0.09 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 2wxm h GLN 145 CO -0.09 -0.10 -0.23 0.35 -1.93 0.00 0.00 178.83 176.83 2wxm h PHE 146 N -0.57 -0.61 -0.82 3.99 3.57 -0.87 -1.14 116.94 120.48 2wxm h PHE 146 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2wxm h PHE 146 Cb 0.42 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 2wxm h PHE 146 CO -0.01 -0.31 0.46 0.00 -2.23 0.00 0.00 178.31 176.22 2wxm h GLU 148 N 1.13 0.03 -0.47 0.00 5.08 -0.77 -1.81 114.58 117.78 2wxm h GLU 148 Ca 0.29 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2wxm h GLU 148 Cb 0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2wxm h GLU 148 CO -0.05 0.36 -0.01 0.93 -1.00 0.00 0.00 179.01 179.25 2wxm h GLU 149 N 0.02 0.84 -0.16 2.33 5.08 -0.60 -2.31 114.58 119.79 2wxm h GLU 149 Ca 0.00 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2wxm h GLU 149 Cb 0.61 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2wxm h GLU 149 CO 0.04 0.89 -0.11 0.00 -1.00 0.00 0.00 179.01 178.84 2wxm h ALA 150 N 0.92 0.02 -0.40 3.43 0.00 -0.94 -2.06 119.26 120.24 2wxm h ALA 150 Ca 0.13 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2wxm h ALA 150 Cb 0.52 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2wxm h ALA 150 CO 0.03 -0.55 0.27 0.00 0.00 0.00 0.00 179.25 179.00 2wxm h ALA 151 N 1.02 1.96 -0.22 0.00 0.00 -1.12 -1.09 119.26 119.82 2wxm h ALA 151 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2wxm h ALA 151 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wxm h ALA 151 CO -0.23 -0.03 -0.11 0.00 0.00 0.00 0.00 179.25 178.87 2wxm h ALA 152 N 1.78 0.31 -0.73 0.00 0.00 -0.83 -2.49 119.26 117.30 2wxm h ALA 152 Ca 0.17 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2wxm h ALA 152 Cb 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2wxm h ALA 152 CO -0.04 0.16 0.48 1.25 0.00 0.00 0.00 179.25 181.10 2wxm h HIS 153 N 0.17 0.70 -0.23 0.00 6.17 -0.57 -2.54 115.15 118.84 2wxm h HIS 153 Ca 0.05 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.06 2wxm h HIS 153 Cb 0.61 -0.23 -0.00 0.00 2.52 0.00 0.00 27.41 30.31 2wxm h HIS 153 CO 0.06 0.34 -0.19 -0.09 0.71 0.00 0.00 177.93 178.77 2wxm h ARG 154 N 0.67 0.53 0.00 5.26 2.43 -1.04 -3.09 114.38 119.13 2wxm h ARG 154 Ca 0.33 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wxm h ARG 154 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2wxm h ARG 154 CO -0.12 0.84 0.00 1.04 -1.51 0.00 0.00 179.97 180.22 2wxm n GLN 155 N -4.43 0.57 0.00 0.20 1.13 -0.96 -1.32 117.38 112.57 2wxm n GLN 155 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2wxm n GLN 155 Cb 0.40 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2wxm n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxm n GLN 156 N -0.95 0.10 -1.63 -1.09 10.64 -1.19 -4.97 117.38 118.29 2wxm n GLN 156 Ca 0.12 -0.77 -0.39 0.00 -1.83 0.00 0.00 57.00 54.13 2wxm n GLN 156 Cb 0.06 -1.00 0.04 0.00 -0.86 0.00 0.00 30.24 28.48 2wxm n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2wxm n LEU 157 N -0.14 3.69 -4.58 2.61 4.77 -0.44 -5.01 117.00 117.91 2wxm n LEU 157 Ca 0.00 0.88 -0.29 0.00 -0.03 0.00 0.00 56.01 56.57 2wxm n LEU 157 Cb 0.07 -1.41 0.21 0.00 -2.33 0.00 0.00 43.42 39.96 2wxm n LEU 157 CO 0.00 -1.60 0.58 -0.83 -1.33 0.00 0.00 177.39 174.22 2wxm s GLY 158 N -1.08 1.58 0.13 -0.72 0.00 -1.26 -4.72 107.32 101.25 2wxm s GLY 158 Ca 0.72 -0.04 -0.14 0.00 0.00 0.00 0.00 44.72 45.26 2wxm s GLY 158 CO 0.50 0.58 1.54 0.11 0.00 0.00 0.00 173.10 175.84 2wxm h TRP 159 N -2.24 0.85 -0.74 1.90 5.08 -1.94 0.30 115.95 119.15 2wxm h TRP 159 Ca -0.56 -0.17 0.02 0.00 1.08 0.00 0.00 58.89 59.26 2wxm h TRP 159 Cb 1.32 -0.21 -0.04 0.00 -3.00 0.00 0.00 29.16 27.22 2wxm h TRP 159 CO 0.33 0.87 0.48 0.28 -1.28 0.00 0.00 178.44 179.12 2wxm h VAL 160 N 0.58 1.13 0.00 0.12 2.07 -1.97 -0.72 116.25 117.46 2wxm h VAL 160 Ca 0.11 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2wxm h VAL 160 Cb 0.58 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2wxm h VAL 160 CO 0.03 0.17 -0.35 -0.33 0.02 0.00 0.00 177.57 177.12 2wxm h GLU 161 N 0.94 0.00 -0.08 1.57 5.08 -1.78 -0.64 114.58 119.68 2wxm h GLU 161 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2wxm h GLU 161 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2wxm h GLU 161 CO -0.10 0.35 -0.03 2.35 -1.00 0.00 0.00 179.01 180.58 2wxm h TRP 162 N 0.00 0.18 -0.57 4.33 2.91 0.64 -1.29 115.95 122.15 2wxm h TRP 162 Ca -0.00 -0.04 0.11 0.00 1.13 0.00 0.00 58.89 60.08 2wxm h TRP 162 Cb 0.62 -0.04 -0.08 0.00 -0.51 0.00 0.00 29.16 29.14 2wxm h TRP 162 CO 0.00 0.51 0.11 -0.07 -1.03 0.00 0.00 178.44 177.96 2wxm h LEU 163 N -0.20 -0.02 -1.39 0.65 3.38 -0.91 0.72 115.31 117.54 2wxm h LEU 163 Ca 0.02 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2wxm h LEU 163 Cb 0.46 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2wxm h LEU 163 CO 0.01 0.00 0.45 1.56 0.09 0.00 0.00 178.44 180.56 2wxm h GLN 164 N 0.24 0.76 -0.16 1.13 4.20 -0.91 0.30 115.11 120.67 2wxm h GLN 164 Ca 0.30 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 2wxm h GLN 164 Cb 0.43 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2wxm h GLN 164 CO -0.39 0.50 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.21 2wxm h TYR 165 N 0.78 0.45 0.09 2.96 3.20 0.15 -3.33 116.97 121.28 2wxm h TYR 165 Ca 0.28 -0.13 -0.34 0.00 3.14 0.00 0.00 58.73 61.68 2wxm h TYR 165 Cb 0.14 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2wxm h TYR 165 CO -0.00 0.75 -1.89 1.03 -1.64 0.00 0.00 178.16 176.40 2wxm h SER 166 N 0.02 0.31 -2.15 -2.11 0.87 -0.48 -1.32 113.55 108.70 2wxm h SER 166 Ca 0.03 -0.69 -0.58 0.00 -1.23 0.00 0.00 61.79 59.32 2wxm h SER 166 Cb 0.66 -0.10 -0.40 0.00 -0.44 0.00 0.00 62.40 62.12 2wxm h SER 166 CO 0.04 1.61 -0.86 0.49 -0.53 0.00 0.00 176.83 177.58 2wxm n PHE 167 N -3.37 1.45 -1.83 2.24 3.72 0.10 -4.73 117.46 115.04 2wxm n PHE 167 Ca -0.27 -3.83 -0.40 0.00 -0.05 0.00 0.00 57.45 52.90 2wxm n PHE 167 Cb 1.05 -0.42 0.02 0.00 -0.94 0.00 0.00 39.48 39.19 2wxm n PHE 167 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2wxm s PRO 168 N -1.67 3.66 0.50 -1.08 0.02 -1.25 -4.62 135.00 130.56 2wxm s PRO 168 Ca 0.36 2.36 -0.23 0.00 0.02 0.00 0.00 61.00 63.52 2wxm s PRO 168 Cb 0.14 -2.62 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 2wxm s PRO 168 CO -0.08 -0.82 1.33 -0.51 -0.33 0.00 0.00 177.00 176.60 2wxm s LEU 169 N -2.77 3.97 -0.54 -5.54 1.43 -1.26 -4.88 118.68 109.08 2wxm s LEU 169 Ca 0.62 2.70 -0.01 0.00 -1.03 0.00 0.00 54.13 56.40 2wxm s LEU 169 Cb -0.43 -4.17 0.14 0.00 0.03 0.00 0.00 46.19 41.77 2wxm s LEU 169 CO 0.54 -1.30 0.33 -1.10 0.23 0.00 0.00 176.35 175.05 2wxm s GLN 170 N -2.71 2.26 0.25 1.70 -0.21 -1.26 -5.08 119.66 114.61 2wxm s GLN 170 Ca 0.67 -2.33 0.05 0.00 0.02 0.00 0.00 55.36 53.77 2wxm s GLN 170 Cb -0.39 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.00 2wxm s GLN 170 CO 0.47 -1.12 0.37 -0.51 -2.12 0.00 0.00 175.29 172.38 2wxm s LEU 171 N 0.26 4.27 0.24 2.90 1.43 -1.26 -0.63 118.68 125.89 2wxm s LEU 171 Ca 0.14 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 2wxm s LEU 171 Cb -0.22 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 43.07 2wxm s LEU 171 CO -0.03 -0.11 0.96 -1.61 0.23 0.00 0.00 176.35 175.78 2wxm s GLU 172 N -4.00 4.83 0.00 1.70 0.41 0.11 -4.55 118.70 117.20 2wxm s GLU 172 Ca 0.35 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.43 2wxm s GLU 172 Cb -0.09 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 2wxm s GLU 172 CO 0.29 0.48 0.51 -2.30 -0.49 0.00 0.00 175.26 173.75 2wxm n PRO 173 N 1.52 0.00 0.00 0.39 -0.02 -1.26 -5.02 135.00 130.61 2wxm n PRO 173 Ca -0.02 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2wxm n PRO 173 Cb 0.47 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2wxm n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wxm n ASN 187 N -1.01 0.00 -4.13 2.55 5.15 -1.26 -4.85 115.26 111.70 2wxm n ASN 187 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 2wxm n ASN 187 Cb 0.41 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.54 2wxm n ASN 187 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2wxm s ARG 188 N 0.00 0.71 0.22 1.20 3.00 -1.26 -5.03 118.95 117.79 2wxm s ARG 188 Ca 0.00 -0.87 -0.02 0.00 -1.00 0.00 0.00 55.73 53.84 2wxm s ARG 188 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 34.95 34.28 2wxm s ARG 188 CO 0.00 0.13 0.43 0.00 0.00 0.00 0.00 175.30 175.87 2wxm s ALA 189 N -1.30 3.77 -0.01 6.12 0.00 -1.26 -0.13 121.76 128.96 2wxm s ALA 189 Ca -0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 2wxm s ALA 189 Cb -0.10 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2wxm s ALA 189 CO 0.02 0.40 0.16 -0.48 0.00 0.00 0.00 175.76 175.85 2wxm s LEU 190 N -3.33 1.47 0.04 0.00 2.34 0.25 -4.82 118.68 114.63 2wxm s LEU 190 Ca 0.40 -0.12 -0.28 0.00 0.06 0.00 0.00 54.13 54.19 2wxm s LEU 190 Cb -0.11 0.72 -0.05 0.00 -0.56 0.00 0.00 46.19 46.19 2wxm s LEU 190 CO 0.29 -0.35 0.89 -0.76 -1.06 0.00 0.00 176.35 175.36 2wxm s LEU 191 N -1.23 4.43 -0.00 1.48 1.43 -1.26 -1.39 118.68 122.14 2wxm s LEU 191 Ca -0.13 1.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2wxm s LEU 191 Cb -0.07 -3.43 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 2wxm s LEU 191 CO 0.02 -0.11 -0.04 -0.69 0.23 0.00 0.00 176.35 175.76 2wxm s VAL 192 N 0.37 0.31 -0.21 -1.59 1.01 -0.53 -3.86 120.40 115.90 2wxm s VAL 192 Ca 0.45 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 2wxm s VAL 192 Cb -0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2wxm s VAL 192 CO 0.26 0.09 0.13 0.21 0.00 0.00 0.00 175.10 175.79 2wxm s ASN 193 N -0.06 6.11 0.06 3.32 3.84 -0.28 -0.65 114.94 127.28 2wxm s ASN 193 Ca 0.01 0.17 0.06 0.00 0.21 0.00 0.00 52.86 53.31 2wxm s ASN 193 Cb -0.02 -2.08 -0.03 0.00 -0.55 0.00 0.00 41.25 38.58 2wxm s ASN 193 CO -0.00 0.14 -0.16 -0.69 -2.79 0.00 0.00 177.10 173.60 2wxm s VAL 194 N 0.59 1.25 0.17 -5.21 1.01 -0.60 -0.17 120.40 117.43 2wxm s VAL 194 Ca 0.07 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 2wxm s VAL 194 Cb -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.13 2wxm s VAL 194 CO 0.00 -0.08 0.42 -1.59 0.00 0.00 0.00 175.10 173.86 2wxm s LYS 195 N -1.49 1.24 0.24 2.72 -2.85 -0.79 -1.66 119.74 117.15 2wxm s LYS 195 Ca 0.01 -0.91 0.03 0.00 -1.00 0.00 0.00 55.97 54.10 2wxm s LYS 195 Cb -0.09 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2wxm s LYS 195 CO 0.02 -0.50 0.39 -0.06 0.10 0.00 0.00 175.35 175.30 2wxm s PHE 196 N -3.88 3.47 0.24 1.78 0.08 -1.26 -0.06 117.98 118.35 2wxm s PHE 196 Ca 0.10 0.13 -0.06 0.00 0.12 0.00 0.00 56.93 57.21 2wxm s PHE 196 Cb 0.01 -1.69 0.43 0.00 -0.57 0.00 0.00 43.02 41.20 2wxm s PHE 196 CO -0.04 0.38 1.67 1.49 -0.10 0.00 0.00 175.22 178.62 2wxm h GLU 197 N 1.38 0.21 -0.26 0.44 4.81 -1.81 -3.14 114.58 116.20 2wxm h GLU 197 Ca -0.50 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 58.52 2wxm h GLU 197 Cb 1.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2wxm h GLU 197 CO 0.63 0.14 -0.59 0.78 -0.73 0.00 0.00 179.01 179.24 2wxm h GLY 198 N 0.22 0.94 -2.39 1.92 0.00 -1.95 -3.48 103.07 98.34 2wxm h GLY 198 Ca 0.40 -1.15 -0.52 0.00 0.00 0.00 0.00 47.33 46.06 2wxm h GLY 198 CO -0.53 1.03 -0.48 -0.45 0.00 0.00 0.00 176.54 176.11 2wxm s SER 199 N -6.97 4.99 -0.15 0.19 0.15 -1.19 -5.08 113.70 105.64 2wxm s SER 199 Ca -0.11 -0.65 -0.23 0.00 0.70 0.00 0.00 55.95 55.66 2wxm s SER 199 Cb 0.10 -0.82 -0.20 0.00 -1.71 0.00 0.00 66.02 63.38 2wxm s SER 199 CO 0.89 -0.37 0.51 -0.33 1.20 0.00 0.00 173.24 175.15 2wxm h GLU 200 N 1.35 0.00 -6.05 5.44 3.07 -1.93 -3.42 114.58 113.05 2wxm h GLU 200 Ca -0.44 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 57.75 2wxm h GLU 200 Cb 1.25 0.00 0.11 0.00 -0.84 0.00 0.00 28.75 29.27 2wxm h GLU 200 CO 0.61 0.82 -0.44 0.39 -1.40 0.00 0.00 179.01 179.00 2wxm n GLU 201 N -4.60 0.14 -4.05 2.33 1.02 -1.26 -4.98 120.64 109.25 2wxm n GLU 201 Ca -0.13 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 56.96 2wxm n GLU 201 Cb 0.45 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.68 2wxm n GLU 201 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wxm s SER 202 N -0.91 0.10 0.11 1.62 1.04 -1.26 -4.58 113.70 109.83 2wxm s SER 202 Ca 0.65 -1.04 0.08 0.00 0.48 0.00 0.00 55.95 56.12 2wxm s SER 202 Cb -0.92 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.58 2wxm s SER 202 CO 0.56 -0.88 -0.21 -0.36 0.98 0.00 0.00 173.24 173.34 2wxm s PHE 203 N -4.02 1.80 -0.30 5.02 0.08 -0.66 -4.99 117.98 114.91 2wxm s PHE 203 Ca 0.23 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 2wxm s PHE 203 Cb 0.04 -0.98 0.06 0.00 -0.57 0.00 0.00 43.02 41.57 2wxm s PHE 203 CO 0.03 0.22 -0.01 0.99 -0.10 0.00 0.00 175.22 176.35 2wxm s THR 204 N -1.26 2.84 0.30 0.64 2.01 -1.26 -1.56 115.64 117.35 2wxm s THR 204 Ca 0.08 -1.48 -0.05 0.00 0.31 0.00 0.00 61.69 60.55 2wxm s THR 204 Cb -0.10 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 2wxm s THR 204 CO 0.05 -0.13 0.57 -0.36 -0.69 0.00 0.00 174.62 174.06 2wxm s PHE 205 N 1.21 3.48 -0.16 4.92 0.08 0.17 -4.90 117.98 122.78 2wxm s PHE 205 Ca -0.05 0.65 -0.06 0.00 0.12 0.00 0.00 56.93 57.59 2wxm s PHE 205 Cb -0.20 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2wxm s PHE 205 CO -0.02 0.15 0.05 -1.14 -0.10 0.00 0.00 175.22 174.15 2wxm s GLN 206 N -3.62 3.80 0.24 0.44 0.74 -1.26 -1.46 119.66 118.54 2wxm s GLN 206 Ca 0.44 -0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.55 2wxm s GLN 206 Cb -0.11 -3.13 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 2wxm s GLN 206 CO 0.31 0.35 0.20 1.33 -0.55 0.00 0.00 175.29 176.92 2wxm n VAL 207 N 3.27 0.00 -4.15 1.34 0.24 -0.48 -4.96 118.33 113.59 2wxm n VAL 207 Ca -0.17 -1.74 -0.35 0.00 -2.04 0.00 0.00 64.34 60.04 2wxm n VAL 207 Cb 0.53 0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 33.67 2wxm n VAL 207 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wxm s SER 208 N -2.67 5.71 0.64 -1.34 0.15 -1.26 0.85 113.70 115.78 2wxm s SER 208 Ca 0.28 0.24 0.31 0.00 0.70 0.00 0.00 55.95 57.47 2wxm s SER 208 Cb 0.01 -1.70 1.67 0.00 -1.71 0.00 0.00 66.02 64.30 2wxm s SER 208 CO 0.20 0.35 1.98 0.71 1.20 0.00 0.00 173.24 177.68 2wxm h THR 209 N 3.81 0.14 0.00 6.45 1.35 -0.84 -1.76 112.91 122.05 2wxm h THR 209 Ca -0.51 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.23 2wxm h THR 209 Cb 1.20 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 2wxm h THR 209 CO 0.58 0.00 -0.62 0.07 -0.25 0.00 0.00 175.52 175.30 2wxm h LYS 210 N 0.00 0.00 -6.86 4.72 2.10 -1.94 -1.92 116.57 112.67 2wxm h LYS 210 Ca 0.05 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.14 2wxm h LYS 210 Cb 0.69 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 32.17 2wxm h LYS 210 CO -0.00 0.47 0.27 -0.25 -2.00 0.00 0.00 179.45 177.93 2wxm n ASP 211 N -3.18 1.39 -4.86 7.07 8.00 -0.66 -4.36 116.55 119.95 2wxm n ASP 211 Ca 0.01 0.89 -0.31 0.00 0.71 0.00 0.00 54.79 56.08 2wxm n ASP 211 Cb 0.75 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.40 2wxm n ASP 211 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wxm s MET 212 N -2.67 3.75 0.44 -1.24 -1.94 -1.26 -1.28 119.30 115.09 2wxm s MET 212 Ca 0.73 0.80 0.11 0.00 -1.71 0.00 0.00 55.69 55.62 2wxm s MET 212 Cb -0.44 -2.12 1.00 0.00 2.01 0.00 0.00 34.83 35.27 2wxm s MET 212 CO 0.49 -0.42 2.05 -1.35 -0.01 0.00 0.00 175.02 175.79 2wxm h PRO 213 N 0.26 0.38 -0.47 2.03 0.11 -1.79 -2.23 132.00 130.31 2wxm h PRO 213 Ca -0.45 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 2wxm h PRO 213 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2wxm h PRO 213 CO 0.62 0.25 0.05 1.25 -0.21 0.00 0.00 178.00 179.96 2wxm h LEU 214 N 0.39 0.70 -0.78 2.35 5.85 -1.93 0.06 115.31 121.94 2wxm h LEU 214 Ca 0.16 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2wxm h LEU 214 Cb 0.15 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2wxm h LEU 214 CO -0.04 0.73 0.45 0.00 -0.34 0.00 0.00 178.44 179.25 2wxm h ALA 215 N 1.35 1.00 0.01 1.25 0.00 -1.79 0.02 119.26 121.11 2wxm h ALA 215 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wxm h ALA 215 Cb 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wxm h ALA 215 CO 0.01 0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.99 2wxm h LEU 216 N 1.08 -0.01 -1.17 0.00 6.46 -1.28 -2.72 115.31 117.67 2wxm h LEU 216 Ca 0.28 -0.28 0.13 0.00 -0.12 0.00 0.00 57.88 57.89 2wxm h LEU 216 Cb -0.01 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 39.85 2wxm h LEU 216 CO -0.05 0.27 0.60 0.24 -0.62 0.00 0.00 178.44 178.88 2wxm h MET 217 N -0.30 0.80 -0.32 1.25 2.86 -0.70 0.18 114.93 118.69 2wxm h MET 217 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wxm h MET 217 Cb 0.29 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2wxm h MET 217 CO 0.00 0.53 0.21 0.00 1.06 0.00 0.00 176.91 178.71 2wxm h ALA 218 N 1.58 1.78 0.13 6.32 0.00 -0.76 -1.65 119.26 126.65 2wxm h ALA 218 Ca 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2wxm h ALA 218 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wxm h ALA 218 CO -0.23 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.16 2wxm h ALA 220 N -0.04 -0.16 -0.37 0.00 0.00 -1.12 0.15 119.26 117.72 2wxm h ALA 220 Ca -0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wxm h ALA 220 Cb 0.54 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2wxm h ALA 220 CO 0.03 -0.71 0.12 -0.07 0.00 0.00 0.00 179.25 178.62 2wxm h LEU 221 N -0.25 0.53 -0.81 0.00 3.38 -1.41 0.79 115.31 117.54 2wxm h LEU 221 Ca 0.16 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2wxm h LEU 221 Cb 0.52 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2wxm h LEU 221 CO -0.50 0.58 0.44 0.03 0.09 0.00 0.00 178.44 179.08 2wxm h ARG 222 N 0.44 0.69 -0.52 1.13 3.08 -1.00 0.73 114.38 118.93 2wxm h ARG 222 Ca 0.12 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 2wxm h ARG 222 Cb 0.24 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2wxm h ARG 222 CO -0.01 0.46 -0.08 0.87 -1.07 0.00 0.00 179.97 180.14 2wxm h LYS 223 N 0.71 0.95 -0.50 0.04 1.79 0.53 -2.69 116.57 117.40 2wxm h LYS 223 Ca 0.40 -0.32 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 2wxm h LYS 223 Cb 0.44 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2wxm h LYS 223 CO -0.28 0.98 -0.15 -0.22 -1.08 0.00 0.00 179.45 178.70 2wxm h LYS 224 N 0.85 0.97 -0.48 3.15 3.64 -0.09 -3.04 116.57 121.58 2wxm h LYS 224 Ca 0.14 -0.38 0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2wxm h LYS 224 Cb 0.61 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2wxm h LYS 224 CO 0.04 1.05 0.32 0.00 -2.27 0.00 0.00 179.45 178.59 2wxm h ALA 225 N 0.96 1.75 0.00 5.00 0.00 -0.57 0.20 119.26 126.60 2wxm h ALA 225 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wxm h ALA 225 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wxm h ALA 225 CO 0.05 0.21 -0.00 1.79 0.00 0.00 0.00 179.25 181.30 2wxm h THR 226 N 0.57 1.65 0.74 0.00 1.35 -1.40 1.28 112.91 117.10 2wxm h THR 226 Ca 0.19 -2.16 -0.04 0.00 -0.55 0.00 0.00 66.41 63.85 2wxm h THR 226 Cb 0.05 3.07 0.01 0.00 -1.73 0.00 0.00 68.15 69.55 2wxm h THR 226 CO -0.05 0.54 -0.36 0.58 -0.25 0.00 0.00 175.52 175.99 2wxm h VAL 227 N -0.96 0.23 0.00 6.82 2.07 -1.52 -2.80 116.25 120.09 2wxm h VAL 227 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2wxm h VAL 227 Cb 0.90 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2wxm h VAL 227 CO 0.00 0.01 0.00 0.33 0.02 0.00 0.00 177.57 177.93 2wxm n PHE 228 N -5.50 0.00 -0.58 1.57 7.35 0.71 -4.86 117.46 116.15 2wxm n PHE 228 Ca -0.14 -0.50 -0.01 0.00 -0.76 0.00 0.00 57.45 56.05 2wxm n PHE 228 Cb 0.41 -0.25 -0.00 0.00 0.35 0.00 0.00 39.48 39.98 2wxm n PHE 228 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2wxm n ARG 229 N 0.55 -1.94 -1.40 -4.13 5.12 -0.82 -4.83 116.66 109.21 2wxm n ARG 229 Ca 0.00 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 2wxm n ARG 229 Cb 0.48 -3.89 0.00 0.00 -1.16 0.00 0.00 32.46 27.89 2wxm n ARG 229 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wxm n GLN 230 N 0.36 -3.90 -2.99 5.56 7.27 0.44 -4.94 117.38 119.18 2wxm n GLN 230 Ca -0.01 2.95 0.04 0.00 0.07 0.00 0.00 57.00 60.05 2wxm n GLN 230 Cb 0.27 -3.46 0.00 0.00 2.41 0.00 0.00 30.24 29.46 2wxm n GLN 230 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2wxm s GLN 235 N -4.48 0.17 0.37 3.69 2.00 -1.26 -5.10 119.66 115.05 2wxm s GLN 235 Ca 0.00 0.04 0.15 0.00 -2.00 0.00 0.00 55.36 53.55 2wxm s GLN 235 Cb 0.00 0.05 1.00 0.00 0.80 0.00 0.00 33.01 34.85 2wxm s GLN 235 CO 0.00 -0.28 1.79 -1.35 -0.50 0.00 0.00 175.29 174.95 2wxm h PRO 236 N 6.45 0.49 0.00 1.67 0.11 -1.93 -0.50 132.00 138.29 2wxm h PRO 236 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2wxm h PRO 236 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wxm h PRO 236 CO -0.08 0.32 0.00 0.39 -0.21 0.00 0.00 178.00 178.42 2wxm n GLU 237 N -4.65 0.00 -0.13 1.05 4.71 -1.26 -2.42 120.64 117.94 2wxm n GLU 237 Ca 0.24 0.38 0.06 0.00 -0.01 0.00 0.00 57.16 57.83 2wxm n GLU 237 Cb 0.76 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.88 2wxm n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wxm n GLU 238 N -1.49 1.67 -4.22 3.49 -0.58 -0.20 -4.93 120.64 114.38 2wxm n GLU 238 Ca 0.02 -1.04 -0.14 0.00 -0.42 0.00 0.00 57.16 55.57 2wxm n GLU 238 Cb 0.07 -1.26 -0.10 0.00 -0.57 0.00 0.00 31.44 29.58 2wxm n GLU 238 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wxm s TYR 239 N -1.65 1.20 0.12 -0.32 2.02 -1.01 -0.82 117.35 116.88 2wxm s TYR 239 Ca 0.22 -0.73 0.08 0.00 -0.37 0.00 0.00 57.07 56.27 2wxm s TYR 239 Cb 0.12 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 2wxm s TYR 239 CO 0.16 0.05 -0.18 0.00 -1.57 0.00 0.00 175.55 174.01 2wxm s ALA 240 N -3.02 1.74 -0.29 3.71 0.00 0.10 -4.98 121.76 119.01 2wxm s ALA 240 Ca 0.13 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 2wxm s ALA 240 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2wxm s ALA 240 CO 0.00 0.26 0.42 -0.51 0.00 0.00 0.00 175.76 175.93 2wxm s LEU 241 N -2.20 4.13 0.08 0.00 1.43 -0.93 -0.65 118.68 120.54 2wxm s LEU 241 Ca 0.08 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 2wxm s LEU 241 Cb -0.08 -2.48 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 2wxm s LEU 241 CO 0.04 -0.26 0.50 -1.58 0.23 0.00 0.00 176.35 175.28 2wxm s GLN 242 N 2.16 4.00 0.00 1.70 0.74 0.15 0.17 119.66 128.58 2wxm s GLN 242 Ca 0.16 0.50 -0.30 0.00 0.05 0.00 0.00 55.36 55.77 2wxm s GLN 242 Cb -0.16 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2wxm s GLN 242 CO 0.10 0.60 1.16 0.08 -0.55 0.00 0.00 175.29 176.68 2wxm s VAL 243 N -1.25 4.26 0.19 1.34 1.01 0.12 -0.52 120.40 125.56 2wxm s VAL 243 Ca 0.31 1.61 -0.33 0.00 0.00 0.00 0.00 61.98 63.57 2wxm s VAL 243 Cb -0.17 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 2wxm s VAL 243 CO 0.17 0.07 1.59 0.59 0.00 0.00 0.00 175.10 177.52 2wxm n ASN 244 N 4.45 3.29 -1.07 3.32 4.13 -0.30 -2.10 115.26 126.99 2wxm n ASN 244 Ca 0.09 1.09 -0.14 0.00 1.68 0.00 0.00 54.58 57.31 2wxm n ASN 244 Cb 0.47 -1.47 -0.06 0.00 -1.54 0.00 0.00 39.78 37.18 2wxm n ASN 244 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wxm n GLY 245 N 3.27 1.41 3.00 7.41 0.00 -1.20 -4.41 105.19 114.66 2wxm n GLY 245 Ca 0.15 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2wxm n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wxm s ARG 246 N -3.20 0.36 -1.51 1.61 0.52 -0.89 -4.32 118.95 111.53 2wxm s ARG 246 Ca 0.00 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.43 2wxm s ARG 246 Cb 0.00 0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.55 2wxm s ARG 246 CO 0.00 -0.05 2.57 0.72 0.02 0.00 0.00 175.30 178.57 2wxm n HIS 247 N 1.46 2.82 -3.81 -0.53 8.25 0.06 -4.54 115.22 118.94 2wxm n HIS 247 Ca -0.23 -3.00 -0.13 0.00 -0.26 0.00 0.00 57.72 54.11 2wxm n HIS 247 Cb 0.55 -2.38 -0.13 0.00 1.12 0.00 0.00 29.99 29.16 2wxm n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2wxm s GLU 248 N 1.87 0.19 0.07 -0.41 2.12 -1.26 -4.62 118.70 116.65 2wxm s GLU 248 Ca 0.58 0.24 0.03 0.00 0.36 0.00 0.00 54.97 56.19 2wxm s GLU 248 Cb 0.16 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 2wxm s GLU 248 CO -0.07 -0.03 -0.10 0.71 -0.54 0.00 0.00 175.26 175.23 2wxm s TYR 249 N 0.17 0.94 -0.21 5.30 1.51 -1.26 -0.70 117.35 123.11 2wxm s TYR 249 Ca -0.01 -0.54 -0.03 0.00 -1.01 0.00 0.00 57.07 55.48 2wxm s TYR 249 Cb -0.02 -0.54 -0.00 0.00 -0.11 0.00 0.00 41.96 41.29 2wxm s TYR 249 CO -0.00 -0.02 -0.07 -0.51 -1.11 0.00 0.00 175.55 173.83 2wxm s LEU 250 N -1.89 2.77 0.28 -1.29 1.02 0.44 -4.73 118.68 115.27 2wxm s LEU 250 Ca -0.03 -0.42 -0.21 0.00 0.02 0.00 0.00 54.13 53.49 2wxm s LEU 250 Cb -0.08 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.47 2wxm s LEU 250 CO 0.01 -0.00 0.74 -0.72 0.02 0.00 0.00 176.35 176.39 2wxm s TYR 251 N 1.35 -0.16 0.00 0.29 -0.85 -1.26 -2.18 117.35 114.54 2wxm s TYR 251 Ca 0.04 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 2wxm s TYR 251 Cb -0.14 0.72 0.00 0.00 0.38 0.00 0.00 41.96 42.92 2wxm s TYR 251 CO -0.04 -1.24 0.00 0.41 -1.52 0.00 0.00 175.55 173.16 2wxm n GLY 252 N -0.47 0.70 3.44 5.49 0.00 -1.26 -4.78 105.19 108.32 2wxm n GLY 252 Ca -0.04 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.55 2wxm n GLY 252 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxm s ASN 253 N -0.45 6.92 -0.07 1.61 0.01 -1.26 -4.48 114.94 117.23 2wxm s ASN 253 Ca 0.00 -2.69 -0.06 0.00 -0.71 0.00 0.00 52.86 49.40 2wxm s ASN 253 Cb 0.00 -2.37 0.02 0.00 0.41 0.00 0.00 41.25 39.31 2wxm s ASN 253 CO 0.00 -0.81 0.18 -0.31 -1.51 0.00 0.00 177.10 174.65 2wxm s TYR 254 N 1.64 -0.20 0.69 2.20 2.02 -1.26 -5.11 117.35 117.32 2wxm s TYR 254 Ca 0.37 0.49 -0.16 0.00 -0.37 0.00 0.00 57.07 57.40 2wxm s TYR 254 Cb -0.05 0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.58 2wxm s TYR 254 CO -0.05 -0.11 1.21 -1.25 -1.57 0.00 0.00 175.55 173.78 2wxm s PRO 255 N 0.26 2.41 0.28 -1.71 0.04 -1.26 -4.05 135.00 130.97 2wxm s PRO 255 Ca -0.01 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 2wxm s PRO 255 Cb -0.03 -1.87 0.43 0.00 0.04 0.00 0.00 34.50 33.08 2wxm s PRO 255 CO -0.01 -1.63 1.91 -0.07 0.04 0.00 0.00 177.00 177.24 2wxm h LEU 256 N 0.05 1.01 0.00 -3.56 3.38 -0.41 -0.58 115.31 115.20 2wxm h LEU 256 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2wxm h LEU 256 Cb 1.29 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2wxm h LEU 256 CO 0.52 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.71 2wxm h HIS 258 N 0.00 0.00 -3.03 0.00 3.86 -1.38 -3.39 115.15 111.21 2wxm h HIS 258 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 2wxm h HIS 258 Cb 0.24 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2wxm h HIS 258 CO 0.00 0.17 0.76 -0.06 0.86 0.00 0.00 177.93 179.66 2wxm s PHE 259 N -3.53 3.09 0.46 2.45 0.08 -0.64 0.10 117.98 119.99 2wxm s PHE 259 Ca 0.02 1.15 0.30 0.00 0.12 0.00 0.00 56.93 58.52 2wxm s PHE 259 Cb 0.09 -3.45 1.39 0.00 -0.57 0.00 0.00 43.02 40.49 2wxm s PHE 259 CO 0.63 -1.43 1.70 1.96 -0.10 0.00 0.00 175.22 177.98 2wxm h GLN 260 N 7.68 0.14 0.12 0.44 4.20 -1.11 0.72 115.11 127.30 2wxm h GLN 260 Ca -0.32 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.13 2wxm h GLN 260 Cb 1.14 -0.03 0.03 0.00 0.30 0.00 0.00 27.48 28.92 2wxm h GLN 260 CO 0.91 0.09 -1.08 -0.92 -0.67 0.00 0.00 178.83 177.16 2wxm h TYR 261 N 0.15 0.86 -0.18 2.96 3.20 -1.92 -1.49 116.97 120.55 2wxm h TYR 261 Ca 0.71 -0.55 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2wxm h TYR 261 Cb 2.32 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 40.51 2wxm h TYR 261 CO -0.00 1.40 -0.16 0.82 -1.64 0.00 0.00 178.16 178.57 2wxm h ILE 262 N 0.08 1.21 0.55 1.81 1.08 -1.20 -2.08 117.51 118.96 2wxm h ILE 262 Ca -0.17 -0.94 -0.03 0.00 -0.39 0.00 0.00 64.86 63.34 2wxm h ILE 262 Cb 1.79 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 2wxm h ILE 262 CO 0.21 0.29 -0.31 0.00 -0.69 0.00 0.00 178.15 177.65 2wxm n SER 264 N -4.27 -0.29 -0.32 0.00 2.88 -0.57 -0.20 113.62 110.85 2wxm n SER 264 Ca -0.10 1.64 0.03 0.00 -1.33 0.00 0.00 58.87 59.11 2wxm n SER 264 Cb 0.32 -0.52 0.18 0.00 -0.75 0.00 0.00 64.21 63.44 2wxm n SER 264 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxm h LEU 266 N 0.94 0.40 0.20 0.00 3.38 -0.46 0.34 115.31 120.10 2wxm h LEU 266 Ca 0.42 -0.23 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 2wxm h LEU 266 Cb 0.32 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 40.98 2wxm h LEU 266 CO -0.22 0.93 -1.18 0.45 0.09 0.00 0.00 178.44 178.50 2wxm h HIS 267 N 0.25 0.76 0.00 1.13 3.86 -1.20 -3.32 115.15 116.64 2wxm h HIS 267 Ca -0.01 -0.56 -0.08 0.00 -1.16 0.00 0.00 60.37 58.57 2wxm h HIS 267 Cb 1.17 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 2wxm h HIS 267 CO 0.03 1.45 -0.37 0.66 0.86 0.00 0.00 177.93 180.57 2wxm h SER 268 N -0.11 0.00 0.00 2.45 4.64 -1.11 -3.48 113.55 115.94 2wxm h SER 268 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2wxm h SER 268 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 2wxm h SER 268 CO 0.21 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 2wxm n GLY 269 N 1.12 0.34 3.81 -0.77 0.00 0.10 -5.07 105.19 104.72 2wxm n GLY 269 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2wxm n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxm s LEU 270 N 0.00 3.62 -0.44 0.99 1.02 -0.20 -4.92 118.68 118.76 2wxm s LEU 270 Ca 0.00 1.79 -0.24 0.00 0.02 0.00 0.00 54.13 55.70 2wxm s LEU 270 Cb 0.00 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.70 2wxm s LEU 270 CO 0.00 -0.92 0.81 -0.89 0.02 0.00 0.00 176.35 175.37 2wxm s THR 271 N -2.36 4.63 0.20 5.49 2.01 -1.26 -4.51 115.64 119.83 2wxm s THR 271 Ca 0.63 0.58 -0.32 0.00 0.31 0.00 0.00 61.69 62.90 2wxm s THR 271 Cb -0.15 -4.32 -0.15 0.00 0.01 0.00 0.00 72.50 67.89 2wxm s THR 271 CO 0.31 -0.69 1.17 -2.65 -0.69 0.00 0.00 174.62 172.07 2wxm n PRO 272 N 6.75 1.30 -4.09 4.92 -0.02 -1.25 -4.71 135.00 137.89 2wxm n PRO 272 Ca 0.03 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 2wxm n PRO 272 Cb 0.48 -1.96 -0.15 0.00 -0.02 0.00 0.00 33.50 31.85 2wxm n PRO 272 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wxm s HIS 273 N -0.31 3.04 0.11 6.00 3.76 -1.26 -1.12 115.29 125.51 2wxm s HIS 273 Ca 0.70 -2.00 0.06 0.00 -0.15 0.00 0.00 55.06 53.67 2wxm s HIS 273 Cb -0.80 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 2wxm s HIS 273 CO 0.53 -0.84 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.91 2wxm s LEU 274 N 1.19 2.37 -0.06 0.89 1.43 0.76 -1.15 118.68 124.11 2wxm s LEU 274 Ca -0.02 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2wxm s LEU 274 Cb -0.17 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.45 2wxm s LEU 274 CO -0.09 -0.10 -0.18 -0.89 0.23 0.00 0.00 176.35 175.32 2wxm s THR 275 N -1.83 1.55 -0.24 5.49 2.01 0.33 -1.89 115.64 121.07 2wxm s THR 275 Ca 0.07 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 2wxm s THR 275 Cb -0.07 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 2wxm s THR 275 CO 0.03 0.44 1.28 -0.04 -0.69 0.00 0.00 174.62 175.65 2wxm s MET 276 N 0.14 4.06 -0.18 4.92 -1.94 0.91 -0.67 119.30 126.54 2wxm s MET 276 Ca -0.07 1.44 -0.01 0.00 -1.71 0.00 0.00 55.69 55.33 2wxm s MET 276 Cb -0.13 -3.82 -0.00 0.00 2.01 0.00 0.00 34.83 32.88 2wxm s MET 276 CO 0.03 -0.93 -0.11 0.08 -0.01 0.00 0.00 175.02 174.09 2wxm s VAL 277 N 3.97 2.94 0.60 -6.03 1.01 0.17 -2.28 120.40 120.79 2wxm s VAL 277 Ca 0.55 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 2wxm s VAL 277 Cb -0.19 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2wxm s VAL 277 CO 0.19 0.48 1.05 -2.28 0.00 0.00 0.00 175.10 174.54 2wxm s HIS 278 N 1.10 3.06 0.42 5.22 2.46 -1.26 -0.73 115.29 125.56 2wxm s HIS 278 Ca 0.00 1.49 0.08 0.00 0.47 0.00 0.00 55.06 57.11 2wxm s HIS 278 Cb -0.14 -2.97 0.89 0.00 -0.13 0.00 0.00 32.58 30.23 2wxm s HIS 278 CO -0.03 -1.05 2.05 0.66 -2.47 0.00 0.00 174.74 173.90 2wxm h SER 279 N 0.32 0.39 1.15 9.88 4.64 -1.36 -2.11 113.55 126.45 2wxm h SER 279 Ca -0.46 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2wxm h SER 279 Cb 1.21 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wxm h SER 279 CO 0.58 0.31 -0.03 0.77 -0.87 0.00 0.00 176.83 177.60 2wxm h SER 280 N 0.45 0.00 0.09 4.97 4.64 -1.93 -0.28 113.55 121.48 2wxm h SER 280 Ca 0.12 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2wxm h SER 280 Cb 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2wxm h SER 280 CO -0.02 0.03 -0.69 -1.28 -0.87 0.00 0.00 176.83 174.00 2wxm h SER 281 N 0.00 0.30 -0.86 4.97 0.87 -1.77 -2.75 113.55 114.29 2wxm h SER 281 Ca -0.00 -0.93 0.08 0.00 -1.23 0.00 0.00 61.79 59.71 2wxm h SER 281 Cb 0.61 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 2wxm h SER 281 CO 0.00 1.32 0.53 0.40 -0.53 0.00 0.00 176.83 178.55 2wxm h ILE 282 N -0.58 0.99 -0.08 2.23 2.04 -1.35 -2.24 117.51 118.52 2wxm h ILE 282 Ca -0.14 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 2wxm h ILE 282 Cb 1.46 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2wxm h ILE 282 CO 0.08 0.17 -0.38 -0.07 0.00 0.00 0.00 178.15 177.94 2wxm h LEU 283 N 0.93 0.17 -1.01 1.44 3.38 -1.12 -1.79 115.31 117.30 2wxm h LEU 283 Ca 0.39 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 2wxm h LEU 283 Cb 0.25 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2wxm h LEU 283 CO -0.20 0.54 0.25 0.00 0.09 0.00 0.00 178.44 179.13 2wxm h ALA 284 N 1.47 1.22 -0.24 1.53 0.00 -1.15 -0.71 119.26 121.37 2wxm h ALA 284 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2wxm h ALA 284 Cb 0.74 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2wxm h ALA 284 CO 0.06 0.57 0.08 0.52 0.00 0.00 0.00 179.25 180.48 2wxm h MET 285 N 0.94 0.37 -0.39 0.00 2.86 -0.83 -1.94 114.93 115.94 2wxm h MET 285 Ca 0.22 -0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 2wxm h MET 285 Cb 0.19 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 2wxm h MET 285 CO -0.02 0.44 -0.02 -0.09 1.06 0.00 0.00 176.91 178.29 2wxm h ARG 286 N 0.22 0.08 0.13 1.72 2.43 -0.93 -2.92 114.38 115.13 2wxm h ARG 286 Ca 0.08 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wxm h ARG 286 Cb 0.22 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2wxm h ARG 286 CO -0.00 0.05 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.00 2wxm h ASP 287 N 0.08 -0.18 0.00 -3.80 5.19 -1.03 -2.81 116.42 113.87 2wxm h ASP 287 Ca 0.19 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2wxm h ASP 287 Cb 0.27 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2wxm h ASP 287 CO -0.33 -0.12 0.08 1.05 -3.12 0.00 0.00 179.24 176.79 2wxm h GLU 288 N -0.20 0.00 -0.61 3.56 4.11 -1.15 -2.44 114.58 117.85 2wxm h GLU 288 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2wxm h GLU 288 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wxm h GLU 288 CO 0.02 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.14 2wxm n GLN 289 N -2.26 2.71 -2.19 1.06 6.02 -1.06 -4.98 117.38 116.68 2wxm n GLN 289 Ca -0.01 -2.48 -0.40 0.00 -0.01 0.00 0.00 57.00 54.10 2wxm n GLN 289 Cb 0.11 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 2wxm n GLN 289 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wxm s SER 290 N -1.05 6.70 0.00 1.08 1.04 -0.92 -4.29 113.70 116.26 2wxm s SER 290 Ca 0.42 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.41 2wxm s SER 290 Cb 0.22 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2wxm s SER 290 CO 0.29 -0.57 0.00 0.59 0.98 0.00 0.00 173.24 174.53 2wxm n ASN 291 N 0.58 0.00 0.00 7.02 5.03 -1.26 -4.84 115.26 121.79 2wxm n ASN 291 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2wxm n ASN 291 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 2wxm n ASN 291 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wxm n LEU 316 N 0.00 0.00 0.25 3.41 -0.00 -1.26 -5.06 117.00 114.33 2wxm n LEU 316 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 2wxm n LEU 316 Cb 0.00 0.00 0.89 0.00 -0.00 0.00 0.00 43.42 44.31 2wxm n LEU 316 CO 0.00 0.00 1.15 4.11 -0.00 0.00 0.00 177.39 182.65 2wxm h TRP 317 N 0.00 0.00 -0.08 1.47 5.08 -1.94 -3.18 115.95 117.30 2wxm h TRP 317 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2wxm h TRP 317 Cb 0.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2wxm h TRP 317 CO 0.00 0.00 0.05 0.77 -1.28 0.00 0.00 178.44 177.98 2wxm h SER 318 N 0.00 0.09 -3.17 0.11 0.02 -1.98 -3.43 113.55 105.20 2wxm h SER 318 Ca 0.06 -0.01 -0.56 0.00 -0.84 0.00 0.00 61.79 60.44 2wxm h SER 318 Cb 0.41 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 2wxm h SER 318 CO -0.00 0.07 1.08 -0.76 -1.14 0.00 0.00 176.83 176.09 2wxm s LEU 319 N -10.18 3.54 -0.00 5.07 1.43 -1.20 -4.87 118.68 112.47 2wxm s LEU 319 Ca -0.13 0.71 0.19 0.00 -1.03 0.00 0.00 54.13 53.87 2wxm s LEU 319 Cb 0.07 -3.43 -0.22 0.00 0.03 0.00 0.00 46.19 42.64 2wxm s LEU 319 CO 0.67 -1.51 0.78 -0.62 0.23 0.00 0.00 176.35 175.90 2wxm n GLU 320 N 8.22 0.66 -2.05 1.70 1.02 -1.26 -1.94 120.64 126.98 2wxm n GLU 320 Ca 0.16 -0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.90 2wxm n GLU 320 Cb 0.48 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 2wxm n GLU 320 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2wxm s GLN 321 N -2.87 3.56 0.38 3.49 0.00 -1.26 -4.64 119.66 118.33 2wxm s GLN 321 Ca 0.06 2.00 -0.28 0.00 -0.00 0.00 0.00 55.36 57.14 2wxm s GLN 321 Cb 0.14 -2.40 -0.11 0.00 0.00 0.00 0.00 33.01 30.64 2wxm s GLN 321 CO 0.79 -0.78 1.49 -2.30 0.00 0.00 0.00 175.29 174.49 2wxm n PRO 322 N -0.60 2.66 -1.56 9.60 -0.02 -1.26 -3.28 135.00 140.54 2wxm n PRO 322 Ca 0.08 0.93 -0.34 0.00 -2.02 0.00 0.00 63.50 62.15 2wxm n PRO 322 Cb 0.46 -2.68 0.08 0.00 -0.02 0.00 0.00 33.50 31.34 2wxm n PRO 322 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wxm s PHE 323 N -1.12 2.22 0.09 6.00 5.36 -0.95 -4.75 117.98 124.83 2wxm s PHE 323 Ca 0.54 1.58 -0.26 0.00 -0.96 0.00 0.00 56.93 57.83 2wxm s PHE 323 Cb -0.47 -3.39 0.08 0.00 -0.34 0.00 0.00 43.02 38.89 2wxm s PHE 323 CO 0.64 -2.34 0.82 -1.54 -1.46 0.00 0.00 175.22 171.33 2wxm s SER 324 N -2.13 -0.36 -0.00 6.13 1.04 -1.26 0.15 113.70 117.26 2wxm s SER 324 Ca 0.73 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.93 2wxm s SER 324 Cb -0.27 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2wxm s SER 324 CO 0.43 -0.83 0.16 0.27 0.98 0.00 0.00 173.24 174.25 2wxm s ILE 325 N -3.38 0.08 -0.18 -1.02 -4.36 -0.26 -4.43 121.20 107.64 2wxm s ILE 325 Ca 0.06 -0.63 -0.18 0.00 -0.26 0.00 0.00 60.65 59.64 2wxm s ILE 325 Cb -0.02 -0.44 -0.04 0.00 1.25 0.00 0.00 42.46 43.22 2wxm s ILE 325 CO -0.06 -0.35 0.47 -0.70 0.24 0.00 0.00 174.94 174.54 2wxm s GLU 326 N -1.30 4.22 -0.41 0.37 2.12 0.09 -0.21 118.70 123.57 2wxm s GLU 326 Ca -0.14 0.36 -0.20 0.00 0.36 0.00 0.00 54.97 55.34 2wxm s GLU 326 Cb -0.07 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.81 2wxm s GLU 326 CO 0.02 -0.05 0.64 -1.17 -0.54 0.00 0.00 175.26 174.15 2wxm s LEU 327 N 1.33 4.43 0.00 2.70 2.96 -0.42 0.58 118.68 130.26 2wxm s LEU 327 Ca 0.23 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2wxm s LEU 327 Cb -0.15 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.80 2wxm s LEU 327 CO 0.09 -0.72 0.00 -0.38 -1.32 0.00 0.00 176.35 174.03 2wxm n ILE 328 N 5.76 0.00 -3.85 6.68 5.41 -0.77 0.19 119.36 132.79 2wxm n ILE 328 Ca -0.02 0.39 -0.09 0.00 1.00 0.00 0.00 62.75 64.04 2wxm n ILE 328 Cb 0.48 -1.26 0.01 0.00 -0.71 0.00 0.00 39.64 38.16 2wxm n ILE 328 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2wxm s GLU 329 N -0.78 2.09 0.00 0.38 -1.05 -1.21 0.35 118.70 118.48 2wxm s GLU 329 Ca 0.00 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 2wxm s GLU 329 Cb 0.00 0.61 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 2wxm s GLU 329 CO 0.00 -0.97 0.00 0.41 0.95 0.00 0.00 175.26 175.65 2wxm n GLY 330 N -0.51 4.17 2.89 -3.83 0.00 0.85 -1.73 105.19 107.02 2wxm n GLY 330 Ca -0.07 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 2wxm n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wxm s ARG 331 N -1.71 0.78 0.08 1.61 1.70 -0.99 -3.06 118.95 117.36 2wxm s ARG 331 Ca 0.00 -0.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 2wxm s ARG 331 Cb 0.00 0.01 -0.00 0.00 -0.57 0.00 0.00 34.95 34.39 2wxm s ARG 331 CO 0.00 -1.02 0.01 0.36 -1.08 0.00 0.00 175.30 173.57 2wxm n LYS 332 N 3.42 1.39 -3.84 3.89 -0.00 -1.26 -3.87 118.16 117.89 2wxm n LYS 332 Ca 0.14 -0.64 -0.22 0.00 -0.00 0.00 0.00 58.31 57.59 2wxm n LYS 332 Cb 0.58 0.24 -0.17 0.00 -0.00 0.00 0.00 35.03 35.68 2wxm n LYS 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wxm s VAL 333 N -1.53 0.35 -0.00 0.58 1.01 -1.26 -4.43 120.40 115.12 2wxm s VAL 333 Ca 0.02 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 2wxm s VAL 333 Cb 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 35.94 2wxm s VAL 333 CO 0.01 0.24 0.59 -3.20 0.00 0.00 0.00 175.10 172.74 2wxm n ASN 334 N 4.90 -0.58 -4.76 3.32 5.15 -1.26 -5.13 115.26 116.89 2wxm n ASN 334 Ca -0.11 -1.14 -0.22 0.00 -0.60 0.00 0.00 54.58 52.50 2wxm n ASN 334 Cb 0.50 0.90 -0.05 0.00 -0.53 0.00 0.00 39.78 40.59 2wxm n ASN 334 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wxm s ALA 335 N -1.47 3.57 0.00 5.20 0.00 -1.26 -5.00 121.76 122.80 2wxm s ALA 335 Ca 0.14 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2wxm s ALA 335 Cb -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2wxm s ALA 335 CO -0.00 0.06 0.00 -1.33 0.00 0.00 0.00 175.76 174.49 2wxm n MET 339 N -1.19 0.00 -4.34 0.00 2.00 -1.26 -4.95 117.12 107.39 2wxm n MET 339 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.42 2wxm n MET 339 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.70 2wxm n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wxm s LYS 340 N -3.09 1.20 0.05 0.03 3.01 -0.28 -1.84 119.74 118.81 2wxm s LYS 340 Ca 0.00 -1.18 -0.07 0.00 -1.01 0.00 0.00 55.97 53.71 2wxm s LYS 340 Cb 0.00 -1.49 -0.05 0.00 -1.01 0.00 0.00 37.83 35.28 2wxm s LYS 340 CO 0.00 0.35 0.32 -0.51 0.51 0.00 0.00 175.35 176.02 2wxm s LEU 341 N -1.87 4.35 0.01 3.17 1.43 0.13 -0.40 118.68 125.49 2wxm s LEU 341 Ca 0.08 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2wxm s LEU 341 Cb -0.10 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2wxm s LEU 341 CO 0.04 0.20 -0.03 -0.69 0.23 0.00 0.00 176.35 176.11 2wxm s VAL 342 N -1.38 0.20 -0.16 -1.59 1.01 -0.64 -1.76 120.40 116.07 2wxm s VAL 342 Ca 0.31 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 2wxm s VAL 342 Cb -0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2wxm s VAL 342 CO 0.18 -0.13 0.00 -0.69 0.00 0.00 0.00 175.10 174.46 2wxm s VAL 343 N -0.54 4.28 -0.15 2.92 1.01 -1.26 -2.21 120.40 124.45 2wxm s VAL 343 Ca -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2wxm s VAL 343 Cb -0.04 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2wxm s VAL 343 CO -0.00 0.49 -0.01 -1.58 0.00 0.00 0.00 175.10 174.00 2wxm s GLN 344 N 0.30 3.60 -0.04 2.72 0.74 -0.16 0.59 119.66 127.41 2wxm s GLN 344 Ca -0.01 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 54.98 2wxm s GLN 344 Cb -0.13 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 31.02 2wxm s GLN 344 CO 0.02 0.34 -0.15 0.00 -0.55 0.00 0.00 175.29 174.95 2wxm s ALA 345 N 0.11 1.36 0.02 1.58 0.00 -1.07 -0.17 121.76 123.59 2wxm s ALA 345 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.40 2wxm s ALA 345 Cb -0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2wxm s ALA 345 CO 0.02 0.23 -0.06 0.20 0.00 0.00 0.00 175.76 176.15 2wxm s GLY 346 N 0.14 0.33 -0.10 0.00 0.00 -0.78 -2.51 107.32 104.41 2wxm s GLY 346 Ca -0.05 -0.44 -0.21 0.00 0.00 0.00 0.00 44.72 44.02 2wxm s GLY 346 CO 0.02 -0.45 0.59 1.08 0.00 0.00 0.00 173.10 174.34 2wxm s LEU 347 N -0.78 4.28 0.19 0.66 1.43 -1.26 -0.94 118.68 122.26 2wxm s LEU 347 Ca -0.04 0.98 0.11 0.00 -1.03 0.00 0.00 54.13 54.15 2wxm s LEU 347 Cb -0.06 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2wxm s LEU 347 CO -0.00 -0.08 -0.23 -0.36 0.23 0.00 0.00 176.35 175.91 2wxm s PHE 348 N 0.82 2.23 -0.41 0.29 0.08 0.15 -1.98 117.98 119.16 2wxm s PHE 348 Ca 0.31 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.01 2wxm s PHE 348 Cb -0.16 -1.09 0.13 0.00 -0.57 0.00 0.00 43.02 41.32 2wxm s PHE 348 CO 0.14 0.49 0.22 -1.58 -0.10 0.00 0.00 175.22 174.39 2wxm s HIS 349 N -1.78 1.72 0.00 0.36 5.65 -0.71 -1.07 115.29 119.46 2wxm s HIS 349 Ca 0.21 -2.21 0.00 0.00 0.25 0.00 0.00 55.06 53.31 2wxm s HIS 349 Cb -0.07 -1.69 0.00 0.00 -1.18 0.00 0.00 32.58 29.63 2wxm s HIS 349 CO 0.10 -0.80 0.00 0.41 -0.65 0.00 0.00 174.74 173.80 2wxm n GLY 350 N 3.77 0.46 0.11 1.59 0.00 -1.26 -3.51 105.19 106.35 2wxm n GLY 350 Ca 0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 2wxm n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wxm h ASN 351 N 5.18 0.01 -3.51 1.61 2.35 -1.91 -3.46 115.58 115.85 2wxm h ASN 351 Ca 0.00 -0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 2wxm h ASN 351 Cb 0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2wxm h ASN 351 CO 0.00 0.74 0.46 -1.61 -1.65 0.00 0.00 177.43 175.37 2wxm s GLU 352 N -3.34 4.60 0.46 0.81 8.01 -1.23 -5.05 118.70 122.96 2wxm s GLU 352 Ca -0.01 1.65 -0.22 0.00 0.01 0.00 0.00 54.97 56.40 2wxm s GLU 352 Cb 0.12 -3.31 -0.07 0.00 -4.31 0.00 0.00 34.13 26.55 2wxm s GLU 352 CO 0.78 0.06 1.13 -1.64 0.01 0.00 0.00 175.26 175.60 2wxm s MET 353 N -0.07 3.77 0.00 1.61 -1.94 -1.26 -1.74 119.30 119.68 2wxm s MET 353 Ca 0.50 1.67 0.24 0.00 -1.71 0.00 0.00 55.69 56.39 2wxm s MET 353 Cb -0.28 -2.34 0.41 0.00 2.01 0.00 0.00 34.83 34.63 2wxm s MET 353 CO 0.33 -0.52 1.39 1.28 -0.01 0.00 0.00 175.02 177.49 2wxm n LEU 354 N -0.58 3.11 0.00 -0.03 4.77 -0.84 -4.85 117.00 118.59 2wxm n LEU 354 Ca 0.08 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2wxm n LEU 354 Cb 0.49 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2wxm n LEU 354 CO 0.46 0.62 0.00 0.00 -1.33 0.00 0.00 177.39 177.14 2wxm s LYS 356 N -1.96 2.68 -0.91 0.00 -2.85 -1.26 -4.76 119.74 110.68 2wxm s LYS 356 Ca 0.00 1.27 -0.18 0.00 -1.00 0.00 0.00 55.97 56.06 2wxm s LYS 356 Cb 0.00 -1.94 0.14 0.00 -2.06 0.00 0.00 37.83 33.97 2wxm s LYS 356 CO 0.00 -1.33 1.07 0.95 0.10 0.00 0.00 175.35 176.15 2wxm s THR 357 N -2.57 4.83 0.29 3.79 -4.23 -1.26 -4.79 115.64 111.70 2wxm s THR 357 Ca 0.64 -1.66 -0.29 0.00 -1.18 0.00 0.00 61.69 59.20 2wxm s THR 357 Cb -0.19 -4.74 -0.10 0.00 1.34 0.00 0.00 72.50 68.82 2wxm s THR 357 CO 0.47 -1.44 1.28 0.68 -0.54 0.00 0.00 174.62 175.06 2wxm s VAL 358 N 2.39 2.93 0.55 2.29 -7.23 -1.04 -4.73 120.40 115.56 2wxm s VAL 358 Ca 0.30 0.89 0.04 0.00 -1.81 0.00 0.00 61.98 61.41 2wxm s VAL 358 Cb -0.06 -3.57 0.03 0.00 0.56 0.00 0.00 36.38 33.34 2wxm s VAL 358 CO -0.09 0.19 0.31 -0.44 -0.31 0.00 0.00 175.10 174.76 2wxm s SER 359 N -0.34 4.50 0.51 4.85 0.01 -1.26 -2.59 113.70 119.38 2wxm s SER 359 Ca 0.50 -1.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.30 2wxm s SER 359 Cb -0.38 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 2wxm s SER 359 CO 0.48 -1.08 0.86 -0.44 0.41 0.00 0.00 173.24 173.46 2wxm s SER 360 N -4.20 6.29 0.15 2.44 0.01 0.20 -4.98 113.70 113.61 2wxm s SER 360 Ca 0.25 1.11 -0.30 0.00 1.31 0.00 0.00 55.95 58.32 2wxm s SER 360 Cb -0.02 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 2wxm s SER 360 CO 0.16 -0.64 1.21 -0.94 0.41 0.00 0.00 173.24 173.43 2wxm s SER 361 N -4.00 7.07 0.34 2.44 1.04 -1.26 -4.78 113.70 114.55 2wxm s SER 361 Ca 0.50 2.18 -0.29 0.00 0.48 0.00 0.00 55.95 58.82 2wxm s SER 361 Cb -0.10 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.31 2wxm s SER 361 CO 0.46 -0.41 1.48 -1.61 0.98 0.00 0.00 173.24 174.13 2wxm s GLU 362 N 0.19 4.16 0.04 4.02 2.02 -1.26 -4.79 118.70 123.09 2wxm s GLU 362 Ca 0.55 2.49 0.05 0.00 0.02 0.00 0.00 54.97 58.09 2wxm s GLU 362 Cb -0.32 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 2wxm s GLU 362 CO 0.34 -0.49 -0.15 0.08 0.02 0.00 0.00 175.26 175.07 2wxm s VAL 363 N -0.79 1.16 0.51 2.63 1.01 -0.72 -4.95 120.40 119.24 2wxm s VAL 363 Ca 0.55 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2wxm s VAL 363 Cb -0.45 -1.05 -0.11 0.00 0.00 0.00 0.00 36.38 34.77 2wxm s VAL 363 CO 0.57 0.01 0.46 0.59 0.00 0.00 0.00 175.10 176.73 2wxm n ASN 364 N 1.87 -1.25 0.00 3.32 3.02 -1.26 0.20 115.26 121.15 2wxm n ASN 364 Ca -0.18 0.79 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 2wxm n ASN 364 Cb 0.55 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2wxm n ASN 364 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wxm n VAL 365 N -1.38 0.00 -2.16 2.41 0.31 -0.77 -4.56 118.33 112.18 2wxm n VAL 365 Ca 0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.10 2wxm n VAL 365 Cb 0.45 -0.51 0.01 0.00 -0.91 0.00 0.00 33.84 32.88 2wxm n VAL 365 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wxm n SER 367 N -1.59 -0.65 -2.44 0.00 7.64 -1.26 -4.05 113.62 111.27 2wxm n SER 367 Ca 0.11 0.08 -0.20 0.00 1.01 0.00 0.00 58.87 59.87 2wxm n SER 367 Cb 0.52 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2wxm n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wxm n GLU 368 N -0.85 -2.46 -0.57 1.43 4.07 -1.25 -4.26 120.64 116.75 2wxm n GLU 368 Ca 0.00 0.94 -0.30 0.00 -0.06 0.00 0.00 57.16 57.74 2wxm n GLU 368 Cb 0.04 -5.59 0.22 0.00 -0.06 0.00 0.00 31.44 26.04 2wxm n GLU 368 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wxm s PRO 369 N -5.17 -0.09 -0.07 5.31 0.04 -1.17 -4.53 135.00 129.31 2wxm s PRO 369 Ca 0.08 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 2wxm s PRO 369 Cb -0.04 -1.62 0.04 0.00 0.04 0.00 0.00 34.50 32.92 2wxm s PRO 369 CO 0.10 -3.28 0.13 0.08 0.04 0.00 0.00 177.00 174.06 2wxm s VAL 370 N -2.52 -0.18 -0.07 -0.36 1.01 -1.26 -0.10 120.40 116.92 2wxm s VAL 370 Ca 0.68 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 2wxm s VAL 370 Cb -0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2wxm s VAL 370 CO 0.62 0.14 -0.10 0.79 0.00 0.00 0.00 175.10 176.54 2wxm n TRP 371 N 5.03 0.00 -3.89 5.22 8.01 1.07 -4.93 117.44 127.95 2wxm n TRP 371 Ca -0.10 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.76 2wxm n TRP 371 Cb 0.50 -0.27 0.01 0.00 -2.01 0.00 0.00 31.31 29.54 2wxm n TRP 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2wxm n LYS 372 N -3.37 -0.91 -4.04 -0.99 5.02 0.50 -4.92 118.16 109.45 2wxm n LYS 372 Ca -0.15 0.39 -0.17 0.00 -2.02 0.00 0.00 58.31 56.36 2wxm n LYS 372 Cb 0.58 -2.15 -0.16 0.00 -0.02 0.00 0.00 35.03 33.29 2wxm n LYS 372 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wxm s GLN 373 N -5.96 0.47 -0.02 1.97 -1.52 -0.08 -4.92 119.66 109.60 2wxm s GLN 373 Ca 0.21 -0.02 -0.30 0.00 -1.95 0.00 0.00 55.36 53.30 2wxm s GLN 373 Cb -0.12 -0.56 -0.07 0.00 -0.22 0.00 0.00 33.01 32.05 2wxm s GLN 373 CO 0.88 -0.07 1.74 1.03 -0.25 0.00 0.00 175.29 178.62 2wxm s ARG 374 N 0.77 4.17 -0.27 2.91 1.81 -1.26 -1.30 118.95 125.78 2wxm s ARG 374 Ca -0.09 2.32 -0.11 0.00 -1.72 0.00 0.00 55.73 56.14 2wxm s ARG 374 Cb -0.12 -4.02 -0.05 0.00 -0.45 0.00 0.00 34.95 30.32 2wxm s ARG 374 CO -0.01 -0.87 0.17 -0.51 -0.68 0.00 0.00 175.30 173.40 2wxm s LEU 375 N 4.09 3.96 -0.18 2.53 1.43 0.70 -4.97 118.68 126.25 2wxm s LEU 375 Ca 0.78 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2wxm s LEU 375 Cb -0.36 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2wxm s LEU 375 CO 0.33 -0.04 -0.07 -0.70 0.23 0.00 0.00 176.35 176.10 2wxm s GLU 376 N 1.68 3.42 0.14 1.70 2.12 -1.26 -1.10 118.70 125.41 2wxm s GLU 376 Ca 0.07 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 2wxm s GLU 376 Cb -0.16 -2.88 -0.06 0.00 0.26 0.00 0.00 34.13 31.29 2wxm s GLU 376 CO 0.10 -0.01 0.44 -0.06 -0.54 0.00 0.00 175.26 175.19 2wxm s PHE 377 N 0.97 3.51 -1.16 5.30 0.08 0.39 -4.98 117.98 122.09 2wxm s PHE 377 Ca -0.01 0.75 -0.08 0.00 0.12 0.00 0.00 56.93 57.72 2wxm s PHE 377 Cb -0.15 -2.15 -0.07 0.00 -0.57 0.00 0.00 43.02 40.09 2wxm s PHE 377 CO 0.00 0.42 2.95 -3.47 -0.10 0.00 0.00 175.22 175.02 2wxm n ASP 378 N 0.35 7.77 -3.59 1.36 2.03 -1.26 -3.97 116.55 119.24 2wxm n ASP 378 Ca -0.04 -2.73 -0.09 0.00 0.52 0.00 0.00 54.79 52.45 2wxm n ASP 378 Cb 0.52 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.41 2wxm n ASP 378 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wxm s ILE 379 N 0.87 0.00 0.20 5.18 2.07 -1.26 -4.77 121.20 123.49 2wxm s ILE 379 Ca 0.65 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.70 2wxm s ILE 379 Cb 0.22 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.73 2wxm s ILE 379 CO -0.07 0.00 0.70 -0.55 -1.91 0.00 0.00 174.94 173.11 2wxm s SER 380 N -1.05 7.06 0.56 4.50 0.15 -1.26 -2.25 113.70 121.41 2wxm s SER 380 Ca 0.00 1.39 0.34 0.00 0.70 0.00 0.00 55.95 58.38 2wxm s SER 380 Cb -0.01 -2.41 1.57 0.00 -1.71 0.00 0.00 66.02 63.47 2wxm s SER 380 CO -0.00 0.06 2.07 0.58 1.20 0.00 0.00 173.24 177.15 2wxm h VAL 381 N 2.83 0.20 0.00 4.45 2.07 -1.61 0.35 116.25 124.54 2wxm h VAL 381 Ca -0.48 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2wxm h VAL 381 Cb 1.20 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2wxm h VAL 381 CO 0.65 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.30 2wxm n ASP 383 N -1.49 2.39 -4.65 0.00 9.92 0.12 -4.60 116.55 118.25 2wxm n ASP 383 Ca 0.07 -1.74 -0.43 0.00 -0.53 0.00 0.00 54.79 52.17 2wxm n ASP 383 Cb 0.33 0.10 -0.02 0.00 -0.64 0.00 0.00 41.12 40.88 2wxm n ASP 383 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2wxm s LEU 384 N -2.12 4.10 0.78 0.64 1.43 -1.19 -4.38 118.68 117.93 2wxm s LEU 384 Ca 0.28 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 2wxm s LEU 384 Cb 0.20 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.94 2wxm s LEU 384 CO 0.37 -0.99 1.10 -2.16 0.23 0.00 0.00 176.35 174.89 2wxm s PRO 385 N 4.09 2.21 0.38 1.29 0.04 -1.26 -4.87 135.00 136.87 2wxm s PRO 385 Ca 0.65 1.21 0.19 0.00 0.04 0.00 0.00 61.00 63.09 2wxm s PRO 385 Cb -0.25 -1.89 1.15 0.00 0.04 0.00 0.00 34.50 33.55 2wxm s PRO 385 CO 0.24 -1.69 1.70 -0.09 0.04 0.00 0.00 177.00 177.20 2wxm h ARG 386 N -1.11 0.31 -0.75 4.56 9.65 -1.96 0.16 114.38 125.25 2wxm h ARG 386 Ca -0.44 -0.02 -0.27 0.00 -1.10 0.00 0.00 59.98 58.16 2wxm h ARG 386 Cb 1.23 -0.07 -0.16 0.00 -1.39 0.00 0.00 29.97 29.58 2wxm h ARG 386 CO 0.51 0.21 0.32 -1.33 2.80 0.00 0.00 179.97 182.48 2wxm n MET 387 N -4.80 3.30 -1.68 0.20 2.81 -1.26 -4.68 117.12 111.00 2wxm n MET 387 Ca 0.30 -3.08 -0.44 0.00 -1.81 0.00 0.00 57.70 52.68 2wxm n MET 387 Cb 1.02 -2.17 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 2wxm n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxm n ALA 388 N -0.43 1.29 -3.97 3.04 0.00 0.56 -4.83 120.51 116.17 2wxm n ALA 388 Ca 0.44 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.97 2wxm n ALA 388 Cb 1.41 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.42 2wxm n ALA 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wxm s ARG 389 N -0.82 1.92 -0.25 0.00 3.52 -0.23 -2.38 118.95 120.71 2wxm s ARG 389 Ca 0.64 -0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 55.34 2wxm s ARG 389 Cb -0.61 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 2wxm s ARG 389 CO 0.53 -0.40 0.51 -1.17 -0.81 0.00 0.00 175.30 173.96 2wxm s LEU 390 N 1.47 4.06 -0.14 -0.88 2.96 -0.23 0.33 118.68 126.25 2wxm s LEU 390 Ca 0.00 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2wxm s LEU 390 Cb -0.15 -2.66 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 2wxm s LEU 390 CO -0.08 -0.27 -0.17 0.00 -1.32 0.00 0.00 176.35 174.51 2wxm s PHE 392 N 0.60 2.95 -0.01 0.00 0.08 0.72 -1.86 117.98 120.46 2wxm s PHE 392 Ca -0.10 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 56.91 2wxm s PHE 392 Cb -0.16 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2wxm s PHE 392 CO 0.03 0.48 -0.05 0.00 -0.10 0.00 0.00 175.22 175.58 2wxm s ALA 393 N -1.36 0.47 -0.12 5.36 0.00 0.77 -1.89 121.76 124.99 2wxm s ALA 393 Ca 0.26 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2wxm s ALA 393 Cb -0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 2wxm s ALA 393 CO 0.18 0.08 -0.20 -1.17 0.00 0.00 0.00 175.76 174.65 2wxm s LEU 394 N 0.09 2.28 0.00 0.00 2.96 -0.25 -0.98 118.68 122.77 2wxm s LEU 394 Ca -0.01 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2wxm s LEU 394 Cb -0.05 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.17 2wxm s LEU 394 CO -0.00 0.13 0.50 0.00 -1.32 0.00 0.00 176.35 175.66 2wxm n TYR 395 N 3.72 -1.49 -4.27 5.38 0.18 -0.94 -1.99 117.16 117.75 2wxm n TYR 395 Ca -0.19 -2.26 -0.15 0.00 1.88 0.00 0.00 57.90 57.18 2wxm n TYR 395 Cb 0.52 0.56 -0.10 0.00 -0.38 0.00 0.00 39.34 39.95 2wxm n TYR 395 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wxm s ALA 396 N -2.70 1.56 -0.02 -3.48 0.00 -0.14 -1.62 121.76 115.36 2wxm s ALA 396 Ca 0.27 -1.57 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 2wxm s ALA 396 Cb -0.01 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.38 2wxm s ALA 396 CO 0.20 -0.14 0.90 0.54 0.00 0.00 0.00 175.76 177.26 2wxm s VAL 397 N -3.35 0.00 0.12 0.00 0.11 0.46 -2.10 120.40 115.65 2wxm s VAL 397 Ca 0.20 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 2wxm s VAL 397 Cb 0.03 -1.00 -0.20 0.00 -1.53 0.00 0.00 36.38 33.68 2wxm s VAL 397 CO 0.03 0.00 1.28 0.58 -3.33 0.00 0.00 175.10 173.66 2wxm h VAL 398 N 2.06 1.48 -3.27 2.04 2.07 -1.97 -0.72 116.25 117.94 2wxm h VAL 398 Ca -0.21 -2.76 -0.52 0.00 0.82 0.00 0.00 66.70 64.02 2wxm h VAL 398 Cb 1.23 2.63 -0.36 0.00 -1.52 0.00 0.00 31.29 33.27 2wxm h VAL 398 CO 0.31 0.81 -0.81 -1.81 0.02 0.00 0.00 177.57 176.09 2wxm s ASP 415 N -7.03 2.04 -0.35 0.57 -0.00 -1.26 -4.90 116.67 105.75 2wxm s ASP 415 Ca -0.04 -0.31 0.02 0.00 -0.00 0.00 0.00 52.55 52.23 2wxm s ASP 415 Cb 0.09 -0.85 0.10 0.00 -0.00 0.00 0.00 42.92 42.27 2wxm s ASP 415 CO 0.86 -0.06 0.09 0.00 -0.00 0.00 0.00 175.17 176.06 2wxm s PRO 417 N 1.07 2.58 0.02 0.00 0.02 -1.26 -0.97 135.00 136.46 2wxm s PRO 417 Ca 0.11 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2wxm s PRO 417 Cb -0.19 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2wxm s PRO 417 CO -0.14 -1.53 0.00 -0.89 -0.33 0.00 0.00 177.00 174.12 2wxm n ILE 418 N -2.02 0.04 -3.48 2.83 5.41 -0.84 -4.81 119.36 116.49 2wxm n ILE 418 Ca 0.14 0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.79 2wxm n ILE 418 Cb 0.49 -0.90 -0.03 0.00 -0.71 0.00 0.00 39.64 38.49 2wxm n ILE 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wxm s ALA 419 N -2.00 -1.42 0.12 -1.39 0.00 -0.86 -0.52 121.76 115.69 2wxm s ALA 419 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2wxm s ALA 419 Cb 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2wxm s ALA 419 CO 0.00 -0.73 0.04 1.67 0.00 0.00 0.00 175.76 176.74 2wxm s TRP 420 N -3.71 0.81 -0.26 0.00 1.48 -0.24 -1.09 118.94 115.92 2wxm s TRP 420 Ca 0.01 -1.20 -0.25 0.00 -1.06 0.00 0.00 56.10 53.60 2wxm s TRP 420 Cb -0.00 -0.47 0.09 0.00 -1.16 0.00 0.00 33.47 31.93 2wxm s TRP 420 CO -0.12 -0.49 0.87 0.00 -4.06 0.00 0.00 176.95 173.15 2wxm s ALA 421 N -4.01 -1.87 0.11 2.67 0.00 -0.79 -1.39 121.76 116.48 2wxm s ALA 421 Ca 0.21 1.92 0.07 0.00 0.00 0.00 0.00 51.96 54.16 2wxm s ALA 421 Cb 0.08 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 2wxm s ALA 421 CO -0.00 -0.29 -0.16 -0.80 0.00 0.00 0.00 175.76 174.50 2wxm s ASN 422 N 0.20 2.13 -0.07 0.00 0.01 -1.26 -0.20 114.94 115.76 2wxm s ASN 422 Ca 0.01 -0.74 -0.13 0.00 -0.71 0.00 0.00 52.86 51.29 2wxm s ASN 422 Cb -0.05 -0.09 0.03 0.00 0.41 0.00 0.00 41.25 41.55 2wxm s ASN 422 CO -0.02 -0.07 0.32 -1.48 -1.51 0.00 0.00 177.10 174.35 2wxm s LEU 423 N -2.17 0.78 0.29 0.60 0.05 -0.59 -4.18 118.68 113.45 2wxm s LEU 423 Ca 0.06 0.36 -0.29 0.00 0.05 0.00 0.00 54.13 54.31 2wxm s LEU 423 Cb -0.07 1.22 -0.10 0.00 -2.05 0.00 0.00 46.19 45.19 2wxm s LEU 423 CO 0.04 -0.30 1.26 -0.04 -0.55 0.00 0.00 176.35 176.76 2wxm s MET 424 N -0.64 4.43 0.42 1.48 -1.94 -1.26 -1.06 119.30 120.73 2wxm s MET 424 Ca -0.07 2.09 0.23 0.00 -1.71 0.00 0.00 55.69 56.23 2wxm s MET 424 Cb -0.04 -3.13 0.58 0.00 2.01 0.00 0.00 34.83 34.25 2wxm s MET 424 CO 0.03 -0.12 1.68 -0.07 -0.01 0.00 0.00 175.02 176.53 2wxm h LEU 425 N 4.00 0.00 -8.95 -0.03 3.38 -1.83 -3.43 115.31 108.45 2wxm h LEU 425 Ca -0.47 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.81 2wxm h LEU 425 Cb 1.22 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.75 2wxm h LEU 425 CO 0.69 0.16 -0.74 -0.36 0.09 0.00 0.00 178.44 178.28 2wxm s PHE 426 N -3.32 2.81 0.63 1.13 0.08 -1.26 -0.95 117.98 117.09 2wxm s PHE 426 Ca 0.04 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 2wxm s PHE 426 Cb 0.07 -1.69 0.15 0.00 -0.57 0.00 0.00 43.02 40.99 2wxm s PHE 426 CO 0.66 0.20 0.64 -0.40 -0.10 0.00 0.00 175.22 176.21 2wxm n ASP 427 N 2.41 -1.13 0.00 1.36 5.68 -0.22 -4.87 116.55 119.79 2wxm n ASP 427 Ca -0.18 -0.98 0.10 0.00 -0.50 0.00 0.00 54.79 53.24 2wxm n ASP 427 Cb 0.52 -0.55 0.61 0.00 -1.14 0.00 0.00 41.12 40.56 2wxm n ASP 427 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wxm n TYR 428 N -3.57 0.00 -0.94 2.11 4.11 -1.26 -2.03 117.16 115.57 2wxm n TYR 428 Ca 0.09 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.07 2wxm n TYR 428 Cb 0.32 0.00 0.22 0.00 -0.00 0.00 0.00 39.34 39.88 2wxm n TYR 428 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wxm n LYS 429 N -0.92 2.55 -0.81 -3.48 4.76 -1.26 -4.96 118.16 114.05 2wxm n LYS 429 Ca 0.15 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.88 2wxm n LYS 429 Cb 0.07 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 2wxm n LYS 429 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wxm n ASP 430 N -0.66 -2.25 -4.79 4.39 8.00 -0.86 -4.87 116.55 115.51 2wxm n ASP 430 Ca 0.19 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.30 2wxm n ASP 430 Cb 0.80 -2.06 -0.06 0.00 -0.02 0.00 0.00 41.12 39.77 2wxm n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wxm s GLN 431 N -0.98 4.45 0.35 -1.24 0.74 -1.26 -0.12 119.66 121.60 2wxm s GLN 431 Ca 0.00 1.03 -0.26 0.00 0.05 0.00 0.00 55.36 56.18 2wxm s GLN 431 Cb 0.00 -3.21 -0.09 0.00 1.10 0.00 0.00 33.01 30.81 2wxm s GLN 431 CO 0.00 0.57 1.02 -1.17 -0.55 0.00 0.00 175.29 175.15 2wxm s LEU 432 N -1.24 4.29 0.10 3.68 2.96 -0.17 -1.06 118.68 127.24 2wxm s LEU 432 Ca 0.35 2.00 -0.24 0.00 -0.22 0.00 0.00 54.13 56.03 2wxm s LEU 432 Cb -0.21 -4.02 -0.07 0.00 0.50 0.00 0.00 46.19 42.38 2wxm s LEU 432 CO 0.24 -0.27 0.73 -0.54 -1.32 0.00 0.00 176.35 175.18 2wxm s LYS 433 N -2.14 4.47 0.21 1.98 1.02 -0.13 -4.81 119.74 120.33 2wxm s LYS 433 Ca 0.53 1.03 -0.21 0.00 0.02 0.00 0.00 55.97 57.34 2wxm s LYS 433 Cb -0.23 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2wxm s LYS 433 CO 0.29 0.49 0.62 0.95 -0.92 0.00 0.00 175.35 176.77 2wxm s THR 434 N -0.76 0.01 -0.03 2.17 -4.23 -1.26 -4.72 115.64 106.82 2wxm s THR 434 Ca 0.35 -0.51 -0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2wxm s THR 434 Cb -0.21 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 2wxm s THR 434 CO 0.23 -0.03 -0.05 0.61 -0.54 0.00 0.00 174.62 174.84 2wxm n GLY 435 N -0.40 -0.56 3.92 3.99 0.00 -1.25 -5.00 105.19 105.90 2wxm n GLY 435 Ca -0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2wxm n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wxm s GLU 436 N -1.33 3.46 0.01 1.61 2.12 -1.26 0.38 118.70 123.68 2wxm s GLU 436 Ca -0.05 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.85 2wxm s GLU 436 Cb 0.01 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 2wxm s GLU 436 CO 0.07 0.57 -0.02 1.03 -0.54 0.00 0.00 175.26 176.37 2wxm s ARG 437 N -2.69 0.19 -0.27 4.30 3.00 0.14 -4.92 118.95 118.71 2wxm s ARG 437 Ca 0.36 -0.21 -0.11 0.00 0.00 0.00 0.00 55.73 55.77 2wxm s ARG 437 Cb -0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 34.95 34.69 2wxm s ARG 437 CO 0.28 0.02 0.18 0.00 0.00 0.00 0.00 175.30 175.77 2wxm s LEU 439 N 1.60 4.69 -0.44 0.00 1.43 0.23 -4.90 118.68 121.29 2wxm s LEU 439 Ca 0.07 -1.11 -0.26 0.00 -1.03 0.00 0.00 54.13 51.80 2wxm s LEU 439 Cb -0.15 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2wxm s LEU 439 CO 0.09 -0.40 0.96 -0.31 0.23 0.00 0.00 176.35 176.93 2wxm s TYR 440 N 1.50 2.94 0.35 0.29 2.02 -1.26 -0.34 117.35 122.84 2wxm s TYR 440 Ca 0.01 0.53 -0.13 0.00 -0.37 0.00 0.00 57.07 57.11 2wxm s TYR 440 Cb -0.20 -3.97 -0.08 0.00 -0.40 0.00 0.00 41.96 37.31 2wxm s TYR 440 CO 0.05 -1.06 0.75 -1.64 -1.57 0.00 0.00 175.55 172.07 2wxm s MET 441 N 3.81 3.92 -0.12 -0.62 -1.94 -0.05 0.80 119.30 125.10 2wxm s MET 441 Ca 0.39 0.59 -0.14 0.00 -1.71 0.00 0.00 55.69 54.82 2wxm s MET 441 Cb -0.10 -2.42 -0.05 0.00 2.01 0.00 0.00 34.83 34.28 2wxm s MET 441 CO 0.25 0.09 0.34 -1.58 -0.01 0.00 0.00 175.02 174.11 2wxm s TRP 442 N -2.12 3.54 0.78 -0.03 0.52 -0.48 -4.55 118.94 116.59 2wxm s TRP 442 Ca 0.53 0.72 -0.13 0.00 0.02 0.00 0.00 56.10 57.24 2wxm s TRP 442 Cb -0.10 -2.34 0.07 0.00 -1.15 0.00 0.00 33.47 29.95 2wxm s TRP 442 CO 0.22 0.35 1.19 -1.25 0.02 0.00 0.00 176.95 177.48 2wxm s PRO 443 N 0.06 1.87 -0.22 4.98 0.04 -1.26 -1.08 135.00 139.39 2wxm s PRO 443 Ca 0.20 1.67 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 2wxm s PRO 443 Cb -0.14 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2wxm s PRO 443 CO 0.07 -2.02 0.06 -1.12 0.04 0.00 0.00 177.00 174.02 2wxm s SER 444 N -2.27 5.25 0.00 6.66 0.01 0.33 -4.75 113.70 118.92 2wxm s SER 444 Ca 0.72 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2wxm s SER 444 Cb -0.27 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2wxm s SER 444 CO 0.49 0.05 0.00 0.55 0.41 0.00 0.00 173.24 174.74 2wxm n VAL 445 N 4.37 0.00 -0.10 3.43 3.14 -1.26 -4.77 118.33 123.13 2wxm n VAL 445 Ca -0.16 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.08 2wxm n VAL 445 Cb 0.52 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.20 2wxm n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wxm n LEU 452 N 0.00 2.78 -4.83 6.55 7.99 -1.26 -5.20 117.00 123.03 2wxm n LEU 452 Ca 0.00 -0.10 -0.34 0.00 -0.01 0.00 0.00 56.01 55.55 2wxm n LEU 452 Cb 0.00 -0.64 -0.06 0.00 -0.11 0.00 0.00 43.42 42.61 2wxm n LEU 452 CO 0.00 0.82 0.40 -0.76 -1.51 0.00 0.00 177.39 176.34 2wxm s LEU 453 N -6.13 4.22 -0.52 2.23 1.02 -1.26 -4.83 118.68 113.40 2wxm s LEU 453 Ca -0.26 1.32 0.07 0.00 0.02 0.00 0.00 54.13 55.28 2wxm s LEU 453 Cb 0.07 -3.78 0.25 0.00 0.02 0.00 0.00 46.19 42.75 2wxm s LEU 453 CO 0.48 -0.07 0.64 -3.20 0.02 0.00 0.00 176.35 174.23 2wxm n ASN 454 N 0.23 2.09 -0.26 2.29 5.15 -1.26 -4.97 115.26 118.54 2wxm n ASN 454 Ca 0.00 -3.09 0.04 0.00 -0.60 0.00 0.00 54.58 50.93 2wxm n ASN 454 Cb 0.52 -0.66 0.28 0.00 -0.53 0.00 0.00 39.78 39.39 2wxm n ASN 454 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wxm h PRO 455 N 4.10 0.92 0.00 1.20 0.13 -1.97 0.94 132.00 137.32 2wxm h PRO 455 Ca 0.14 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2wxm h PRO 455 Cb 0.76 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2wxm h PRO 455 CO 0.66 0.61 0.00 0.00 -0.23 0.00 0.00 178.00 179.04 2wxm n ALA 456 N -2.41 1.80 -1.76 -0.56 0.00 -1.26 -4.82 120.51 111.50 2wxm n ALA 456 Ca 0.12 0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 2wxm n ALA 456 Cb 0.19 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.29 2wxm n ALA 456 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wxm s GLY 457 N -3.35 2.90 0.59 0.00 0.00 0.32 -4.88 107.32 102.91 2wxm s GLY 457 Ca 0.07 1.32 -0.18 0.00 0.00 0.00 0.00 44.72 45.93 2wxm s GLY 457 CO 0.40 1.90 0.33 -0.37 0.00 0.00 0.00 173.10 175.35 2wxm n THR 458 N -0.26 1.59 -0.84 0.90 5.66 -1.26 -4.84 114.28 115.23 2wxm n THR 458 Ca 0.06 -0.48 0.08 0.00 -3.05 0.00 0.00 64.05 60.65 2wxm n THR 458 Cb 0.43 -0.51 0.37 0.00 -1.55 0.00 0.00 70.33 69.08 2wxm n THR 458 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2wxm n VAL 459 N -1.79 2.45 -4.31 1.08 0.24 -1.26 -4.16 118.33 110.59 2wxm n VAL 459 Ca 0.10 -1.42 -0.29 0.00 -2.04 0.00 0.00 64.34 60.69 2wxm n VAL 459 Cb 0.48 -0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.58 2wxm n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wxm s ARG 460 N -2.52 1.79 0.79 7.34 3.52 -1.26 -4.47 118.95 124.14 2wxm s ARG 460 Ca 0.52 -1.20 -0.11 0.00 -0.13 0.00 0.00 55.73 54.80 2wxm s ARG 460 Cb 0.38 -2.11 0.06 0.00 -1.56 0.00 0.00 34.95 31.73 2wxm s ARG 460 CO 0.17 0.47 1.09 0.20 -0.81 0.00 0.00 175.30 176.42 2wxm s GLY 461 N -2.22 1.63 -0.05 8.12 0.00 -1.26 -4.87 107.32 108.68 2wxm s GLY 461 Ca 0.19 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 2wxm s GLY 461 CO 0.10 0.29 1.63 0.21 0.00 0.00 0.00 173.10 175.33 2wxm s ASN 462 N -3.82 6.68 0.45 1.64 3.84 0.24 -4.92 114.94 119.04 2wxm s ASN 462 Ca 0.61 2.23 0.24 0.00 0.21 0.00 0.00 52.86 56.14 2wxm s ASN 462 Cb -0.15 -2.54 1.02 0.00 -0.55 0.00 0.00 41.25 39.04 2wxm s ASN 462 CO 0.55 -0.91 1.88 1.55 -2.79 0.00 0.00 177.10 177.38 2wxm h PRO 463 N 9.33 0.00 -4.03 0.43 0.13 -1.90 -3.35 132.00 132.60 2wxm h PRO 463 Ca -0.39 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.09 2wxm h PRO 463 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2wxm h PRO 463 CO 0.95 0.23 2.81 -1.71 -0.23 0.00 0.00 178.00 180.05 2wxm n ASN 464 N -3.51 3.91 0.29 1.44 2.85 -1.26 -4.68 115.26 114.30 2wxm n ASN 464 Ca -0.01 -2.69 0.19 0.00 -0.11 0.00 0.00 54.58 51.96 2wxm n ASN 464 Cb 0.39 -1.37 0.84 0.00 1.24 0.00 0.00 39.78 40.88 2wxm n ASN 464 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2wxm h THR 465 N 4.03 0.00 0.21 -0.44 1.35 -1.94 -1.67 112.91 114.46 2wxm h THR 465 Ca 0.53 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 66.04 2wxm h THR 465 Cb 0.56 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 2wxm h THR 465 CO 1.86 0.00 -0.14 -0.08 -0.25 0.00 0.00 175.52 176.91 2wxm h GLU 466 N 0.00 -0.33 0.04 4.72 4.81 -1.94 -3.36 114.58 118.51 2wxm h GLU 466 Ca 0.00 0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.91 2wxm h GLU 466 Cb 0.35 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2wxm h GLU 466 CO 0.00 -0.22 -2.03 0.45 -0.73 0.00 0.00 179.01 176.48 2wxm n SER 467 N -5.26 1.32 -4.74 1.04 2.88 -1.00 -4.96 113.62 102.91 2wxm n SER 467 Ca -0.09 0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 57.23 2wxm n SER 467 Cb 0.18 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 2wxm n SER 467 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxm n ALA 468 N -2.84 2.61 -1.76 -1.46 0.00 -0.66 -4.97 120.51 111.43 2wxm n ALA 468 Ca -0.29 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 2wxm n ALA 468 Cb 1.06 -2.48 0.03 0.00 0.00 0.00 0.00 19.45 18.06 2wxm n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxm s ALA 469 N 0.36 3.06 -0.01 0.00 0.00 -1.26 -4.81 121.76 119.10 2wxm s ALA 469 Ca 0.68 1.39 0.01 0.00 0.00 0.00 0.00 51.96 54.04 2wxm s ALA 469 Cb -0.50 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2wxm s ALA 469 CO 0.43 -1.25 -0.04 0.00 0.00 0.00 0.00 175.76 174.91 2wxm s ALA 470 N -1.25 0.38 -0.20 0.00 0.00 -1.25 -0.87 121.76 118.57 2wxm s ALA 470 Ca 0.65 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2wxm s ALA 470 Cb -0.42 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.57 2wxm s ALA 470 CO 0.52 0.05 -0.17 -0.51 0.00 0.00 0.00 175.76 175.65 2wxm s LEU 471 N 0.18 2.40 -0.13 0.00 1.43 0.53 -2.36 118.68 120.73 2wxm s LEU 471 Ca -0.02 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 2wxm s LEU 471 Cb -0.05 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2wxm s LEU 471 CO -0.00 -0.03 0.31 0.68 0.23 0.00 0.00 176.35 177.53 2wxm s VAL 472 N 1.27 5.27 0.24 -1.59 -7.23 -0.71 0.76 120.40 118.42 2wxm s VAL 472 Ca 0.03 0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2wxm s VAL 472 Cb -0.14 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 2wxm s VAL 472 CO -0.11 0.44 0.12 0.27 -0.31 0.00 0.00 175.10 175.51 2wxm s ILE 473 N 0.07 0.29 -0.19 -0.62 -4.36 -0.05 -1.84 121.20 114.51 2wxm s ILE 473 Ca 0.18 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.54 2wxm s ILE 473 Cb -0.14 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 41.07 2wxm s ILE 473 CO 0.06 0.00 0.05 -0.47 0.24 0.00 0.00 174.94 174.82 2wxm s TYR 474 N -3.92 0.73 -0.42 1.37 5.04 0.20 0.28 117.35 120.63 2wxm s TYR 474 Ca 0.38 -0.66 -0.26 0.00 -2.44 0.00 0.00 57.07 54.09 2wxm s TYR 474 Cb 0.07 -0.91 0.02 0.00 0.35 0.00 0.00 41.96 41.50 2wxm s TYR 474 CO 0.13 -0.57 0.95 -0.51 -1.34 0.00 0.00 175.55 174.21 2wxm s LEU 475 N 1.96 3.95 0.21 6.97 1.02 1.21 -0.73 118.68 133.28 2wxm s LEU 475 Ca 0.00 0.39 -0.31 0.00 0.02 0.00 0.00 54.13 54.23 2wxm s LEU 475 Cb -0.17 -3.28 -0.10 0.00 0.02 0.00 0.00 46.19 42.66 2wxm s LEU 475 CO -0.08 -0.99 1.53 -2.84 0.02 0.00 0.00 176.35 173.99 2wxm s PRO 476 N 3.71 4.22 -0.47 1.29 0.02 -1.26 -3.76 135.00 138.75 2wxm s PRO 476 Ca 0.39 2.37 -0.27 0.00 0.02 0.00 0.00 61.00 63.51 2wxm s PRO 476 Cb -0.11 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 2wxm s PRO 476 CO 0.23 -0.55 1.95 -1.83 -0.33 0.00 0.00 177.00 176.47 2wxm s GLU 477 N 0.38 2.81 0.00 5.54 -1.05 -1.26 -4.83 118.70 120.29 2wxm s GLU 477 Ca 0.65 1.10 0.00 0.00 -0.15 0.00 0.00 54.97 56.58 2wxm s GLU 477 Cb -0.44 -4.35 0.00 0.00 -0.44 0.00 0.00 34.13 28.90 2wxm s GLU 477 CO 0.38 -2.48 0.42 1.33 0.95 0.00 0.00 175.26 175.85 2wxm n VAL 478 N 7.44 0.18 0.00 1.83 0.24 -1.26 -5.16 118.33 121.60 2wxm n VAL 478 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2wxm n VAL 478 Cb 0.50 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2wxm n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxm n ALA 479 N 0.31 0.00 -1.80 2.33 0.00 -1.26 -5.06 120.51 115.02 2wxm n ALA 479 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wxm n ALA 479 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 2wxm n ALA 479 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wxm s PRO 482 N 1.49 4.16 -0.06 0.00 0.02 -1.26 -5.31 135.00 134.04 2wxm s PRO 482 Ca 0.00 2.48 0.01 0.00 0.02 0.00 0.00 61.00 63.51 2wxm s PRO 482 Cb 0.00 -3.73 0.02 0.00 0.02 0.00 0.00 34.50 30.80 2wxm s PRO 482 CO 0.00 -0.83 -0.08 0.14 -0.33 0.00 0.00 177.00 175.90 2wxm s VAL 483 N 3.13 0.88 0.17 3.83 -7.23 -1.26 -5.07 120.40 114.86 2wxm s VAL 483 Ca 0.79 -0.31 0.09 0.00 -1.81 0.00 0.00 61.98 60.74 2wxm s VAL 483 Cb -0.42 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2wxm s VAL 483 CO 0.35 0.31 -0.10 -0.31 -0.31 0.00 0.00 175.10 175.04 2wxm s TYR 484 N 0.93 2.64 0.11 2.82 2.02 -1.26 -1.00 117.35 123.60 2wxm s TYR 484 Ca -0.10 -0.22 -0.31 0.00 -0.37 0.00 0.00 57.07 56.07 2wxm s TYR 484 Cb -0.15 -1.30 -0.09 0.00 -0.40 0.00 0.00 41.96 40.03 2wxm s TYR 484 CO 0.01 0.50 1.52 0.12 -1.57 0.00 0.00 175.55 176.13 2wxm s PHE 485 N -1.64 2.92 0.45 2.71 2.19 0.83 -4.62 117.98 120.82 2wxm s PHE 485 Ca 0.24 0.66 -0.25 0.00 0.33 0.00 0.00 56.93 57.91 2wxm s PHE 485 Cb -0.09 -3.84 -0.09 0.00 -1.31 0.00 0.00 43.02 37.69 2wxm s PHE 485 CO 0.15 -3.15 1.30 -2.30 1.83 0.00 0.00 175.22 173.05 2wxm n PRO 486 N 4.53 1.94 -0.77 10.12 -0.02 -1.26 -4.99 135.00 144.56 2wxm n PRO 486 Ca 0.14 0.69 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 2wxm n PRO 486 Cb 0.41 -2.45 0.15 0.00 -0.02 0.00 0.00 33.50 31.59 2wxm n PRO 486 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wxm n ALA 487 N -0.34 -1.13 -0.33 3.55 0.00 -1.26 -4.72 120.51 116.27 2wxm n ALA 487 Ca 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 2wxm n ALA 487 Cb 0.41 -2.11 0.09 0.00 0.00 0.00 0.00 19.45 17.84 2wxm n ALA 487 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxm h LEU 488 N -1.66 1.10 -0.66 0.00 5.85 -1.98 -1.28 115.31 116.67 2wxm h LEU 488 Ca -0.44 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.30 2wxm h LEU 488 Cb 1.28 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 2wxm h LEU 488 CO 0.40 0.87 0.26 1.05 -0.34 0.00 0.00 178.44 180.68 2wxm h GLU 489 N 1.24 0.42 -0.44 1.25 4.11 -1.97 1.65 114.58 120.84 2wxm h GLU 489 Ca 0.32 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.75 2wxm h GLU 489 Cb -0.00 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2wxm h GLU 489 CO -0.05 0.28 0.24 0.87 0.07 0.00 0.00 179.01 180.41 2wxm h LYS 490 N 0.43 0.47 -0.86 1.06 1.79 -1.67 0.27 116.57 118.06 2wxm h LYS 490 Ca 0.34 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.75 2wxm h LYS 490 Cb 0.45 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 2wxm h LYS 490 CO -0.33 0.31 0.41 0.82 -1.08 0.00 0.00 179.45 179.58 2wxm h ILE 491 N 0.48 1.26 -0.51 1.86 1.08 0.08 -2.53 117.51 119.23 2wxm h ILE 491 Ca 0.18 -0.74 -0.10 0.00 -0.39 0.00 0.00 64.86 63.82 2wxm h ILE 491 Cb 0.05 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 2wxm h ILE 491 CO -0.10 0.32 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.53 2wxm h LEU 492 N 1.22 0.91 0.00 1.44 3.38 0.31 -2.97 115.31 119.61 2wxm h LEU 492 Ca 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wxm h LEU 492 Cb 0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2wxm h LEU 492 CO -0.04 1.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.89 2wxm n GLU 493 N -4.16 0.00 -0.50 1.13 1.02 0.88 -4.98 120.64 114.03 2wxm n GLU 493 Ca 0.02 0.57 -0.29 0.00 -0.02 0.00 0.00 57.16 57.44 2wxm n GLU 493 Cb 0.37 -1.38 0.24 0.00 -0.02 0.00 0.00 31.44 30.65 2wxm n GLU 493 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wxm n LEU 494 N -1.97 -1.92 0.00 -4.62 7.94 -0.96 -5.11 117.00 110.35 2wxm n LEU 494 Ca 0.00 -0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.64 2wxm n LEU 494 Cb 0.00 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 42.83 2wxm n LEU 494 CO 0.00 -3.41 0.00 0.00 -1.11 0.00 0.00 177.39 172.87 2wxm n LEU 511 N -4.07 0.00 0.15 -1.96 -0.00 -1.26 -4.86 117.00 104.99 2wxm n LEU 511 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.97 2wxm n LEU 511 Cb 0.56 -0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 43.71 2wxm n LEU 511 CO 0.54 0.00 0.31 0.03 -0.00 0.00 0.00 177.39 178.27 2wxm h ARG 512 N 0.00 -0.39 -0.93 1.47 2.47 -2.00 -3.26 114.38 111.73 2wxm h ARG 512 Ca 0.00 0.03 0.11 0.00 -1.26 0.00 0.00 59.98 58.86 2wxm h ARG 512 Cb 0.00 0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.34 2wxm h ARG 512 CO 0.00 -0.26 0.60 0.93 0.56 0.00 0.00 179.97 181.80 2wxm h GLU 513 N -0.60 0.88 -0.47 0.04 5.08 -2.05 -1.10 114.58 116.37 2wxm h GLU 513 Ca -0.04 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2wxm h GLU 513 Cb 0.31 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2wxm h GLU 513 CO 0.07 0.59 0.26 0.97 -1.00 0.00 0.00 179.01 179.89 2wxm h ILE 514 N 0.91 1.02 0.00 3.13 6.09 -2.07 -1.39 117.51 125.20 2wxm h ILE 514 Ca 0.45 -0.18 -0.18 0.00 -1.37 0.00 0.00 64.86 63.58 2wxm h ILE 514 Cb 0.47 0.45 -0.02 0.00 0.47 0.00 0.00 36.82 38.18 2wxm h ILE 514 CO -0.21 0.10 -0.84 0.17 -3.07 0.00 0.00 178.15 174.30 2wxm h LEU 515 N 0.52 0.09 -6.71 2.19 8.10 -1.51 -3.41 115.31 114.58 2wxm h LEU 515 Ca 0.19 -0.07 -0.66 0.00 0.11 0.00 0.00 57.88 57.45 2wxm h LEU 515 Cb 0.05 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 40.22 2wxm h LEU 515 CO -0.11 0.89 2.56 1.21 -4.11 0.00 0.00 178.44 178.88 2wxm n GLU 516 N -3.60 2.53 -0.68 0.17 2.13 -0.45 -5.13 120.64 115.61 2wxm n GLU 516 Ca -0.02 -2.59 -0.02 0.00 0.66 0.00 0.00 57.16 55.20 2wxm n GLU 516 Cb 0.79 -3.30 -0.01 0.00 0.27 0.00 0.00 31.44 29.19 2wxm n GLU 516 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2wxm n ARG 517 N 7.02 0.02 0.00 5.31 0.00 -1.26 -4.89 116.66 122.86 2wxm n ARG 517 Ca 0.50 -0.23 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 2wxm n ARG 517 Cb 0.42 0.48 0.00 0.00 -0.00 0.00 0.00 32.46 33.35 2wxm n ARG 517 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wxm n GLU 522 N -0.02 0.00 -3.82 2.89 1.02 -1.26 -5.24 120.64 114.21 2wxm n GLU 522 Ca -0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 2wxm n GLU 522 Cb 0.37 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.68 2wxm n GLU 522 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2wxm s LEU 523 N 0.00 1.23 0.82 -4.62 2.34 -1.26 -5.16 118.68 112.03 2wxm s LEU 523 Ca 0.00 0.14 -0.11 0.00 0.06 0.00 0.00 54.13 54.22 2wxm s LEU 523 Cb 0.00 0.84 0.09 0.00 -0.56 0.00 0.00 46.19 46.55 2wxm s LEU 523 CO 0.00 -0.26 1.09 -0.31 -1.06 0.00 0.00 176.35 175.81 2wxm s TYR 524 N -0.72 2.47 0.14 3.48 2.02 -1.26 -4.71 117.35 118.77 2wxm s TYR 524 Ca -0.08 1.43 -0.25 0.00 -0.37 0.00 0.00 57.07 57.81 2wxm s TYR 524 Cb -0.05 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.41 2wxm s TYR 524 CO 0.02 -2.05 1.62 1.49 -1.57 0.00 0.00 175.55 175.06 2wxm h GLU 525 N -1.30 -0.33 -0.75 -0.62 4.57 -2.02 0.41 114.58 114.54 2wxm h GLU 525 Ca -0.46 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.73 2wxm h GLU 525 Cb 1.25 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.88 2wxm h GLU 525 CO 0.53 -0.22 0.39 1.12 -1.18 0.00 0.00 179.01 179.65 2wxm h HIS 526 N -0.35 1.02 -0.22 0.92 2.07 -1.98 0.09 115.15 116.70 2wxm h HIS 526 Ca 0.11 -0.03 0.04 0.00 -2.85 0.00 0.00 60.37 57.64 2wxm h HIS 526 Cb 0.51 -0.33 -0.04 0.00 2.57 0.00 0.00 27.41 30.13 2wxm h HIS 526 CO -0.39 0.72 -0.00 0.93 -3.07 0.00 0.00 177.93 176.12 2wxm h GLU 527 N 1.04 0.07 -0.72 5.12 5.08 -1.36 0.24 114.58 124.05 2wxm h GLU 527 Ca 0.26 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.71 2wxm h GLU 527 Cb 0.05 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 2wxm h GLU 527 CO -0.04 0.04 0.37 0.87 -1.00 0.00 0.00 179.01 179.25 2wxm h LYS 528 N 0.07 0.62 -0.59 2.33 1.57 -0.03 -1.31 116.57 119.22 2wxm h LYS 528 Ca 0.11 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2wxm h LYS 528 Cb 0.13 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2wxm h LYS 528 CO -0.18 0.41 0.34 -0.44 -0.57 0.00 0.00 179.45 179.01 2wxm h ASP 529 N 0.64 0.53 -0.35 0.86 3.32 0.44 -0.92 116.42 120.93 2wxm h ASP 529 Ca 0.35 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.43 2wxm h ASP 529 Cb 0.34 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2wxm h ASP 529 CO -0.25 0.36 0.19 0.25 -1.72 0.00 0.00 179.24 178.07 2wxm h LEU 530 N 0.65 0.30 0.50 1.55 7.12 0.47 -1.63 115.31 124.28 2wxm h LEU 530 Ca 0.25 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.26 2wxm h LEU 530 Cb 0.09 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 2wxm h LEU 530 CO -0.14 0.22 -0.44 0.58 -0.13 0.00 0.00 178.44 178.53 2wxm h VAL 531 N 0.40 0.12 -0.77 1.05 2.07 -0.73 -1.97 116.25 116.41 2wxm h VAL 531 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 2wxm h VAL 531 Cb 0.03 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 29.86 2wxm h VAL 531 CO -0.08 0.00 0.46 -0.25 0.02 0.00 0.00 177.57 177.71 2wxm h TRP 532 N -0.93 0.84 -0.35 1.57 2.91 -1.05 0.16 115.95 119.10 2wxm h TRP 532 Ca -0.05 0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.09 2wxm h TRP 532 Cb 0.81 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 2wxm h TRP 532 CO -0.21 0.41 0.26 -0.22 -1.03 0.00 0.00 178.44 177.66 2wxm h LYS 533 N 0.83 0.00 -0.46 2.65 1.63 -1.07 -2.70 116.57 117.45 2wxm h LYS 533 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2wxm h LYS 533 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2wxm h LYS 533 CO -0.18 0.00 0.00 -1.33 -3.45 0.00 0.00 179.45 174.49 2wxm n MET 534 N -4.31 3.87 -0.13 1.90 2.81 0.53 -4.77 117.12 117.03 2wxm n MET 534 Ca 0.05 -2.94 0.11 0.00 -1.81 0.00 0.00 57.70 53.11 2wxm n MET 534 Cb 0.44 -2.00 0.45 0.00 -0.71 0.00 0.00 33.22 31.41 2wxm n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2wxm h ARG 535 N 3.08 0.50 -0.13 0.03 0.11 -1.22 0.22 114.38 116.96 2wxm h ARG 535 Ca 0.00 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.96 2wxm h ARG 535 Cb 1.63 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.58 2wxm h ARG 535 CO 0.32 0.33 -0.33 0.45 0.10 0.00 0.00 179.97 180.84 2wxm h HIS 536 N 0.52 0.30 0.01 4.08 3.86 -1.87 0.13 115.15 122.18 2wxm h HIS 536 Ca 0.30 -0.07 -0.21 0.00 -1.16 0.00 0.00 60.37 59.23 2wxm h HIS 536 Cb 0.49 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2wxm h HIS 536 CO -0.00 0.57 -0.92 0.93 0.86 0.00 0.00 177.93 179.37 2wxm h GLU 537 N 0.23 0.25 0.31 2.45 4.39 -1.02 0.24 114.58 121.44 2wxm h GLU 537 Ca 0.03 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2wxm h GLU 537 Cb 0.71 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2wxm h GLU 537 CO 0.05 1.01 -0.16 0.28 -1.16 0.00 0.00 179.01 179.03 2wxm h VAL 538 N 0.13 0.66 -0.40 3.13 2.07 -0.87 0.19 116.25 121.16 2wxm h VAL 538 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2wxm h VAL 538 Cb 1.56 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2wxm h VAL 538 CO 0.15 0.00 0.13 -0.61 0.02 0.00 0.00 177.57 177.26 2wxm h GLN 539 N -0.44 0.28 0.03 1.57 4.15 -0.76 0.62 115.11 120.55 2wxm h GLN 539 Ca -0.04 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.15 2wxm h GLN 539 Cb 0.35 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2wxm h GLN 539 CO 0.05 0.18 -0.96 0.93 -1.93 0.00 0.00 178.83 177.11 2wxm h GLU 540 N 0.29 0.18 0.00 1.69 5.08 -0.37 -3.34 114.58 118.11 2wxm h GLU 540 Ca 0.19 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wxm h GLU 540 Cb 0.18 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2wxm h GLU 540 CO -0.20 1.01 -0.82 0.72 -1.00 0.00 0.00 179.01 178.72 2wxm n HIS 541 N -3.59 0.00 -2.64 4.33 8.25 0.65 -4.77 115.22 117.45 2wxm n HIS 541 Ca -0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 2wxm n HIS 541 Cb 0.87 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.98 2wxm n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wxm n PHE 542 N -1.42 1.60 -0.18 4.41 3.72 0.17 -4.93 117.46 120.84 2wxm n PHE 542 Ca -0.00 -2.64 0.29 0.00 -0.05 0.00 0.00 57.45 55.05 2wxm n PHE 542 Cb 0.03 -0.30 0.62 0.00 -0.94 0.00 0.00 39.48 38.89 2wxm n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxm h PRO 543 N 2.79 0.00 0.00 -1.08 0.13 -1.58 0.37 132.00 132.62 2wxm h PRO 543 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2wxm h PRO 543 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wxm h PRO 543 CO 0.49 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.65 2wxm n GLU 544 N -3.59 0.77 -0.52 0.86 1.02 -1.26 -2.49 120.64 115.43 2wxm n GLU 544 Ca 0.20 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.43 2wxm n GLU 544 Cb 1.24 -1.32 0.30 0.00 -0.02 0.00 0.00 31.44 31.65 2wxm n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxm n ALA 545 N -0.82 2.96 -0.25 0.62 0.00 0.13 -4.68 120.51 118.47 2wxm n ALA 545 Ca 0.12 -1.70 0.04 0.00 0.00 0.00 0.00 53.44 51.90 2wxm n ALA 545 Cb 0.05 -0.85 0.15 0.00 0.00 0.00 0.00 19.45 18.80 2wxm n ALA 545 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxm h LEU 546 N 3.21 -0.32 -0.86 0.00 5.85 -1.68 -0.53 115.31 120.98 2wxm h LEU 546 Ca 0.00 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2wxm h LEU 546 Cb 1.36 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 42.68 2wxm h LEU 546 CO 0.21 -0.16 0.42 0.00 -0.34 0.00 0.00 178.44 178.57 2wxm h ALA 547 N 1.68 1.11 -0.19 1.25 0.00 -1.88 -1.45 119.26 119.77 2wxm h ALA 547 Ca 0.40 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2wxm h ALA 547 Cb 0.69 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wxm h ALA 547 CO -0.64 0.66 -0.26 -0.09 0.00 0.00 0.00 179.25 178.93 2wxm h ARG 548 N 1.22 0.36 -0.04 0.00 2.43 -1.46 -1.32 114.38 115.57 2wxm h ARG 548 Ca 0.30 -0.13 -0.19 0.00 -0.81 0.00 0.00 59.98 59.15 2wxm h ARG 548 Cb 0.10 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2wxm h ARG 548 CO -0.04 0.59 -0.77 1.25 -1.51 0.00 0.00 179.97 179.49 2wxm h LEU 549 N 0.32 0.39 -1.01 3.80 5.85 -1.04 -2.96 115.31 120.66 2wxm h LEU 549 Ca 0.05 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 2wxm h LEU 549 Cb 0.63 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2wxm h LEU 549 CO 0.04 1.02 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.03 2wxm h LEU 550 N 0.21 0.62 -0.17 2.25 3.38 -0.55 -2.39 115.31 118.66 2wxm h LEU 550 Ca -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2wxm h LEU 550 Cb 1.36 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wxm h LEU 550 CO 0.13 0.73 0.00 0.18 0.09 0.00 0.00 178.44 179.57 2wxm n LEU 551 N -4.21 0.56 0.00 1.67 4.77 -0.57 -3.16 117.00 116.06 2wxm n LEU 551 Ca 0.01 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 2wxm n LEU 551 Cb 0.31 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 2wxm n LEU 551 CO 0.41 -0.25 -0.44 1.33 -1.33 0.00 0.00 177.39 177.11 2wxm n VAL 552 N -2.05 0.04 -2.11 4.08 0.24 -0.98 -5.00 118.33 112.55 2wxm n VAL 552 Ca 0.05 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.34 61.67 2wxm n VAL 552 Cb 0.34 0.30 0.02 0.00 -1.47 0.00 0.00 33.84 33.03 2wxm n VAL 552 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2wxm s THR 553 N -3.33 3.11 -1.11 3.34 -1.32 -0.94 -4.92 115.64 110.47 2wxm s THR 553 Ca -0.02 0.65 -0.15 0.00 -1.21 0.00 0.00 61.69 60.96 2wxm s THR 553 Cb 0.14 -3.23 0.17 0.00 -1.51 0.00 0.00 72.50 68.08 2wxm s THR 553 CO 0.88 -0.19 1.31 -0.54 -2.21 0.00 0.00 174.62 173.87 2wxm s LYS 554 N -3.48 3.94 0.19 7.08 -0.14 -1.26 -4.83 119.74 121.25 2wxm s LYS 554 Ca 0.72 -2.37 0.12 0.00 -1.36 0.00 0.00 55.97 53.08 2wxm s LYS 554 Cb -0.24 -4.98 0.65 0.00 -1.68 0.00 0.00 37.83 31.58 2wxm s LYS 554 CO 0.31 -1.73 1.34 0.91 -0.76 0.00 0.00 175.35 175.42 2wxm n TRP 555 N 5.72 0.41 -1.02 3.18 7.02 -1.26 -0.71 117.44 130.77 2wxm n TRP 555 Ca 0.32 0.21 -0.04 0.00 -1.02 0.00 0.00 57.50 56.98 2wxm n TRP 555 Cb 0.45 -0.80 0.33 0.00 -2.42 0.00 0.00 31.31 28.86 2wxm n TRP 555 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2wxm n ASN 556 N -1.92 5.04 -3.68 -0.99 6.94 -1.26 -4.28 115.26 115.12 2wxm n ASN 556 Ca -0.01 -3.17 -0.26 0.00 -0.02 0.00 0.00 54.58 51.12 2wxm n ASN 556 Cb 0.07 -0.74 -0.17 0.00 -2.36 0.00 0.00 39.78 36.58 2wxm n ASN 556 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wxm s LYS 557 N -2.96 0.33 0.36 -3.83 -0.14 0.11 -4.92 119.74 108.69 2wxm s LYS 557 Ca 0.55 -0.16 0.06 0.00 -1.36 0.00 0.00 55.97 55.06 2wxm s LYS 557 Cb 0.44 -1.76 0.73 0.00 -1.68 0.00 0.00 37.83 35.56 2wxm s LYS 557 CO 0.14 -0.60 1.96 1.12 -0.76 0.00 0.00 175.35 177.21 2wxm h HIS 558 N 8.34 0.77 -0.56 3.18 2.07 -1.81 -2.71 115.15 124.42 2wxm h HIS 558 Ca -0.16 0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.42 2wxm h HIS 558 Cb 1.13 -0.25 -0.04 0.00 2.57 0.00 0.00 27.41 30.82 2wxm h HIS 558 CO 0.26 0.41 0.33 0.93 -3.07 0.00 0.00 177.93 176.78 2wxm h GLU 559 N 0.76 0.62 -0.11 5.12 5.08 -1.93 -0.74 114.58 123.39 2wxm h GLU 559 Ca 0.31 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 2wxm h GLU 559 Cb 0.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2wxm h GLU 559 CO -0.10 0.41 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.37 2wxm h ASP 560 N 0.64 0.32 -0.20 1.42 5.19 -1.78 -1.49 116.42 120.52 2wxm h ASP 560 Ca 0.23 -0.16 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 2wxm h ASP 560 Cb 0.07 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 2wxm h ASP 560 CO -0.12 0.77 -0.41 0.58 -3.12 0.00 0.00 179.24 176.94 2wxm h VAL 561 N 0.23 1.29 -0.50 -1.35 2.07 -1.36 -1.05 116.25 115.58 2wxm h VAL 561 Ca 0.01 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 2wxm h VAL 561 Cb 0.97 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2wxm h VAL 561 CO 0.08 0.52 0.31 0.00 0.02 0.00 0.00 177.57 178.49 2wxm h ALA 562 N 0.93 0.64 -0.37 1.67 0.00 -0.85 -0.93 119.26 120.35 2wxm h ALA 562 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wxm h ALA 562 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wxm h ALA 562 CO 0.09 0.12 0.04 1.96 0.00 0.00 0.00 179.25 181.46 2wxm h GLN 563 N 0.67 0.63 0.29 0.00 4.20 -1.09 -1.64 115.11 118.17 2wxm h GLN 563 Ca 0.18 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2wxm h GLN 563 Cb -0.02 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2wxm h GLN 563 CO -0.03 0.71 -0.14 1.98 -0.67 0.00 0.00 178.83 180.68 2wxm h MET 564 N 0.46 -0.38 -0.46 1.46 4.05 -1.11 -2.56 114.93 116.39 2wxm h MET 564 Ca 0.11 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.62 2wxm h MET 564 Cb 0.41 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.24 2wxm h MET 564 CO 0.01 -0.25 0.15 -0.07 0.23 0.00 0.00 176.91 176.98 2wxm h LEU 565 N -0.39 0.14 -0.67 3.39 4.07 -1.10 0.16 115.31 120.90 2wxm h LEU 565 Ca -0.04 0.06 0.14 0.00 0.08 0.00 0.00 57.88 58.12 2wxm h LEU 565 Cb 0.31 0.05 -0.13 0.00 1.08 0.00 0.00 40.66 41.97 2wxm h LEU 565 CO 0.06 0.11 -0.13 0.22 -1.08 0.00 0.00 178.44 177.62 2wxm h TYR 566 N 0.32 -0.29 -0.61 1.13 3.20 -0.99 0.47 116.97 120.21 2wxm h TYR 566 Ca 0.22 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2wxm h TYR 566 Cb 0.24 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2wxm h TYR 566 CO -0.17 -0.27 0.37 -0.07 -1.64 0.00 0.00 178.16 176.38 2wxm h LEU 567 N 0.02 0.72 -1.61 2.82 3.38 -1.03 -3.00 115.31 116.63 2wxm h LEU 567 Ca 0.33 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 2wxm h LEU 567 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wxm h LEU 567 CO -0.67 0.56 -0.19 0.25 0.09 0.00 0.00 178.44 178.48 2wxm h LEU 568 N 0.82 0.01 -0.76 1.67 5.85 0.27 -2.60 115.31 120.57 2wxm h LEU 568 Ca 0.22 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2wxm h LEU 568 Cb -0.03 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2wxm h LEU 568 CO -0.04 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.26 2wxm n SER 570 N -2.34 2.09 -4.70 0.00 3.41 -1.00 -5.04 113.62 106.05 2wxm n SER 570 Ca 0.02 -2.10 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 2wxm n SER 570 Cb 0.25 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 2wxm n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wxm s TRP 571 N -1.17 3.19 0.56 7.33 -0.11 -0.96 -4.97 118.94 122.81 2wxm s TRP 571 Ca 0.04 1.10 -0.20 0.00 1.22 0.00 0.00 56.10 58.26 2wxm s TRP 571 Cb 0.03 -3.52 -0.06 0.00 -1.50 0.00 0.00 33.47 28.42 2wxm s TRP 571 CO 0.01 -1.76 1.07 -0.35 -4.62 0.00 0.00 176.95 171.30 2wxm n PRO 572 N 4.65 1.16 -1.51 5.86 -0.04 -1.26 -4.94 135.00 138.92 2wxm n PRO 572 Ca 0.11 0.44 -0.37 0.00 -0.04 0.00 0.00 63.50 63.64 2wxm n PRO 572 Cb 0.45 -2.25 0.07 0.00 -0.04 0.00 0.00 33.50 31.72 2wxm n PRO 572 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wxm n GLU 573 N -0.86 0.71 -4.12 0.54 1.02 -1.26 -5.03 120.64 111.64 2wxm n GLU 573 Ca 0.12 0.29 -0.22 0.00 -0.02 0.00 0.00 57.16 57.33 2wxm n GLU 573 Cb 0.45 -2.19 -0.05 0.00 -0.02 0.00 0.00 31.44 29.64 2wxm n GLU 573 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wxm s LEU 574 N -2.51 3.72 0.73 -4.62 1.43 -1.26 -5.08 118.68 111.09 2wxm s LEU 574 Ca 0.75 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 2wxm s LEU 574 Cb -0.38 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.62 2wxm s LEU 574 CO 0.48 -0.05 1.25 -2.84 0.23 0.00 0.00 176.35 175.41 2wxm s PRO 575 N -3.83 2.11 0.29 1.29 0.02 -1.26 -4.77 135.00 128.84 2wxm s PRO 575 Ca 0.33 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2wxm s PRO 575 Cb -0.08 -1.81 0.65 0.00 0.02 0.00 0.00 34.50 33.28 2wxm s PRO 575 CO 0.24 -1.90 1.79 0.28 -0.33 0.00 0.00 177.00 177.08 2wxm h VAL 576 N -0.17 0.76 -0.69 3.83 2.07 -1.99 -0.43 116.25 119.63 2wxm h VAL 576 Ca -0.49 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 66.83 2wxm h VAL 576 Cb 1.32 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2wxm h VAL 576 CO 0.50 0.14 0.37 0.25 0.02 0.00 0.00 177.57 178.85 2wxm h LEU 577 N 0.79 0.54 -0.50 2.57 5.85 -1.96 -1.05 115.31 121.55 2wxm h LEU 577 Ca 0.53 0.04 -0.16 0.00 0.84 0.00 0.00 57.88 59.13 2wxm h LEU 577 Cb 0.74 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2wxm h LEU 577 CO -0.35 0.34 -0.49 0.28 -0.34 0.00 0.00 178.44 177.88 2wxm h SER 578 N 0.67 0.73 -0.70 1.25 0.02 -1.45 -3.11 113.55 110.96 2wxm h SER 578 Ca 0.32 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2wxm h SER 578 Cb 0.24 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2wxm h SER 578 CO -0.21 1.10 0.41 0.00 -1.14 0.00 0.00 176.83 176.99 2wxm h ALA 579 N 0.92 0.95 -0.35 3.77 0.00 -0.87 -2.11 119.26 121.57 2wxm h ALA 579 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wxm h ALA 579 Cb 1.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2wxm h ALA 579 CO 0.10 0.12 0.23 -0.07 0.00 0.00 0.00 179.25 179.63 2wxm h LEU 580 N 0.76 0.38 -0.50 0.00 3.38 -1.14 -2.10 115.31 116.09 2wxm h LEU 580 Ca 0.31 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 2wxm h LEU 580 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2wxm h LEU 580 CO -0.17 0.27 -0.03 -0.08 0.09 0.00 0.00 178.44 178.53 2wxm h GLU 581 N 0.45 0.91 0.00 1.13 4.81 -1.35 -3.14 114.58 117.38 2wxm h GLU 581 Ca 0.13 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2wxm h GLU 581 Cb -0.02 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2wxm h GLU 581 CO -0.03 0.95 0.00 -0.07 -0.73 0.00 0.00 179.01 179.13 2wxm h LEU 582 N 0.77 0.00 -0.24 1.64 3.38 -1.05 -2.08 115.31 117.73 2wxm h LEU 582 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wxm h LEU 582 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wxm h LEU 582 CO 0.03 0.00 -0.08 0.18 0.09 0.00 0.00 178.44 178.66 2wxm n LEU 583 N -2.38 0.45 -4.73 1.67 4.77 -1.15 -4.65 117.00 110.99 2wxm n LEU 583 Ca 0.01 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.62 2wxm n LEU 583 Cb 0.17 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2wxm n LEU 583 CO 0.17 0.08 0.84 -0.62 -1.33 0.00 0.00 177.39 176.53 2wxm s ASP 584 N -2.39 4.53 0.59 -1.43 2.15 -0.78 -4.92 116.67 114.42 2wxm s ASP 584 Ca 0.32 2.43 0.40 0.00 0.43 0.00 0.00 52.55 56.13 2wxm s ASP 584 Cb 0.20 -2.60 2.08 0.00 -0.30 0.00 0.00 42.92 42.31 2wxm s ASP 584 CO 0.45 -2.04 2.21 0.15 -0.17 0.00 0.00 175.17 175.77 2wxm h PHE 585 N 0.19 0.00 0.00 -5.34 3.57 -1.89 -0.47 116.94 113.00 2wxm h PHE 585 Ca -0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2wxm h PHE 585 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2wxm h PHE 585 CO 0.45 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.96 2wxm n SER 586 N -2.95 0.00 -3.17 0.41 7.64 -1.26 -3.57 113.62 110.73 2wxm n SER 586 Ca -0.02 -0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.44 2wxm n SER 586 Cb 0.10 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 2wxm n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wxm n PHE 587 N -1.06 1.14 0.37 1.43 3.72 -0.18 -4.89 117.46 117.99 2wxm n PHE 587 Ca 0.06 -3.82 0.14 0.00 -0.05 0.00 0.00 57.45 53.78 2wxm n PHE 587 Cb 0.04 -0.43 0.52 0.00 -0.94 0.00 0.00 39.48 38.67 2wxm n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxm h PRO 588 N 3.38 0.00 -6.60 -1.08 0.13 -1.78 -3.42 132.00 122.63 2wxm h PRO 588 Ca 0.11 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.72 2wxm h PRO 588 Cb 0.83 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.00 2wxm h PRO 588 CO 0.59 0.00 0.98 0.34 -0.23 0.00 0.00 178.00 179.68 2wxm s ASP 589 N -4.98 6.48 0.25 1.44 2.15 -1.26 -4.87 116.67 115.88 2wxm s ASP 589 Ca 0.04 2.73 0.21 0.00 0.43 0.00 0.00 52.55 55.97 2wxm s ASP 589 Cb 0.09 -2.59 0.98 0.00 -0.30 0.00 0.00 42.92 41.10 2wxm s ASP 589 CO 0.50 -0.92 1.65 0.00 -0.17 0.00 0.00 175.17 176.23 2wxm h TYR 591 N 0.00 0.60 -0.33 0.00 0.05 -1.97 -1.55 116.97 113.78 2wxm h TYR 591 Ca 0.00 -0.44 0.07 0.00 0.05 0.00 0.00 58.73 58.41 2wxm h TYR 591 Cb 0.22 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.87 2wxm h TYR 591 CO 0.00 1.54 -0.10 0.28 -1.05 0.00 0.00 178.16 178.83 2wxm h VAL 592 N -0.16 0.62 -0.84 -2.88 2.07 -1.78 -0.92 116.25 112.36 2wxm h VAL 592 Ca -0.28 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2wxm h VAL 592 Cb 1.88 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2wxm h VAL 592 CO 0.14 0.00 0.45 1.23 0.02 0.00 0.00 177.57 179.40 2wxm h GLY 593 N -0.03 1.25 0.80 2.17 0.00 -1.19 -0.99 103.07 105.08 2wxm h GLY 593 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2wxm h GLY 593 CO -0.36 0.55 -0.35 0.23 0.00 0.00 0.00 176.54 176.61 2wxm h SER 594 N 1.17 -0.90 -0.93 0.19 0.87 -1.03 -1.76 113.55 111.17 2wxm h SER 594 Ca 0.29 0.06 0.17 0.00 -1.23 0.00 0.00 61.79 61.09 2wxm h SER 594 Cb 0.04 0.27 -0.10 0.00 -0.44 0.00 0.00 62.40 62.17 2wxm h SER 594 CO -0.05 -0.53 0.52 0.15 -0.53 0.00 0.00 176.83 176.39 2wxm h PHE 595 N -0.83 0.91 0.07 2.24 3.57 -0.79 -0.48 116.94 121.62 2wxm h PHE 595 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2wxm h PHE 595 Cb 0.69 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2wxm h PHE 595 CO -0.12 0.19 -0.03 0.00 -2.23 0.00 0.00 178.31 176.11 2wxm h ALA 596 N 1.62 -0.10 -0.96 2.41 0.00 -0.84 0.12 119.26 121.51 2wxm h ALA 596 Ca 0.53 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.38 2wxm h ALA 596 Cb 0.81 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 2wxm h ALA 596 CO -0.39 -0.48 0.63 0.82 0.00 0.00 0.00 179.25 179.83 2wxm h ILE 597 N -0.25 1.18 -0.50 0.00 1.08 -1.02 -0.67 117.51 117.33 2wxm h ILE 597 Ca -0.01 -0.42 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 2wxm h ILE 597 Cb 0.21 -0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 33.75 2wxm h ILE 597 CO 0.02 0.22 0.17 0.50 -0.69 0.00 0.00 178.15 178.37 2wxm h LYS 598 N 1.23 0.33 0.00 2.37 3.64 -0.36 0.20 116.57 123.98 2wxm h LYS 598 Ca 0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2wxm h LYS 598 Cb -0.03 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2wxm h LYS 598 CO -0.11 0.22 0.00 0.77 -2.27 0.00 0.00 179.45 178.05 2wxm h SER 599 N 0.34 0.00 0.87 4.20 0.02 0.46 -2.97 113.55 116.47 2wxm h SER 599 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2wxm h SER 599 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2wxm h SER 599 CO -0.26 0.00 -0.72 -0.07 -1.14 0.00 0.00 176.83 174.64 2wxm h LEU 600 N 0.00 0.00 -2.58 5.07 3.38 0.74 -3.35 115.31 118.57 2wxm h LEU 600 Ca 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2wxm h LEU 600 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wxm h LEU 600 CO 0.00 0.09 0.09 0.03 0.09 0.00 0.00 178.44 178.75 2wxm h ARG 601 N 0.00 0.00 0.00 1.13 3.08 -1.01 0.08 114.38 117.66 2wxm h ARG 601 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxm h ARG 601 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2wxm h ARG 601 CO 0.00 0.00 0.00 0.36 -1.07 0.00 0.00 179.97 179.26 2wxm n LYS 602 N -3.35 0.71 -1.71 0.04 2.85 -1.26 -4.82 118.16 110.63 2wxm n LYS 602 Ca -0.02 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.81 2wxm n LYS 602 Cb 0.17 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 2wxm n LYS 602 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wxm n LEU 603 N -1.13 3.75 -4.79 -5.58 4.77 0.01 -4.99 117.00 109.05 2wxm n LEU 603 Ca 0.19 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 57.02 2wxm n LEU 603 Cb 0.17 -1.51 0.09 0.00 -2.33 0.00 0.00 43.42 39.84 2wxm n LEU 603 CO 0.20 -0.20 0.70 0.42 -1.33 0.00 0.00 177.39 177.18 2wxm s THR 604 N -0.20 3.19 0.20 -5.08 -4.23 -1.26 -4.83 115.64 103.43 2wxm s THR 604 Ca 0.64 0.39 -0.09 0.00 -1.18 0.00 0.00 61.69 61.45 2wxm s THR 604 Cb -0.57 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.34 2wxm s THR 604 CO 0.51 -0.51 1.73 0.44 -0.54 0.00 0.00 174.62 176.26 2wxm h ASP 605 N -1.11 1.04 -0.66 3.99 3.32 -1.98 0.67 116.42 121.69 2wxm h ASP 605 Ca -0.47 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.39 2wxm h ASP 605 Cb 1.26 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2wxm h ASP 605 CO 0.57 0.97 0.43 0.44 -1.72 0.00 0.00 179.24 179.93 2wxm h ASP 606 N 1.06 0.75 -0.14 6.45 3.32 -1.98 0.47 116.42 126.34 2wxm h ASP 606 Ca 0.23 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2wxm h ASP 606 Cb 0.30 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2wxm h ASP 606 CO -0.01 0.54 0.06 -0.33 -1.72 0.00 0.00 179.24 177.78 2wxm h GLU 607 N 0.88 0.21 -0.44 3.56 5.08 -1.90 -1.28 114.58 120.70 2wxm h GLU 607 Ca 0.24 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2wxm h GLU 607 Cb -0.09 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 2wxm h GLU 607 CO -0.06 0.29 0.08 1.25 -1.00 0.00 0.00 179.01 179.57 2wxm h LEU 608 N 0.09 -0.02 -0.51 1.33 5.85 -0.43 -0.74 115.31 120.87 2wxm h LEU 608 Ca 0.05 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.93 2wxm h LEU 608 Cb 0.15 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 2wxm h LEU 608 CO -0.00 0.02 0.11 0.15 -0.34 0.00 0.00 178.44 178.38 2wxm h PHE 609 N 0.20 0.18 -0.53 1.25 3.57 0.02 0.47 116.94 122.11 2wxm h PHE 609 Ca 0.22 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.80 2wxm h PHE 609 Cb 0.28 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2wxm h PHE 609 CO -0.22 0.00 0.35 0.37 -2.23 0.00 0.00 178.31 176.58 2wxm h GLN 610 N 0.25 0.49 -0.43 1.11 5.75 -0.05 -2.74 115.11 119.49 2wxm h GLN 610 Ca 0.26 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2wxm h GLN 610 Cb 0.34 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.78 2wxm h GLN 610 CO -0.33 0.32 0.00 0.66 -2.65 0.00 0.00 178.83 176.84 2wxm n TYR 611 N -4.47 0.57 -0.05 3.99 4.01 -0.40 -4.73 117.16 116.08 2wxm n TYR 611 Ca 0.07 -0.45 -0.10 0.00 -0.16 0.00 0.00 57.90 57.27 2wxm n TYR 611 Cb 0.22 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 2wxm n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2wxm h LEU 612 N 2.80 0.20 -0.85 7.72 5.85 -0.61 -1.38 115.31 129.05 2wxm h LEU 612 Ca 0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 2wxm h LEU 612 Cb 0.80 -0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.63 2wxm h LEU 612 CO 0.00 0.15 -0.23 0.25 -0.34 0.00 0.00 178.44 178.27 2wxm h LEU 613 N 0.25 -0.84 -0.24 2.25 5.85 -1.85 -1.05 115.31 119.68 2wxm h LEU 613 Ca 0.08 0.26 -0.17 0.00 0.84 0.00 0.00 57.88 58.89 2wxm h LEU 613 Cb -0.01 0.54 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2wxm h LEU 613 CO -0.04 -0.28 -0.50 1.56 -0.34 0.00 0.00 178.44 178.84 2wxm h GLN 614 N -0.01 0.77 -0.76 1.25 7.50 -1.62 -2.77 115.11 119.48 2wxm h GLN 614 Ca 0.40 -0.50 0.06 0.00 0.50 0.00 0.00 58.65 59.11 2wxm h GLN 614 Cb 0.62 0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.16 2wxm h GLN 614 CO -0.87 1.13 0.50 -0.07 -1.50 0.00 0.00 178.83 178.01 2wxm h LEU 615 N 0.51 0.72 -0.32 1.46 3.38 -0.71 -1.35 115.31 119.00 2wxm h LEU 615 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2wxm h LEU 615 Cb 1.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2wxm h LEU 615 CO 0.11 0.47 -0.21 0.58 0.09 0.00 0.00 178.44 179.48 2wxm h VAL 616 N 0.82 1.29 -0.89 1.22 2.07 -1.07 -3.00 116.25 116.69 2wxm h VAL 616 Ca 0.32 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.58 2wxm h VAL 616 Cb 0.22 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 2wxm h VAL 616 CO -0.11 0.44 0.58 1.56 0.02 0.00 0.00 177.57 180.06 2wxm h GLN 617 N 0.48 0.93 -0.13 1.57 1.08 -1.03 0.17 115.11 118.17 2wxm h GLN 617 Ca 0.07 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 2wxm h GLN 617 Cb 0.76 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2wxm h GLN 617 CO 0.06 0.62 0.11 0.28 -0.95 0.00 0.00 178.83 178.95 2wxm h VAL 618 N 0.96 0.71 -0.27 -0.54 2.07 -1.14 -0.99 116.25 117.04 2wxm h VAL 618 Ca 0.40 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.99 2wxm h VAL 618 Cb 0.29 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2wxm h VAL 618 CO -0.16 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.55 2wxm h LEU 619 N 0.00 0.02 -2.33 2.57 3.38 -0.91 -0.78 115.31 117.26 2wxm h LEU 619 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wxm h LEU 619 Cb 0.29 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wxm h LEU 619 CO -0.00 0.01 -0.00 0.11 0.09 0.00 0.00 178.44 178.65 2wxm h LYS 620 N 0.02 0.00 0.00 1.13 1.57 -1.29 -2.14 116.57 115.86 2wxm h LYS 620 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wxm h LYS 620 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2wxm h LYS 620 CO -0.00 0.00 -0.07 1.88 -0.57 0.00 0.00 179.45 180.69 2wxm h TYR 621 N 0.00 0.00 -3.97 -1.35 0.05 -1.30 -3.44 116.97 106.96 2wxm h TYR 621 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 2wxm h TYR 621 Cb 0.01 0.00 0.10 0.00 1.01 0.00 0.00 36.73 37.85 2wxm h TYR 621 CO 0.00 0.00 0.64 -1.21 -1.05 0.00 0.00 178.16 176.54 2wxm s GLU 622 N -3.14 3.79 0.02 4.88 0.41 -0.81 -4.95 118.70 118.89 2wxm s GLU 622 Ca 0.09 2.25 0.20 0.00 -0.41 0.00 0.00 54.97 57.10 2wxm s GLU 622 Cb 0.10 -2.67 -0.19 0.00 -1.78 0.00 0.00 34.13 29.59 2wxm s GLU 622 CO 0.63 -0.67 0.63 0.43 -0.49 0.00 0.00 175.26 175.79 2wxm n SER 623 N -0.10 0.43 -4.14 -0.19 7.64 -1.26 -4.84 113.62 111.16 2wxm n SER 623 Ca 0.05 0.18 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 2wxm n SER 623 Cb 0.43 0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 64.51 2wxm n SER 623 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wxm s TYR 624 N -3.15 0.83 0.15 1.43 2.02 -1.26 -4.93 117.35 112.43 2wxm s TYR 624 Ca -0.05 -0.80 -0.10 0.00 -0.37 0.00 0.00 57.07 55.75 2wxm s TYR 624 Cb 0.10 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 41.16 2wxm s TYR 624 CO 0.84 -0.13 1.49 -0.07 -1.57 0.00 0.00 175.55 176.11 2wxm h LEU 625 N 3.41 1.00 -8.42 -1.29 3.38 -1.95 -3.39 115.31 108.05 2wxm h LEU 625 Ca -0.35 -0.44 -0.64 0.00 0.09 0.00 0.00 57.88 56.53 2wxm h LEU 625 Cb 1.18 -0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.50 2wxm h LEU 625 CO 0.58 1.24 0.39 -0.62 0.09 0.00 0.00 178.44 180.12 2wxm s ASP 626 N -6.82 6.28 0.08 -0.43 2.15 -1.26 -4.93 116.67 111.73 2wxm s ASP 626 Ca -0.11 -0.64 -0.08 0.00 0.43 0.00 0.00 52.55 52.16 2wxm s ASP 626 Cb 0.11 -2.38 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2wxm s ASP 626 CO 0.88 -1.15 0.16 0.00 -0.17 0.00 0.00 175.17 174.89 2wxm h GLU 628 N 2.87 0.89 -0.67 0.00 4.39 -1.96 -1.40 114.58 118.71 2wxm h GLU 628 Ca -0.34 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 2wxm h GLU 628 Cb 1.19 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 2wxm h GLU 628 CO 0.57 0.59 0.35 1.25 -1.16 0.00 0.00 179.01 180.61 2wxm h LEU 629 N 0.92 0.84 -0.08 1.33 5.85 -1.97 -0.65 115.31 121.55 2wxm h LEU 629 Ca 0.35 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2wxm h LEU 629 Cb 0.15 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2wxm h LEU 629 CO -0.16 0.69 -0.11 0.74 -0.34 0.00 0.00 178.44 179.25 2wxm h THR 630 N 0.94 1.38 -0.87 1.05 2.02 -1.65 0.92 112.91 116.70 2wxm h THR 630 Ca 0.24 -1.33 0.04 0.00 0.77 0.00 0.00 66.41 66.13 2wxm h THR 630 Cb 0.05 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 2wxm h THR 630 CO -0.04 0.37 0.57 0.50 0.37 0.00 0.00 175.52 177.30 2wxm h LYS 631 N -0.23 1.03 0.09 6.66 1.63 -1.10 -1.75 116.57 122.91 2wxm h LYS 631 Ca 0.01 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2wxm h LYS 631 Cb 0.65 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2wxm h LYS 631 CO 0.03 0.68 -0.05 0.35 -3.45 0.00 0.00 179.45 177.01 2wxm h PHE 632 N 1.06 -0.12 -0.63 1.91 3.57 -0.74 -1.81 116.94 120.18 2wxm h PHE 632 Ca 0.35 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.87 2wxm h PHE 632 Cb 0.07 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2wxm h PHE 632 CO -0.00 0.24 0.40 -0.07 -2.23 0.00 0.00 178.31 176.65 2wxm h LEU 633 N -0.49 0.66 -0.52 0.59 3.38 -0.66 -1.19 115.31 117.08 2wxm h LEU 633 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2wxm h LEU 633 Cb 0.41 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2wxm h LEU 633 CO 0.02 0.46 0.20 0.25 0.09 0.00 0.00 178.44 179.46 2wxm h LEU 634 N 0.79 0.72 -0.45 1.67 5.85 -1.34 -0.69 115.31 121.86 2wxm h LEU 634 Ca 0.25 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2wxm h LEU 634 Cb -0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2wxm h LEU 634 CO -0.09 0.70 -0.03 1.23 -0.34 0.00 0.00 178.44 179.92 2wxm h GLY 635 N 0.70 0.88 1.21 3.75 0.00 -1.06 -0.33 103.07 108.23 2wxm h GLY 635 Ca 0.17 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 2wxm h GLY 635 CO -0.01 0.62 -0.11 3.21 0.00 0.00 0.00 176.54 180.24 2wxm h ARG 636 N 0.66 0.92 -0.04 4.80 2.47 -1.16 -2.45 114.38 119.58 2wxm h ARG 636 Ca 0.13 -0.33 -0.10 0.00 -1.26 0.00 0.00 59.98 58.42 2wxm h ARG 636 Cb 0.54 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2wxm h ARG 636 CO 0.03 0.98 -0.44 0.00 0.56 0.00 0.00 179.97 181.10 2wxm h ALA 637 N 1.04 1.20 0.00 0.04 0.00 -0.90 -1.13 119.26 119.51 2wxm h ALA 637 Ca 0.13 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2wxm h ALA 637 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wxm h ALA 637 CO 0.04 0.57 -0.51 -0.07 0.00 0.00 0.00 179.25 179.29 2wxm h LEU 638 N 0.08 0.00 -0.11 0.00 3.38 -0.99 -3.13 115.31 114.53 2wxm h LEU 638 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wxm h LEU 638 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2wxm h LEU 638 CO 0.06 0.51 -0.27 0.00 0.09 0.00 0.00 178.44 178.83 2wxm n ALA 639 N -2.25 3.03 -3.54 1.53 0.00 -0.93 -4.79 120.51 113.57 2wxm n ALA 639 Ca 0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 2wxm n ALA 639 Cb 0.71 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.79 2wxm n ALA 639 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wxm s ASN 640 N -2.82 0.49 0.44 0.00 3.84 -0.47 -4.65 114.94 111.77 2wxm s ASN 640 Ca 0.17 0.35 0.24 0.00 0.21 0.00 0.00 52.86 53.83 2wxm s ASN 640 Cb 0.19 0.83 0.91 0.00 -0.55 0.00 0.00 41.25 42.62 2wxm s ASN 640 CO 0.59 -0.28 1.82 -0.09 -2.79 0.00 0.00 177.10 176.35 2wxm h ARG 641 N 8.25 0.00 -0.11 0.43 2.43 -1.41 -0.28 114.38 123.69 2wxm h ARG 641 Ca -0.16 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2wxm h ARG 641 Cb 1.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2wxm h ARG 641 CO 0.21 0.23 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.50 2wxm h LYS 642 N 0.00 0.31 -0.48 0.20 3.64 -1.85 0.04 116.57 118.43 2wxm h LYS 642 Ca -0.00 -0.19 0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2wxm h LYS 642 Cb 0.75 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 2wxm h LYS 642 CO 0.03 0.77 0.15 0.82 -2.27 0.00 0.00 179.45 178.94 2wxm h ILE 643 N -0.12 0.80 -0.85 2.00 1.08 -1.72 -1.42 117.51 117.28 2wxm h ILE 643 Ca 0.01 -0.10 0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2wxm h ILE 643 Cb 0.74 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 2wxm h ILE 643 CO 0.04 0.06 0.55 1.23 -0.69 0.00 0.00 178.15 179.34 2wxm h GLY 644 N 0.31 1.19 0.65 5.37 0.00 -0.92 0.14 103.07 109.82 2wxm h GLY 644 Ca 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2wxm h GLY 644 CO -0.26 0.23 -0.13 0.84 0.00 0.00 0.00 176.54 177.22 2wxm h HIS 645 N 0.88 -0.35 -0.22 5.60 -0.00 0.08 -2.55 115.15 118.59 2wxm h HIS 645 Ca 0.38 -0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.57 2wxm h HIS 645 Cb 0.32 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2wxm h HIS 645 CO -0.00 -0.01 -0.56 0.74 -0.00 0.00 0.00 177.93 178.10 2wxm h PHE 646 N -0.72 0.84 -0.41 5.26 0.04 -1.19 -2.47 116.94 118.27 2wxm h PHE 646 Ca -0.04 -0.30 0.09 0.00 2.80 0.00 0.00 57.97 60.52 2wxm h PHE 646 Cb 0.49 -0.16 -0.09 0.00 2.20 0.00 0.00 35.95 38.40 2wxm h PHE 646 CO 0.03 1.07 -0.18 1.25 -0.60 0.00 0.00 178.31 179.88 2wxm h LEU 647 N 0.51 -0.61 -0.20 1.54 5.85 -0.78 -0.21 115.31 121.40 2wxm h LEU 647 Ca 0.01 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2wxm h LEU 647 Cb 1.13 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 2wxm h LEU 647 CO 0.11 -0.21 -0.25 0.15 -0.34 0.00 0.00 178.44 177.90 2wxm h PHE 648 N -0.09 -0.67 -0.51 1.25 3.57 -1.21 -0.93 116.94 118.35 2wxm h PHE 648 Ca 0.20 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 2wxm h PHE 648 Cb 0.41 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2wxm h PHE 648 CO -0.43 -0.33 -0.09 -1.49 -2.23 0.00 0.00 178.31 173.74 2wxm h TRP 649 N -0.28 1.02 -0.67 0.41 4.06 -1.05 0.78 115.95 120.23 2wxm h TRP 649 Ca 0.12 -0.20 0.06 0.00 2.06 0.00 0.00 58.89 60.93 2wxm h TRP 649 Cb 0.47 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.31 2wxm h TRP 649 CO -0.38 0.96 0.38 0.45 -3.56 0.00 0.00 178.44 176.29 2wxm h HIS 650 N 0.83 0.70 0.00 0.49 3.86 -0.70 -0.27 115.15 120.06 2wxm h HIS 650 Ca 0.14 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2wxm h HIS 650 Cb 0.62 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2wxm h HIS 650 CO 0.04 0.34 -0.00 -0.07 0.86 0.00 0.00 177.93 179.10 2wxm h LEU 651 N 0.71 -0.00 -1.21 2.43 3.38 -0.45 -3.28 115.31 116.88 2wxm h LEU 651 Ca 0.30 -0.52 0.10 0.00 0.09 0.00 0.00 57.88 57.84 2wxm h LEU 651 Cb 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2wxm h LEU 651 CO -0.17 0.52 0.57 -0.09 0.09 0.00 0.00 178.44 179.36 2wxm h ARG 652 N -0.53 0.85 0.00 1.13 9.65 0.89 0.03 114.38 126.40 2wxm h ARG 652 Ca -0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2wxm h ARG 652 Cb 0.53 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2wxm h ARG 652 CO 0.00 0.56 0.00 -1.13 2.80 0.00 0.00 179.97 182.20 2wxm n SER 653 N -4.53 0.00 -0.59 -3.80 3.41 -0.14 -2.30 113.62 105.66 2wxm n SER 653 Ca 0.15 0.28 0.06 0.00 -0.26 0.00 0.00 58.87 59.11 2wxm n SER 653 Cb 0.31 -0.39 0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2wxm n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wxm n GLU 654 N -1.39 1.59 0.14 4.33 1.02 -0.01 -4.19 120.64 122.13 2wxm n GLU 654 Ca 0.06 -1.60 0.18 0.00 -0.02 0.00 0.00 57.16 55.78 2wxm n GLU 654 Cb 0.15 -1.27 0.78 0.00 -0.02 0.00 0.00 31.44 31.08 2wxm n GLU 654 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2wxm h MET 655 N 2.42 0.00 0.00 3.49 2.86 -1.49 -1.07 114.93 121.14 2wxm h MET 655 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wxm h MET 655 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2wxm h MET 655 CO 0.00 0.00 0.00 -2.39 1.06 0.00 0.00 176.91 175.58 2wxm n HIS 656 N -3.89 0.00 -3.42 -0.22 1.44 -1.26 -4.58 115.22 103.29 2wxm n HIS 656 Ca 0.04 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.32 2wxm n HIS 656 Cb 0.45 -0.06 -0.08 0.00 0.12 0.00 0.00 29.99 30.42 2wxm n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2wxm s VAL 657 N -2.12 5.09 0.44 0.61 1.01 -0.41 -4.95 120.40 120.07 2wxm s VAL 657 Ca 0.42 -1.13 0.24 0.00 0.00 0.00 0.00 61.98 61.52 2wxm s VAL 657 Cb 0.21 -4.06 0.44 0.00 0.00 0.00 0.00 36.38 32.97 2wxm s VAL 657 CO 0.38 -0.58 1.76 -0.65 0.00 0.00 0.00 175.10 176.00 2wxm h PRO 658 N 8.71 0.25 0.00 2.72 0.11 -1.87 -0.50 132.00 141.42 2wxm h PRO 658 Ca -0.28 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 2wxm h PRO 658 Cb 1.11 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2wxm h PRO 658 CO 0.87 0.17 -0.17 0.66 -0.21 0.00 0.00 178.00 179.31 2wxm h SER 659 N 0.26 0.00 -0.00 -2.05 4.64 -1.95 -3.26 113.55 111.20 2wxm h SER 659 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2wxm h SER 659 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 2wxm h SER 659 CO -0.25 0.17 -0.01 1.33 -0.87 0.00 0.00 176.83 177.21 2wxm n VAL 660 N -3.46 0.00 -0.03 0.95 0.24 -0.26 -4.83 118.33 110.93 2wxm n VAL 660 Ca -0.01 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.71 2wxm n VAL 660 Cb 0.35 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.70 2wxm n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxm h ALA 661 N 0.10 0.08 0.75 2.33 0.00 -1.42 -0.93 119.26 120.17 2wxm h ALA 661 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wxm h ALA 661 Cb 0.02 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wxm h ALA 661 CO 0.00 -0.52 -0.49 1.25 0.00 0.00 0.00 179.25 179.50 2wxm h LEU 662 N -0.06 -1.24 -0.35 0.00 5.85 -1.88 0.14 115.31 117.76 2wxm h LEU 662 Ca 0.10 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.97 2wxm h LEU 662 Cb 0.22 0.37 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 2wxm h LEU 662 CO -0.24 -0.73 -0.32 -0.09 -0.34 0.00 0.00 178.44 176.72 2wxm h ARG 663 N -1.17 -0.26 -0.29 1.25 2.43 -1.87 -0.86 114.38 113.62 2wxm h ARG 663 Ca -0.10 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 2wxm h ARG 663 Cb 0.94 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 2wxm h ARG 663 CO 0.08 -0.17 -0.35 0.74 -1.51 0.00 0.00 179.97 178.76 2wxm h PHE 664 N -0.27 0.76 -0.04 2.20 -1.00 -1.15 -2.17 116.94 115.26 2wxm h PHE 664 Ca 0.16 -0.20 0.03 0.00 2.81 0.00 0.00 57.97 60.76 2wxm h PHE 664 Cb 0.53 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 2wxm h PHE 664 CO -0.51 0.91 -0.13 0.78 -1.61 0.00 0.00 178.31 177.75 2wxm h GLY 665 N 1.00 -0.12 0.92 -1.45 0.00 -0.26 -0.11 103.07 103.04 2wxm h GLY 665 Ca 0.06 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.57 2wxm h GLY 665 CO 0.07 -0.13 0.52 1.41 0.00 0.00 0.00 176.54 178.41 2wxm h LEU 666 N -0.20 0.87 -0.05 3.11 3.38 -0.99 -1.65 115.31 119.79 2wxm h LEU 666 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wxm h LEU 666 Cb 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wxm h LEU 666 CO -0.16 0.61 0.02 0.40 0.09 0.00 0.00 178.44 179.41 2wxm h ILE 667 N 1.03 1.09 -0.25 1.22 2.04 -0.88 -2.07 117.51 119.68 2wxm h ILE 667 Ca 0.31 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2wxm h ILE 667 Cb -0.04 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2wxm h ILE 667 CO -0.09 0.08 0.07 0.24 0.00 0.00 0.00 178.15 178.44 2wxm h MET 668 N -0.03 0.17 -0.50 2.37 2.86 -0.72 -1.30 114.93 117.79 2wxm h MET 668 Ca 0.02 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 2wxm h MET 668 Cb 0.10 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.62 2wxm h MET 668 CO -0.00 0.11 -0.30 1.49 1.06 0.00 0.00 176.91 179.27 2wxm h GLU 669 N 0.18 -0.17 -0.35 1.72 4.81 -1.20 -0.34 114.58 119.23 2wxm h GLU 669 Ca 0.11 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2wxm h GLU 669 Cb 0.09 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2wxm h GLU 669 CO -0.13 -0.12 0.09 0.00 -0.73 0.00 0.00 179.01 178.13 2wxm h ALA 670 N 0.98 0.38 -0.54 2.92 0.00 -0.83 -0.50 119.26 121.67 2wxm h ALA 670 Ca 0.21 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.28 2wxm h ALA 670 Cb 0.53 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 2wxm h ALA 670 CO -0.60 -0.31 -0.16 -0.92 0.00 0.00 0.00 179.25 177.27 2wxm h TYR 671 N 0.23 -0.35 -0.55 0.00 3.20 -0.37 -1.40 116.97 117.72 2wxm h TYR 671 Ca 0.16 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 2wxm h TYR 671 Cb 0.16 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2wxm h TYR 671 CO -0.16 -0.25 0.22 0.00 -1.64 0.00 0.00 178.16 176.33 2wxm h ARG 673 N 0.78 0.00 0.00 0.00 2.47 -0.09 -2.45 114.38 115.09 2wxm h ARG 673 Ca 0.19 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.76 2wxm h ARG 673 Cb 0.15 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 2wxm h ARG 673 CO -0.02 0.00 -1.01 0.78 0.56 0.00 0.00 179.97 180.29 2wxm h GLY 674 N 0.00 0.00 -6.49 0.04 0.00 0.80 -3.42 103.07 94.00 2wxm h GLY 674 Ca 0.01 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.77 2wxm h GLY 674 CO -0.00 0.00 -0.88 -0.45 0.00 0.00 0.00 176.54 175.21 2wxm s SER 675 N -6.15 2.35 0.20 0.19 0.15 -0.50 -4.30 113.70 105.63 2wxm s SER 675 Ca 0.00 -2.44 -0.11 0.00 0.70 0.00 0.00 55.95 54.11 2wxm s SER 675 Cb 0.08 -0.34 0.23 0.00 -1.71 0.00 0.00 66.02 64.28 2wxm s SER 675 CO 0.79 -0.26 1.74 0.74 1.20 0.00 0.00 173.24 177.45 2wxm h THR 676 N 4.89 0.79 -0.28 6.45 2.02 -1.80 -1.27 112.91 123.71 2wxm h THR 676 Ca 0.13 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2wxm h THR 676 Cb 0.96 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2wxm h THR 676 CO 0.29 0.07 0.08 -0.74 0.37 0.00 0.00 175.52 175.59 2wxm h HIS 677 N 0.38 0.47 0.00 3.16 2.76 -1.89 -2.79 115.15 117.24 2wxm h HIS 677 Ca 0.28 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.30 2wxm h HIS 677 Cb 0.33 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 2wxm h HIS 677 CO -0.17 0.51 -0.46 1.25 -1.30 0.00 0.00 177.93 177.77 2wxm h HIS 678 N 0.29 0.00 -0.35 5.26 -0.00 -1.83 -2.49 115.15 116.05 2wxm h HIS 678 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.52 2wxm h HIS 678 Cb 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.63 2wxm h HIS 678 CO 0.01 0.46 0.02 1.98 -0.00 0.00 0.00 177.93 180.40 2wxm h MET 679 N 0.00 0.12 -0.97 5.26 -1.53 -0.98 0.36 114.93 117.19 2wxm h MET 679 Ca -0.00 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.28 2wxm h MET 679 Cb 0.81 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.78 2wxm h MET 679 CO 0.06 0.08 0.64 0.87 0.14 0.00 0.00 176.91 178.70 2wxm h LYS 680 N 0.13 1.21 -0.53 0.39 1.57 -1.23 0.19 116.57 118.29 2wxm h LYS 680 Ca 0.17 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2wxm h LYS 680 Cb 0.22 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2wxm h LYS 680 CO -0.26 0.80 -0.07 0.28 -0.57 0.00 0.00 179.45 179.63 2wxm h VAL 681 N 1.24 1.27 -0.44 0.50 2.07 -0.95 -1.90 116.25 118.04 2wxm h VAL 681 Ca 0.38 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 2wxm h VAL 681 Cb -0.03 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2wxm h VAL 681 CO -0.11 0.43 -0.10 -0.07 0.02 0.00 0.00 177.57 177.73 2wxm h LEU 682 N 0.86 0.77 -0.97 2.57 3.38 -0.61 -2.86 115.31 118.45 2wxm h LEU 682 Ca 0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2wxm h LEU 682 Cb 0.63 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2wxm h LEU 682 CO 0.04 0.90 0.36 0.24 0.09 0.00 0.00 178.44 180.07 2wxm h MET 683 N 0.71 1.10 -0.86 1.13 2.86 -0.53 -0.81 114.93 118.53 2wxm h MET 683 Ca 0.12 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wxm h MET 683 Cb 0.58 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2wxm h MET 683 CO 0.04 0.85 0.52 -0.22 1.06 0.00 0.00 176.91 179.16 2wxm h LYS 684 N 1.09 1.17 -0.52 1.72 1.63 -1.18 0.25 116.57 120.73 2wxm h LYS 684 Ca 0.26 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2wxm h LYS 684 Cb 0.12 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2wxm h LYS 684 CO -0.03 0.82 0.31 1.96 -3.45 0.00 0.00 179.45 179.05 2wxm h GLN 685 N 1.18 0.71 -0.74 1.90 4.20 -1.06 -2.13 115.11 119.17 2wxm h GLN 685 Ca 0.31 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 2wxm h GLN 685 Cb -0.05 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 2wxm h GLN 685 CO -0.06 0.52 0.34 0.78 -0.67 0.00 0.00 178.83 179.74 2wxm h GLY 686 N 0.69 1.15 1.00 3.46 0.00 -0.54 -0.58 103.07 108.26 2wxm h GLY 686 Ca 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2wxm h GLY 686 CO -0.03 0.55 0.40 0.83 0.00 0.00 0.00 176.54 178.28 2wxm h GLU 687 N 1.04 0.79 -0.83 4.80 5.08 -0.41 0.12 114.58 125.18 2wxm h GLU 687 Ca 0.25 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2wxm h GLU 687 Cb 0.14 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2wxm h GLU 687 CO -0.03 0.53 0.45 0.00 -1.00 0.00 0.00 179.01 178.96 2wxm h ALA 688 N 1.22 1.06 -0.04 3.43 0.00 -0.69 -2.33 119.26 121.90 2wxm h ALA 688 Ca 0.22 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2wxm h ALA 688 Cb -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2wxm h ALA 688 CO -0.05 0.58 -0.52 -0.07 0.00 0.00 0.00 179.25 179.19 2wxm h LEU 689 N 1.15 0.13 -0.51 0.00 3.38 -0.49 -0.83 115.31 118.14 2wxm h LEU 689 Ca 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2wxm h LEU 689 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wxm h LEU 689 CO -0.05 0.63 0.25 -1.28 0.09 0.00 0.00 178.44 178.08 2wxm h SER 690 N 0.09 0.67 -0.27 -0.43 0.87 -0.42 -2.56 113.55 111.49 2wxm h SER 690 Ca 0.00 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 2wxm h SER 690 Cb 0.95 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2wxm h SER 690 CO 0.07 0.60 -0.27 0.11 -0.53 0.00 0.00 176.83 176.82 2wxm h LYS 691 N 0.68 0.66 -0.76 2.24 1.79 -0.98 -2.87 116.57 117.34 2wxm h LYS 691 Ca 0.18 -0.35 0.10 0.00 -2.18 0.00 0.00 60.65 58.39 2wxm h LYS 691 Cb 0.11 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.70 2wxm h LYS 691 CO -0.02 0.96 0.40 -0.07 -1.08 0.00 0.00 179.45 179.63 2wxm h LEU 692 N 0.39 0.54 -0.64 2.94 3.38 -1.18 0.90 115.31 121.63 2wxm h LEU 692 Ca 0.04 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2wxm h LEU 692 Cb 0.83 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2wxm h LEU 692 CO 0.07 0.30 0.40 0.50 0.09 0.00 0.00 178.44 179.80 2wxm h LYS 693 N 0.67 0.76 -0.31 1.13 1.63 -1.37 0.73 116.57 119.80 2wxm h LYS 693 Ca 0.37 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.11 2wxm h LYS 693 Cb 0.38 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2wxm h LYS 693 CO -0.27 0.50 0.12 0.00 -3.45 0.00 0.00 179.45 176.36 2wxm h ALA 694 N 1.28 0.41 -0.61 5.00 0.00 -1.15 0.22 119.26 124.40 2wxm h ALA 694 Ca 0.26 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2wxm h ALA 694 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wxm h ALA 694 CO -0.10 0.01 0.01 1.25 0.00 0.00 0.00 179.25 180.42 2wxm h LEU 695 N 0.36 1.04 -0.26 0.00 5.85 -0.07 -2.01 115.31 120.21 2wxm h LEU 695 Ca 0.10 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2wxm h LEU 695 Cb 0.19 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2wxm h LEU 695 CO -0.01 1.08 0.09 -1.13 -0.34 0.00 0.00 178.44 178.13 2wxm h ASN 696 N 0.97 0.37 -0.99 1.25 -0.73 0.70 -1.90 115.58 115.26 2wxm h ASN 696 Ca 0.18 -0.19 0.07 0.00 1.87 0.00 0.00 56.30 58.23 2wxm h ASN 696 Cb 0.54 -0.10 -0.07 0.00 0.27 0.00 0.00 38.32 38.96 2wxm h ASN 696 CO 0.03 0.46 0.64 0.44 -0.37 0.00 0.00 177.43 178.63 2wxm h ASP 697 N 0.26 1.01 0.18 1.15 3.32 -0.69 -1.05 116.42 120.61 2wxm h ASP 697 Ca 0.09 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.16 2wxm h ASP 697 Cb 0.22 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2wxm h ASP 697 CO -0.00 0.63 -0.24 0.15 -1.72 0.00 0.00 179.24 178.06 2wxm h PHE 698 N 1.14 -0.63 -0.48 4.55 3.57 -1.18 -1.82 116.94 122.08 2wxm h PHE 698 Ca 0.44 0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.00 2wxm h PHE 698 Cb 0.21 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 2wxm h PHE 698 CO -0.00 -0.35 0.21 0.28 -2.23 0.00 0.00 178.31 176.22 2wxm h VAL 699 N -0.48 0.91 -0.86 1.41 2.07 -0.65 0.34 116.25 119.00 2wxm h VAL 699 Ca 0.01 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.47 2wxm h VAL 699 Cb 0.47 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 2wxm h VAL 699 CO -0.09 0.08 0.52 0.11 0.02 0.00 0.00 177.57 178.20 2wxm h LYS 700 N 0.42 0.87 0.36 1.57 1.57 -1.15 -0.83 116.57 119.39 2wxm h LYS 700 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2wxm h LYS 700 Cb 0.17 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2wxm h LYS 700 CO -0.18 0.58 -0.17 0.28 -0.57 0.00 0.00 179.45 179.38 2wxm h VAL 701 N 0.90 0.50 -0.73 0.50 2.07 -0.38 -3.30 116.25 115.80 2wxm h VAL 701 Ca 0.40 -0.65 0.14 0.00 0.82 0.00 0.00 66.70 67.41 2wxm h VAL 701 Cb 0.28 0.76 -0.10 0.00 -1.52 0.00 0.00 31.29 30.72 2wxm h VAL 701 CO -0.21 0.10 0.25 -1.28 0.02 0.00 0.00 177.57 176.44 2wxm h SER 702 N -0.92 0.18 0.52 0.57 0.87 -0.18 -0.77 113.55 113.82 2wxm h SER 702 Ca -0.05 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2wxm h SER 702 Cb 0.54 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2wxm h SER 702 CO 0.08 0.05 0.00 -1.54 -0.53 0.00 0.00 176.83 174.90 2wxm n SER 703 N -5.06 0.00 -0.06 6.23 3.41 -0.33 -1.06 113.62 116.75 2wxm n SER 703 Ca 0.14 0.22 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 2wxm n SER 703 Cb 0.42 -0.38 0.40 0.00 -0.26 0.00 0.00 64.21 64.38 2wxm n SER 703 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wxm n GLN 704 N -1.38 0.25 0.00 4.33 6.02 -0.29 -4.26 117.38 122.05 2wxm n GLN 704 Ca 0.08 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2wxm n GLN 704 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2wxm n GLN 704 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wxm n LYS 705 N -1.27 -0.58 -3.87 -1.09 4.01 -0.23 -5.09 118.16 110.05 2wxm n LYS 705 Ca 0.08 -0.52 -0.07 0.00 -0.51 0.00 0.00 58.31 57.29 2wxm n LYS 705 Cb 0.33 -0.99 -0.02 0.00 -0.51 0.00 0.00 35.03 33.84 2wxm n LYS 705 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2wxm s THR 706 N -0.10 0.00 0.56 -0.18 -1.32 -1.10 -5.13 115.64 108.38 2wxm s THR 706 Ca 0.01 -1.05 -0.15 0.00 -1.21 0.00 0.00 61.69 59.29 2wxm s THR 706 Cb 0.01 -2.08 -0.06 0.00 -1.51 0.00 0.00 72.50 68.86 2wxm s THR 706 CO 0.01 0.00 1.02 0.42 -2.21 0.00 0.00 174.62 173.86 2wxm s THR 707 N -3.83 4.33 0.19 5.08 -4.23 -1.26 -4.71 115.64 111.21 2wxm s THR 707 Ca 0.13 1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 61.55 2wxm s THR 707 Cb -0.05 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.29 2wxm s THR 707 CO 0.08 -0.72 1.70 0.50 -0.54 0.00 0.00 174.62 175.63 2wxm h LYS 708 N 0.49 0.20 -0.36 3.99 3.64 -1.97 -1.72 116.57 120.83 2wxm h LYS 708 Ca -0.46 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 2wxm h LYS 708 Cb 1.20 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 2wxm h LYS 708 CO 0.60 0.13 -0.11 -1.35 -2.27 0.00 0.00 179.45 176.45 2wxm h PRO 709 N 0.20 -0.03 -0.62 1.90 0.11 -2.00 -0.98 132.00 130.59 2wxm h PRO 709 Ca 0.27 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.45 2wxm h PRO 709 Cb 0.39 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.45 2wxm h PRO 709 CO -0.38 -0.02 0.32 1.96 -0.21 0.00 0.00 178.00 179.66 2wxm h GLN 710 N -0.03 0.56 -0.26 1.05 4.20 -1.84 -1.87 115.11 116.91 2wxm h GLN 710 Ca 0.18 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 2wxm h GLN 710 Cb 0.30 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2wxm h GLN 710 CO -0.39 0.37 -0.32 1.15 -0.67 0.00 0.00 178.83 178.98 2wxm h THR 711 N 0.58 1.28 0.06 -0.54 2.02 -0.56 -1.66 112.91 114.09 2wxm h THR 711 Ca 0.29 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 2wxm h THR 711 Cb 0.23 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2wxm h THR 711 CO -0.21 0.45 -0.03 0.50 0.37 0.00 0.00 175.52 176.61 2wxm h LYS 712 N 0.48 -0.07 -0.92 6.66 3.64 -0.96 0.18 116.57 125.57 2wxm h LYS 712 Ca 0.06 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 2wxm h LYS 712 Cb 0.78 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.55 2wxm h LYS 712 CO 0.06 0.25 0.59 1.49 -2.27 0.00 0.00 179.45 179.57 2wxm h GLU 713 N -0.40 0.81 -0.40 1.90 4.81 -1.18 -1.00 114.58 119.11 2wxm h GLU 713 Ca -0.01 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 2wxm h GLU 713 Cb 0.36 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2wxm h GLU 713 CO 0.01 0.53 -0.23 0.52 -0.73 0.00 0.00 179.01 179.12 2wxm h MET 714 N 0.83 0.87 -0.64 1.92 2.86 -0.79 -2.41 114.93 117.56 2wxm h MET 714 Ca 0.45 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2wxm h MET 714 Cb 0.56 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 2wxm h MET 714 CO -0.21 1.04 0.38 1.98 1.06 0.00 0.00 176.91 181.15 2wxm h MET 715 N 0.68 0.70 -0.65 1.72 1.85 -0.03 -0.61 114.93 118.58 2wxm h MET 715 Ca 0.09 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.13 2wxm h MET 715 Cb 0.80 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.64 2wxm h MET 715 CO 0.07 0.46 0.39 0.45 -0.40 0.00 0.00 176.91 177.88 2wxm h HIS 716 N 0.72 0.86 -0.09 1.39 -0.00 -1.08 0.41 115.15 117.36 2wxm h HIS 716 Ca 0.27 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 2wxm h HIS 716 Cb 0.09 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.22 2wxm h HIS 716 CO -0.06 0.58 0.01 0.52 -0.00 0.00 0.00 177.93 178.98 2wxm h MET 717 N 0.88 0.16 -0.54 2.45 2.86 -0.99 -0.67 114.93 119.07 2wxm h MET 717 Ca 0.23 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.94 2wxm h MET 717 Cb -0.03 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.51 2wxm h MET 717 CO -0.04 0.37 -0.11 0.00 1.06 0.00 0.00 176.91 178.19 2wxm h MET 719 N 0.02 0.00 0.00 0.00 2.86 -0.40 -2.33 114.93 115.08 2wxm h MET 719 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2wxm h MET 719 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2wxm h MET 719 CO -0.54 0.16 0.00 0.54 1.06 0.00 0.00 176.91 178.13 2wxm n ARG 720 N -4.15 0.13 -1.89 1.72 1.74 -0.15 -3.23 116.66 110.83 2wxm n ARG 720 Ca -0.02 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 2wxm n ARG 720 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2wxm n ARG 720 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wxm s GLN 721 N -2.85 4.00 0.22 5.56 -0.21 -0.88 -4.80 119.66 120.70 2wxm s GLN 721 Ca 0.16 2.40 -0.07 0.00 0.02 0.00 0.00 55.36 57.88 2wxm s GLN 721 Cb 0.17 -2.86 0.35 0.00 1.00 0.00 0.00 33.01 31.67 2wxm s GLN 721 CO 0.44 -0.56 1.75 0.93 -2.12 0.00 0.00 175.29 175.73 2wxm h GLU 722 N 2.80 0.47 -0.08 2.91 5.08 -1.90 -0.15 114.58 123.71 2wxm h GLU 722 Ca -0.50 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2wxm h GLU 722 Cb 1.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2wxm h GLU 722 CO 0.63 0.31 -0.02 1.79 -1.00 0.00 0.00 179.01 180.72 2wxm h THR 723 N 0.48 1.07 0.16 1.13 1.35 -1.93 -0.68 112.91 114.50 2wxm h THR 723 Ca 0.35 -0.27 -0.28 0.00 -0.55 0.00 0.00 66.41 65.66 2wxm h THR 723 Cb 0.44 1.03 0.02 0.00 -1.73 0.00 0.00 68.15 67.90 2wxm h THR 723 CO -0.32 0.09 -1.31 1.88 -0.25 0.00 0.00 175.52 175.61 2wxm h TYR 724 N 0.12 0.63 -0.89 4.73 -1.99 -1.32 -2.30 116.97 115.95 2wxm h TYR 724 Ca 0.03 -0.46 0.04 0.00 2.00 0.00 0.00 58.73 60.34 2wxm h TYR 724 Cb 0.11 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 38.76 2wxm h TYR 724 CO 0.00 1.51 0.57 0.52 -0.00 0.00 0.00 178.16 180.76 2wxm h MET 725 N -0.16 1.05 -0.11 4.88 2.86 -0.98 0.24 114.93 122.71 2wxm h MET 725 Ca -0.25 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2wxm h MET 725 Cb 1.87 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 33.29 2wxm h MET 725 CO 0.15 0.70 -0.11 1.49 1.06 0.00 0.00 176.91 180.20 2wxm h GLU 726 N 1.08 0.26 -0.22 1.72 4.81 -1.23 -2.84 114.58 118.16 2wxm h GLU 726 Ca 0.37 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2wxm h GLU 726 Cb 0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2wxm h GLU 726 CO -0.14 0.68 -0.18 0.00 -0.73 0.00 0.00 179.01 178.65 2wxm h ALA 727 N 0.58 1.28 -0.00 2.92 0.00 -0.87 -3.14 119.26 120.03 2wxm h ALA 727 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wxm h ALA 727 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wxm h ALA 727 CO 0.03 0.48 -0.53 1.28 0.00 0.00 0.00 179.25 180.50 2wxm n LEU 728 N -4.19 0.74 -4.80 0.00 4.77 0.79 -3.92 117.00 110.40 2wxm n LEU 728 Ca -0.00 -0.16 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 2wxm n LEU 728 Cb 0.34 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2wxm n LEU 728 CO 0.40 0.17 -0.21 -0.44 -1.33 0.00 0.00 177.39 175.98 2wxm s SER 729 N -2.89 5.50 -0.94 -1.43 0.01 -1.07 -4.67 113.70 108.21 2wxm s SER 729 Ca 0.13 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2wxm s SER 729 Cb 0.18 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.94 2wxm s SER 729 CO 0.69 0.05 0.81 1.41 0.41 0.00 0.00 173.24 176.61 2wxm n HIS 730 N -0.49 -2.08 -4.22 2.43 8.25 0.67 -4.95 115.22 114.82 2wxm n HIS 730 Ca -0.08 0.76 -0.14 0.00 -0.26 0.00 0.00 57.72 58.00 2wxm n HIS 730 Cb 0.55 -4.10 -0.10 0.00 1.12 0.00 0.00 29.99 27.46 2wxm n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2wxm s LEU 731 N -5.24 2.49 0.16 2.41 2.34 -0.16 -5.01 118.68 115.67 2wxm s LEU 731 Ca 0.30 -0.94 -0.30 0.00 0.06 0.00 0.00 54.13 53.25 2wxm s LEU 731 Cb -0.04 -0.33 -0.07 0.00 -0.56 0.00 0.00 46.19 45.19 2wxm s LEU 731 CO 0.64 -0.31 1.09 -1.10 -1.06 0.00 0.00 176.35 175.61 2wxm s GLN 732 N -3.42 4.59 0.07 1.48 -0.21 -1.26 0.37 119.66 121.28 2wxm s GLN 732 Ca 0.13 1.69 -0.31 0.00 0.02 0.00 0.00 55.36 56.89 2wxm s GLN 732 Cb 0.01 -3.30 -0.07 0.00 1.00 0.00 0.00 33.01 30.65 2wxm s GLN 732 CO 0.00 0.06 1.34 0.45 -2.12 0.00 0.00 175.29 175.02 2wxm s SER 733 N 0.01 6.91 0.63 5.90 0.15 -0.24 -4.86 113.70 122.19 2wxm s SER 733 Ca 0.50 2.18 0.35 0.00 0.70 0.00 0.00 55.95 59.68 2wxm s SER 733 Cb -0.29 -2.58 2.00 0.00 -1.71 0.00 0.00 66.02 63.45 2wxm s SER 733 CO 0.34 -0.62 2.24 -0.65 1.20 0.00 0.00 173.24 175.75 2wxm h PRO 734 N 7.07 0.00 0.00 5.44 0.11 -1.95 -2.11 132.00 140.57 2wxm h PRO 734 Ca -0.41 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 2wxm h PRO 734 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2wxm h PRO 734 CO 0.86 0.00 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.25 2wxm h LEU 735 N 0.00 0.00 -6.00 2.35 3.38 -1.95 -3.43 115.31 109.65 2wxm h LEU 735 Ca 0.02 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.16 2wxm h LEU 735 Cb 0.16 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.71 2wxm h LEU 735 CO -0.00 0.33 -0.09 -0.62 0.09 0.00 0.00 178.44 178.15 2wxm s ASP 736 N -6.33 -0.78 0.32 -0.43 2.15 -0.81 -4.89 116.67 105.91 2wxm s ASP 736 Ca 0.02 0.18 0.22 0.00 0.43 0.00 0.00 52.55 53.40 2wxm s ASP 736 Cb 0.09 1.53 1.18 0.00 -0.30 0.00 0.00 42.92 45.42 2wxm s ASP 736 CO 0.68 -0.14 1.69 -0.81 -0.17 0.00 0.00 175.17 176.42 2wxm n PRO 737 N 5.27 0.15 0.00 4.34 -0.04 -1.11 -0.74 135.00 142.87 2wxm n PRO 737 Ca 0.05 0.61 0.14 0.00 -0.04 0.00 0.00 63.50 64.26 2wxm n PRO 737 Cb 0.56 -1.96 0.57 0.00 -0.04 0.00 0.00 33.50 32.62 2wxm n PRO 737 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wxm n SER 738 N -2.28 0.11 -4.61 3.54 3.41 -1.26 -4.54 113.62 108.00 2wxm n SER 738 Ca -0.01 0.26 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 2wxm n SER 738 Cb 0.06 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 2wxm n SER 738 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wxm s THR 739 N -2.94 4.95 -0.18 6.66 2.01 0.08 -0.76 115.64 125.47 2wxm s THR 739 Ca 0.15 0.93 -0.23 0.00 0.31 0.00 0.00 61.69 62.85 2wxm s THR 739 Cb 0.19 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2wxm s THR 739 CO 0.55 -0.09 0.73 -0.76 -0.69 0.00 0.00 174.62 174.36 2wxm s LEU 740 N 2.58 4.16 -0.58 4.42 1.43 -1.26 -1.08 118.68 128.34 2wxm s LEU 740 Ca 0.25 1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 54.16 2wxm s LEU 740 Cb -0.15 -3.06 0.09 0.00 0.03 0.00 0.00 46.19 43.10 2wxm s LEU 740 CO 0.11 -0.33 0.73 -0.76 0.23 0.00 0.00 176.35 176.33 2wxm s LEU 741 N 1.98 5.16 0.00 1.79 1.43 0.16 -4.93 118.68 124.27 2wxm s LEU 741 Ca 0.33 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 2wxm s LEU 741 Cb -0.16 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2wxm s LEU 741 CO 0.12 -1.12 0.00 -0.62 0.23 0.00 0.00 176.35 174.96 2wxm n GLU 742 N 6.49 0.00 -3.43 1.70 -0.58 -1.26 -0.99 120.64 122.57 2wxm n GLU 742 Ca -0.08 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.28 2wxm n GLU 742 Cb 0.43 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.23 2wxm n GLU 742 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wxm s GLU 743 N 0.23 4.17 0.13 3.49 1.03 -0.78 -0.24 118.70 126.74 2wxm s GLU 743 Ca 0.00 0.15 -0.31 0.00 0.03 0.00 0.00 54.97 54.84 2wxm s GLU 743 Cb 0.00 -3.53 -0.08 0.00 -0.80 0.00 0.00 34.13 29.72 2wxm s GLU 743 CO 0.00 -0.00 1.42 0.54 -1.33 0.00 0.00 175.26 175.88 2wxm s VAL 744 N 1.21 3.15 -0.76 1.83 0.11 -1.26 -1.63 120.40 123.04 2wxm s VAL 744 Ca 0.18 0.84 -0.21 0.00 -2.93 0.00 0.00 61.98 59.85 2wxm s VAL 744 Cb -0.14 -3.54 0.09 0.00 -1.53 0.00 0.00 36.38 31.26 2wxm s VAL 744 CO 0.07 0.07 1.04 0.00 -3.33 0.00 0.00 175.10 172.95 2wxm h VAL 746 N 5.97 0.85 0.00 0.00 2.07 -1.93 -2.25 116.25 120.96 2wxm h VAL 746 Ca -0.12 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2wxm h VAL 746 Cb 1.05 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2wxm h VAL 746 CO 1.17 0.15 -0.19 -0.33 0.02 0.00 0.00 177.57 178.39 2wxm h GLU 747 N 0.81 0.00 0.00 1.57 4.39 -1.98 -1.89 114.58 117.48 2wxm h GLU 747 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 2wxm h GLU 747 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2wxm h GLU 747 CO -0.30 0.19 -0.78 1.96 -1.16 0.00 0.00 179.01 178.93 2wxm h GLN 748 N 0.00 0.00 -7.16 2.33 4.20 -1.81 -3.47 115.11 109.21 2wxm h GLN 748 Ca -0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 2wxm h GLN 748 Cb 0.43 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.26 2wxm h GLN 748 CO 0.02 0.00 0.38 0.00 -0.67 0.00 0.00 178.83 178.57 2wxm n THR 750 N -1.73 0.00 -3.86 0.00 5.66 -0.50 -5.01 114.28 108.83 2wxm n THR 750 Ca 0.09 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.98 2wxm n THR 750 Cb 0.53 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 2wxm n THR 750 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wxm s PHE 751 N -2.36 0.04 0.27 1.09 -0.12 -1.26 -1.63 117.98 114.00 2wxm s PHE 751 Ca 0.00 -0.15 -0.12 0.00 -0.05 0.00 0.00 56.93 56.61 2wxm s PHE 751 Cb 0.00 -0.04 -0.08 0.00 -0.63 0.00 0.00 43.02 42.27 2wxm s PHE 751 CO 0.00 -0.32 0.64 -1.64 -0.05 0.00 0.00 175.22 173.85 2wxm s MET 752 N -1.64 3.91 -0.55 1.99 -1.94 -0.27 -4.93 119.30 115.87 2wxm s MET 752 Ca -0.13 0.48 0.01 0.00 -1.71 0.00 0.00 55.69 54.34 2wxm s MET 752 Cb -0.06 -2.55 0.54 0.00 2.01 0.00 0.00 34.83 34.76 2wxm s MET 752 CO 0.01 0.25 1.97 -0.40 -0.01 0.00 0.00 175.02 176.84 2wxm n ASP 753 N -0.21 5.84 -4.09 3.03 3.85 -1.26 -3.90 116.55 119.80 2wxm n ASP 753 Ca 0.02 -3.67 -0.34 0.00 -0.71 0.00 0.00 54.79 50.09 2wxm n ASP 753 Cb 0.53 -0.91 -0.14 0.00 -1.35 0.00 0.00 41.12 39.25 2wxm n ASP 753 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2wxm s SER 754 N -1.51 4.93 0.00 -1.12 1.04 -1.26 -4.95 113.70 110.83 2wxm s SER 754 Ca 0.60 -1.82 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2wxm s SER 754 Cb 0.48 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2wxm s SER 754 CO 0.04 -0.39 0.00 0.29 0.98 0.00 0.00 173.24 174.17 2wxm n LYS 755 N 4.47 0.00 0.00 4.02 4.76 -1.26 -2.41 118.16 127.75 2wxm n LYS 755 Ca -0.04 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.54 2wxm n LYS 755 Cb 0.42 0.00 0.75 0.00 -1.84 0.00 0.00 35.03 34.36 2wxm n LYS 755 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2wxm n MET 756 N 0.00 0.51 -3.54 1.97 2.81 -1.26 -4.92 117.12 112.68 2wxm n MET 756 Ca 0.00 0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 2wxm n MET 756 Cb 0.00 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.06 2wxm n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wxm n LYS 757 N -1.23 -1.86 -1.68 0.03 4.01 -1.01 -4.66 118.16 111.76 2wxm n LYS 757 Ca 0.15 0.61 -0.42 0.00 -0.51 0.00 0.00 58.31 58.14 2wxm n LYS 757 Cb 0.20 -4.78 -0.00 0.00 -0.51 0.00 0.00 35.03 29.94 2wxm n LYS 757 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2wxm n PRO 758 N -3.87 1.97 -2.93 1.97 -0.02 -1.25 -4.63 135.00 126.23 2wxm n PRO 758 Ca -0.10 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 2wxm n PRO 758 Cb 0.61 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 2wxm n PRO 758 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wxm s LEU 759 N -0.96 4.48 -0.39 2.45 1.02 0.16 -1.12 118.68 124.33 2wxm s LEU 759 Ca 0.57 1.54 -0.08 0.00 0.02 0.00 0.00 54.13 56.19 2wxm s LEU 759 Cb -0.57 -3.31 0.06 0.00 0.02 0.00 0.00 46.19 42.40 2wxm s LEU 759 CO 0.61 0.03 0.20 0.86 0.02 0.00 0.00 176.35 178.07 2wxm s TRP 760 N -0.22 3.32 -0.22 0.29 -0.11 -0.65 -0.71 118.94 120.65 2wxm s TRP 760 Ca 0.40 -1.52 0.00 0.00 1.22 0.00 0.00 56.10 56.20 2wxm s TRP 760 Cb -0.21 -2.70 0.03 0.00 -1.50 0.00 0.00 33.47 29.08 2wxm s TRP 760 CO 0.25 -0.80 -0.13 0.42 -4.62 0.00 0.00 176.95 172.06 2wxm s ILE 761 N 1.40 2.38 0.19 5.86 -1.09 0.28 -1.41 121.20 128.82 2wxm s ILE 761 Ca 0.02 -1.10 0.01 0.00 -2.23 0.00 0.00 60.65 57.35 2wxm s ILE 761 Cb -0.21 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 2wxm s ILE 761 CO 0.02 0.31 0.36 -0.04 -1.23 0.00 0.00 174.94 174.36 2wxm s MET 762 N 1.27 3.48 0.07 2.79 -1.94 -1.26 -0.42 119.30 123.28 2wxm s MET 762 Ca 0.01 -0.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.51 2wxm s MET 762 Cb -0.16 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.76 2wxm s MET 762 CO -0.08 0.43 -0.02 0.71 -0.01 0.00 0.00 175.02 176.05 2wxm s TYR 763 N -1.85 0.61 0.09 -0.03 2.02 -0.18 -1.89 117.35 116.11 2wxm s TYR 763 Ca 0.37 -1.08 -0.05 0.00 -0.37 0.00 0.00 57.07 55.94 2wxm s TYR 763 Cb -0.11 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 41.01 2wxm s TYR 763 CO 0.29 -0.38 0.11 -1.54 -1.57 0.00 0.00 175.55 172.46 2wxm s SER 764 N -2.95 0.27 -0.14 2.29 1.04 -0.65 -2.37 113.70 111.19 2wxm s SER 764 Ca 0.10 -0.88 -0.06 0.00 0.48 0.00 0.00 55.95 55.59 2wxm s SER 764 Cb 0.08 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2wxm s SER 764 CO -0.08 -0.70 0.32 -0.55 0.98 0.00 0.00 173.24 173.20 2wxm s SER 765 N -2.92 -0.16 0.15 7.02 0.15 -1.25 -1.86 113.70 114.83 2wxm s SER 765 Ca 0.10 0.70 -0.17 0.00 0.70 0.00 0.00 55.95 57.27 2wxm s SER 765 Cb 0.06 0.71 0.05 0.00 -1.71 0.00 0.00 66.02 65.13 2wxm s SER 765 CO -0.08 -0.20 1.71 -0.33 1.20 0.00 0.00 173.24 175.55 2wxm h GLU 766 N 7.61 0.11 0.00 5.44 5.08 -1.96 -2.30 114.58 128.55 2wxm h GLU 766 Ca -0.29 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 2wxm h GLU 766 Cb 1.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2wxm h GLU 766 CO 0.26 0.07 -0.27 1.49 -1.00 0.00 0.00 179.01 179.56 2wxm h GLU 767 N 0.11 0.00 0.00 2.33 4.57 -1.97 -2.98 114.58 116.64 2wxm h GLU 767 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2wxm h GLU 767 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2wxm h GLU 767 CO -0.25 0.27 -0.94 0.00 -1.18 0.00 0.00 179.01 176.92 2wxm n ALA 768 N -2.48 2.84 -0.88 2.92 0.00 -1.18 -3.27 120.51 118.45 2wxm n ALA 768 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2wxm n ALA 768 Cb 0.32 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2wxm n ALA 768 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxm n GLY 769 N 1.27 2.70 0.34 0.00 0.00 -0.87 -2.91 105.19 105.72 2wxm n GLY 769 Ca 0.01 -0.43 0.20 0.00 0.00 0.00 0.00 46.02 45.81 2wxm n GLY 769 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wxm h SER 770 N 9.71 0.59 1.09 1.61 0.02 -1.93 0.31 113.55 124.95 2wxm h SER 770 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2wxm h SER 770 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2wxm h SER 770 CO 0.00 -0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2wxm h ALA 771 N 1.78 1.00 0.00 3.77 0.00 -1.90 -1.52 119.26 122.39 2wxm h ALA 771 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2wxm h ALA 771 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2wxm h ALA 771 CO -0.54 0.00 0.00 0.78 0.00 0.00 0.00 179.25 179.49 2wxm h GLY 772 N 2.86 0.00 -7.23 0.00 0.00 -0.94 -3.43 103.07 94.33 2wxm h GLY 772 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2wxm h GLY 772 CO 0.00 0.00 0.62 -1.31 0.00 0.00 0.00 176.54 175.85 2wxm s ASN 773 N -4.64 6.21 0.07 0.19 0.01 -0.57 -3.74 114.94 112.45 2wxm s ASN 773 Ca 0.08 -0.78 -0.06 0.00 -0.71 0.00 0.00 52.86 51.39 2wxm s ASN 773 Cb 0.11 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 2wxm s ASN 773 CO 0.53 -1.45 0.11 0.68 -1.51 0.00 0.00 177.10 175.46 2wxm s VAL 774 N 4.28 0.17 0.01 1.60 -7.23 -1.00 -5.00 120.40 113.23 2wxm s VAL 774 Ca 0.26 -1.37 -0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2wxm s VAL 774 Cb -0.15 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 2wxm s VAL 774 CO 0.13 -0.76 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.32 2wxm s GLY 775 N -2.79 0.15 0.10 2.32 0.00 -1.26 -1.01 107.32 104.83 2wxm s GLY 775 Ca 0.04 -0.38 0.09 0.00 0.00 0.00 0.00 44.72 44.47 2wxm s GLY 775 CO -0.10 -0.43 -0.22 -0.26 0.00 0.00 0.00 173.10 172.09 2wxm s ILE 776 N -0.98 1.83 -0.12 0.90 -4.36 0.44 -1.19 121.20 117.71 2wxm s ILE 776 Ca -0.11 -1.52 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 2wxm s ILE 776 Cb -0.07 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 2wxm s ILE 776 CO -0.01 0.03 -0.03 -0.63 0.24 0.00 0.00 174.94 174.54 2wxm s ILE 777 N -1.07 3.95 -0.17 8.37 1.01 -0.06 -0.56 121.20 132.67 2wxm s ILE 777 Ca 0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2wxm s ILE 777 Cb -0.10 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2wxm s ILE 777 CO 0.04 0.54 -0.01 0.12 0.00 0.00 0.00 174.94 175.63 2wxm s PHE 778 N -0.12 3.06 -0.07 3.97 5.36 0.12 -0.87 117.98 129.43 2wxm s PHE 778 Ca 0.03 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 2wxm s PHE 778 Cb -0.13 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 2wxm s PHE 778 CO 0.02 -0.08 -0.07 0.21 -1.46 0.00 0.00 175.22 173.85 2wxm s LYS 779 N 0.58 1.20 -0.12 10.12 2.20 -0.91 0.41 119.74 133.21 2wxm s LYS 779 Ca -0.01 -0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 2wxm s LYS 779 Cb -0.14 -1.18 0.02 0.00 -1.51 0.00 0.00 37.83 35.02 2wxm s LYS 779 CO 0.02 -0.12 -0.14 1.21 -0.36 0.00 0.00 175.35 175.96 2wxm s ASN 780 N 1.15 2.51 0.00 1.43 2.47 -1.26 -2.23 114.94 119.01 2wxm s ASN 780 Ca -0.06 -0.44 0.00 0.00 0.42 0.00 0.00 52.86 52.78 2wxm s ASN 780 Cb -0.14 -1.10 0.00 0.00 -1.45 0.00 0.00 41.25 38.56 2wxm s ASN 780 CO -0.01 -0.02 0.00 0.61 -3.72 0.00 0.00 177.10 173.96 2wxm n GLY 781 N 4.46 1.33 3.74 1.21 0.00 0.55 -4.84 105.19 111.64 2wxm n GLY 781 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2wxm n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wxm s ASP 782 N -0.83 5.05 -0.27 1.61 1.01 -1.23 -5.00 116.67 117.01 2wxm s ASP 782 Ca 0.00 -0.43 -0.23 0.00 0.71 0.00 0.00 52.55 52.60 2wxm s ASP 782 Cb 0.00 -1.14 -0.01 0.00 1.01 0.00 0.00 42.92 42.79 2wxm s ASP 782 CO 0.00 -0.01 0.78 -0.62 0.21 0.00 0.00 175.17 175.53 2wxm s ASP 783 N -3.69 6.73 0.00 0.27 -1.08 -1.26 -4.03 116.67 113.61 2wxm s ASP 783 Ca 0.32 0.85 0.25 0.00 -0.52 0.00 0.00 52.55 53.45 2wxm s ASP 783 Cb -0.07 -2.41 0.48 0.00 -1.46 0.00 0.00 42.92 39.46 2wxm s ASP 783 CO 0.22 -0.52 1.40 0.18 0.52 0.00 0.00 175.17 176.97 2wxm n LEU 784 N 6.02 1.71 -0.21 -1.34 4.77 -1.26 -4.51 117.00 122.18 2wxm n LEU 784 Ca 0.04 -0.57 -0.06 0.00 -0.03 0.00 0.00 56.01 55.39 2wxm n LEU 784 Cb 0.48 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2wxm n LEU 784 CO 0.47 0.31 1.09 0.03 -1.33 0.00 0.00 177.39 177.96 2wxm h ARG 785 N 2.29 0.80 0.02 3.23 3.08 -1.99 -1.79 114.38 120.02 2wxm h ARG 785 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2wxm h ARG 785 Cb 0.66 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2wxm h ARG 785 CO 0.00 0.57 -0.17 0.37 -1.07 0.00 0.00 179.97 179.67 2wxm h GLN 786 N 0.80 -0.22 -1.05 0.04 5.75 -1.91 -1.09 115.11 117.43 2wxm h GLN 786 Ca 0.21 0.02 0.27 0.00 -0.15 0.00 0.00 58.65 59.00 2wxm h GLN 786 Cb -0.03 0.05 -0.09 0.00 1.07 0.00 0.00 27.48 28.48 2wxm h GLN 786 CO -0.04 -0.15 0.68 -0.44 -2.65 0.00 0.00 178.83 176.23 2wxm h ASP 787 N -0.23 0.39 -0.26 -0.69 5.19 -1.61 0.33 116.42 119.54 2wxm h ASP 787 Ca 0.00 0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.38 2wxm h ASP 787 Cb 0.24 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 2wxm h ASP 787 CO -0.10 0.08 -0.25 -0.03 -3.12 0.00 0.00 179.24 175.81 2wxm h MET 788 N 0.35 0.63 0.21 3.56 1.85 -0.85 -0.15 114.93 120.53 2wxm h MET 788 Ca 0.59 -0.33 0.00 0.00 -0.61 0.00 0.00 59.70 59.35 2wxm h MET 788 Cb 1.58 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.60 2wxm h MET 788 CO -0.26 0.93 -0.22 1.25 -0.40 0.00 0.00 176.91 178.21 2wxm h LEU 789 N 0.35 -0.58 -0.45 3.39 5.85 0.29 -0.24 115.31 123.91 2wxm h LEU 789 Ca 0.04 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2wxm h LEU 789 Cb 0.81 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 2wxm h LEU 789 CO 0.06 -0.32 0.09 0.74 -0.34 0.00 0.00 178.44 178.67 2wxm h THR 790 N -0.47 0.76 -0.69 1.05 2.02 -1.09 -0.24 112.91 114.25 2wxm h THR 790 Ca -0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2wxm h THR 790 Cb 0.44 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2wxm h THR 790 CO -0.05 0.04 0.36 -0.07 0.37 0.00 0.00 175.52 176.17 2wxm h LEU 791 N 0.22 0.88 -1.23 2.58 3.38 -0.91 -1.89 115.31 118.34 2wxm h LEU 791 Ca 0.22 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2wxm h LEU 791 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2wxm h LEU 791 CO -0.29 0.74 -0.18 1.56 0.09 0.00 0.00 178.44 180.36 2wxm h GLN 792 N 0.95 0.31 -0.00 1.13 4.20 -0.04 -0.64 115.11 121.02 2wxm h GLN 792 Ca 0.24 -0.09 -0.21 0.00 0.06 0.00 0.00 58.65 58.66 2wxm h GLN 792 Cb 0.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wxm h GLN 792 CO -0.04 0.48 -0.89 0.52 -0.67 0.00 0.00 178.83 178.24 2wxm h MET 793 N 0.28 0.30 -0.27 1.46 2.86 -0.78 -1.15 114.93 117.64 2wxm h MET 793 Ca 0.05 -0.32 -0.13 0.00 -2.06 0.00 0.00 59.70 57.24 2wxm h MET 793 Cb 0.49 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2wxm h MET 793 CO 0.03 1.02 -0.39 0.82 1.06 0.00 0.00 176.91 179.45 2wxm h ILE 794 N 0.17 1.29 -0.63 -1.22 2.04 -1.07 -1.31 117.51 116.78 2wxm h ILE 794 Ca -0.06 -1.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 2wxm h ILE 794 Cb 1.51 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.07 2wxm h ILE 794 CO 0.14 0.49 0.39 -0.61 0.00 0.00 0.00 178.15 178.56 2wxm h GLN 795 N 0.51 0.86 -0.53 2.37 4.15 -0.78 -1.21 115.11 120.47 2wxm h GLN 795 Ca 0.05 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.41 2wxm h GLN 795 Cb 0.90 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2wxm h GLN 795 CO 0.08 0.61 0.33 1.25 -1.93 0.00 0.00 178.83 179.17 2wxm h LEU 796 N 0.86 0.56 -0.28 -2.39 5.85 -0.86 -1.02 115.31 118.02 2wxm h LEU 796 Ca 0.23 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2wxm h LEU 796 Cb -0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2wxm h LEU 796 CO -0.04 0.40 -0.01 0.24 -0.34 0.00 0.00 178.44 178.69 2wxm h MET 797 N 0.67 0.07 -0.96 1.25 2.86 -0.80 -0.60 114.93 117.43 2wxm h MET 797 Ca 0.21 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 2wxm h MET 797 Cb -0.02 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.54 2wxm h MET 797 CO -0.07 0.05 0.59 0.22 1.06 0.00 0.00 176.91 178.76 2wxm h ASP 798 N 0.07 0.89 0.08 1.22 3.58 -0.89 0.19 116.42 121.56 2wxm h ASP 798 Ca 0.14 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2wxm h ASP 798 Cb 0.18 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2wxm h ASP 798 CO -0.24 0.50 -0.04 0.58 -2.88 0.00 0.00 179.24 177.17 2wxm h VAL 799 N 0.98 1.13 -0.98 2.25 2.07 -0.47 -0.53 116.25 120.70 2wxm h VAL 799 Ca 0.46 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.28 2wxm h VAL 799 Cb 0.39 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 2wxm h VAL 799 CO -0.24 0.19 0.64 -0.07 0.02 0.00 0.00 177.57 178.10 2wxm h LEU 800 N -0.45 1.02 0.00 2.57 3.38 -0.85 -0.05 115.31 120.93 2wxm h LEU 800 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wxm h LEU 800 Cb 0.38 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wxm h LEU 800 CO 0.02 0.65 -0.00 -0.50 0.09 0.00 0.00 178.44 178.70 2wxm h TRP 801 N 1.15 -0.00 -0.03 1.13 6.55 -0.50 -2.71 115.95 121.54 2wxm h TRP 801 Ca 0.42 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.25 2wxm h TRP 801 Cb 0.16 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.45 2wxm h TRP 801 CO -0.00 0.26 -0.03 0.87 -1.05 0.00 0.00 178.44 178.49 2wxm h LYS 802 N -0.27 0.04 0.00 0.49 1.57 -0.52 -0.28 116.57 117.59 2wxm h LYS 802 Ca -0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2wxm h LYS 802 Cb 0.26 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2wxm h LYS 802 CO 0.00 0.07 -0.05 1.96 -0.57 0.00 0.00 179.45 180.86 2wxm h GLN 803 N 0.04 0.00 -0.57 3.15 4.20 -0.69 -0.40 115.11 120.84 2wxm h GLN 803 Ca 0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 2wxm h GLN 803 Cb 0.08 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 2wxm h GLN 803 CO 0.00 0.05 0.12 0.39 -0.67 0.00 0.00 178.83 178.72 2wxm n GLU 804 N -3.24 3.76 -2.28 1.46 -0.58 -0.26 -4.96 120.64 114.54 2wxm n GLU 804 Ca -0.01 -3.07 -0.09 0.00 -0.42 0.00 0.00 57.16 53.57 2wxm n GLU 804 Cb 0.25 -2.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.99 2wxm n GLU 804 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wxm n GLY 805 N -0.09 0.06 3.13 0.62 0.00 -0.16 -5.03 105.19 103.72 2wxm n GLY 805 Ca 0.33 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2wxm n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxm s LEU 806 N -2.65 2.99 -0.44 0.99 2.96 -0.35 -4.98 118.68 117.21 2wxm s LEU 806 Ca 0.03 -0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 52.86 2wxm s LEU 806 Cb -0.02 -1.58 0.10 0.00 0.50 0.00 0.00 46.19 45.20 2wxm s LEU 806 CO 0.04 -0.12 0.30 -0.62 -1.32 0.00 0.00 176.35 174.63 2wxm s ASP 807 N 1.24 5.64 -0.08 3.68 -1.08 -1.26 -2.09 116.67 122.72 2wxm s ASP 807 Ca -0.02 -1.73 0.11 0.00 -0.52 0.00 0.00 52.55 50.39 2wxm s ASP 807 Cb -0.17 -1.99 0.46 0.00 -1.46 0.00 0.00 42.92 39.77 2wxm s ASP 807 CO -0.07 -0.61 1.30 0.18 0.52 0.00 0.00 175.17 176.49 2wxm n LEU 808 N 4.89 3.24 -3.57 -1.34 4.77 -1.26 -4.92 117.00 118.81 2wxm n LEU 808 Ca -0.09 -1.64 -0.21 0.00 -0.03 0.00 0.00 56.01 54.05 2wxm n LEU 808 Cb 0.42 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2wxm n LEU 808 CO 0.40 0.55 0.15 0.54 -1.33 0.00 0.00 177.39 177.70 2wxm n ARG 809 N 0.60 -6.89 -1.29 3.23 5.12 -1.26 -2.05 116.66 114.12 2wxm n ARG 809 Ca 0.16 0.80 -0.30 0.00 -1.93 0.00 0.00 57.85 56.58 2wxm n ARG 809 Cb 0.63 -5.77 0.12 0.00 -1.16 0.00 0.00 32.46 26.28 2wxm n ARG 809 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2wxm s MET 810 N -5.91 1.51 -0.47 5.56 -1.94 -1.26 -4.61 119.30 112.18 2wxm s MET 810 Ca 0.29 0.80 0.03 0.00 -1.71 0.00 0.00 55.69 55.10 2wxm s MET 810 Cb -0.13 -1.84 0.15 0.00 2.01 0.00 0.00 34.83 35.02 2wxm s MET 810 CO 0.75 -2.06 0.31 0.99 -0.01 0.00 0.00 175.02 175.00 2wxm s THR 811 N -2.98 1.23 -1.40 2.05 2.01 -1.26 -5.03 115.64 110.26 2wxm s THR 811 Ca 0.63 -2.81 -0.10 0.00 0.31 0.00 0.00 61.69 59.72 2wxm s THR 811 Cb -0.17 -1.84 0.08 0.00 0.01 0.00 0.00 72.50 70.58 2wxm s THR 811 CO 0.56 -1.03 2.25 -0.81 -0.69 0.00 0.00 174.62 174.90 2wxm n PRO 812 N 3.11 3.57 -2.13 4.92 -0.04 -1.26 -4.96 135.00 138.20 2wxm n PRO 812 Ca 0.17 -3.02 -0.35 0.00 -0.04 0.00 0.00 63.50 60.27 2wxm n PRO 812 Cb 0.39 -2.97 0.01 0.00 -0.04 0.00 0.00 33.50 30.89 2wxm n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wxm s TYR 813 N 1.27 2.66 0.45 0.54 -0.85 -1.26 -5.01 117.35 115.14 2wxm s TYR 813 Ca 0.49 1.55 -0.23 0.00 -0.52 0.00 0.00 57.07 58.35 2wxm s TYR 813 Cb 0.14 -3.26 -0.08 0.00 0.38 0.00 0.00 41.96 39.14 2wxm s TYR 813 CO -0.05 -1.61 1.17 0.20 -1.52 0.00 0.00 175.55 173.74 2wxm s GLY 814 N -1.98 2.80 -0.17 5.49 0.00 -1.26 -4.85 107.32 107.34 2wxm s GLY 814 Ca 0.71 0.96 -0.07 0.00 0.00 0.00 0.00 44.72 46.32 2wxm s GLY 814 CO 0.31 1.43 0.38 0.00 0.00 0.00 0.00 173.10 175.21 2wxm s LEU 816 N 2.07 -0.07 0.37 0.00 2.96 -0.04 -4.80 118.68 119.17 2wxm s LEU 816 Ca -0.04 -0.35 -0.27 0.00 -0.22 0.00 0.00 54.13 53.25 2wxm s LEU 816 Cb -0.11 0.33 -0.09 0.00 0.50 0.00 0.00 46.19 46.82 2wxm s LEU 816 CO -0.12 -0.34 1.21 -2.84 -1.32 0.00 0.00 176.35 172.94 2wxm s PRO 817 N 2.31 4.21 0.00 0.98 0.02 -1.26 -1.08 135.00 140.17 2wxm s PRO 817 Ca 0.07 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.06 2wxm s PRO 817 Cb -0.16 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2wxm s PRO 817 CO -0.15 -0.23 0.00 0.25 -0.33 0.00 0.00 177.00 176.54 2wxm n THR 818 N 0.43 0.00 -3.14 0.99 -2.24 0.66 -4.72 114.28 106.27 2wxm n THR 818 Ca 0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2wxm n THR 818 Cb 0.45 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2wxm n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wxm n GLY 819 N 2.04 1.47 3.63 3.38 0.00 -0.89 -3.65 105.19 111.16 2wxm n GLY 819 Ca 0.00 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2wxm n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wxm s ASP 820 N 0.00 6.20 -1.76 1.61 -1.08 -1.26 -2.48 116.67 117.91 2wxm s ASP 820 Ca 0.00 1.75 -0.17 0.00 -0.52 0.00 0.00 52.55 53.61 2wxm s ASP 820 Cb 0.00 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 39.10 2wxm s ASP 820 CO 0.00 -1.38 0.53 0.54 0.52 0.00 0.00 175.17 175.38 2wxm n ARG 821 N 7.89 -1.47 -3.94 4.34 1.74 -1.26 -4.76 116.66 119.20 2wxm n ARG 821 Ca 0.21 0.20 -0.14 0.00 -0.77 0.00 0.00 57.85 57.35 2wxm n ARG 821 Cb 0.45 -4.60 -0.15 0.00 -1.02 0.00 0.00 32.46 27.14 2wxm n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wxm s THR 822 N -3.49 0.12 0.00 0.55 2.01 -1.03 -0.33 115.64 113.47 2wxm s THR 822 Ca 0.63 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.52 2wxm s THR 822 Cb -0.36 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.04 2wxm s THR 822 CO 0.99 0.06 0.42 0.61 -0.69 0.00 0.00 174.62 176.02 2wxm n GLY 823 N 3.35 0.58 3.32 4.40 0.00 -0.95 -0.24 105.19 115.65 2wxm n GLY 823 Ca -0.17 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 2wxm n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxm s LEU 824 N 0.00 2.26 -0.02 0.99 1.43 -0.24 -2.14 118.68 120.95 2wxm s LEU 824 Ca 0.10 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2wxm s LEU 824 Cb -0.00 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 2wxm s LEU 824 CO 0.00 0.15 -0.22 -0.63 0.23 0.00 0.00 176.35 175.88 2wxm s ILE 825 N -0.99 1.74 0.07 -0.59 1.09 -0.05 -0.86 121.20 121.61 2wxm s ILE 825 Ca 0.10 -0.95 -0.30 0.00 -1.10 0.00 0.00 60.65 58.40 2wxm s ILE 825 Cb -0.10 -1.45 -0.05 0.00 -1.06 0.00 0.00 42.46 39.81 2wxm s ILE 825 CO 0.04 0.49 0.98 -0.70 -0.10 0.00 0.00 174.94 175.66 2wxm s GLU 826 N -0.52 4.63 0.04 2.79 2.12 0.41 -0.88 118.70 127.29 2wxm s GLU 826 Ca 0.09 1.46 -0.30 0.00 0.36 0.00 0.00 54.97 56.58 2wxm s GLU 826 Cb -0.09 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2wxm s GLU 826 CO -0.01 0.09 1.12 0.08 -0.54 0.00 0.00 175.26 176.00 2wxm s VAL 827 N 0.40 4.34 -0.41 3.70 1.01 -0.33 -4.72 120.40 124.39 2wxm s VAL 827 Ca 0.49 1.68 -0.14 0.00 0.00 0.00 0.00 61.98 64.01 2wxm s VAL 827 Cb -0.23 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2wxm s VAL 827 CO 0.29 0.13 0.28 -0.69 0.00 0.00 0.00 175.10 175.12 2wxm s VAL 828 N 1.05 5.05 0.67 2.92 1.01 -1.26 -4.62 120.40 125.22 2wxm s VAL 828 Ca 0.56 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 2wxm s VAL 828 Cb -0.26 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.28 2wxm s VAL 828 CO 0.29 -0.33 1.05 -0.76 0.00 0.00 0.00 175.10 175.35 2wxm s LEU 829 N 1.63 3.00 -1.33 3.92 1.43 -1.26 -3.91 118.68 122.18 2wxm s LEU 829 Ca 0.04 1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2wxm s LEU 829 Cb -0.20 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.14 2wxm s LEU 829 CO 0.09 -1.24 0.87 1.41 0.23 0.00 0.00 176.35 177.71 2wxm n HIS 830 N -2.89 -2.15 -4.11 0.29 8.25 -1.26 -4.87 115.22 108.48 2wxm n HIS 830 Ca 0.06 0.90 -0.09 0.00 -0.26 0.00 0.00 57.72 58.33 2wxm n HIS 830 Cb 0.57 -4.56 -0.10 0.00 1.12 0.00 0.00 29.99 27.01 2wxm n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wxm s SER 831 N -4.07 0.73 0.13 0.41 1.04 -1.25 -2.14 113.70 108.55 2wxm s SER 831 Ca 0.18 -0.93 -0.10 0.00 0.48 0.00 0.00 55.95 55.57 2wxm s SER 831 Cb -0.09 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2wxm s SER 831 CO 0.79 -0.50 0.28 -0.62 0.98 0.00 0.00 173.24 174.16 2wxm s ASP 832 N -2.75 0.02 0.45 7.02 -1.08 -0.80 -4.97 116.67 114.55 2wxm s ASP 832 Ca 0.06 -0.69 -0.21 0.00 -0.52 0.00 0.00 52.55 51.19 2wxm s ASP 832 Cb 0.04 0.41 -0.09 0.00 -1.46 0.00 0.00 42.92 41.82 2wxm s ASP 832 CO -0.07 -0.83 1.02 0.42 0.52 0.00 0.00 175.17 176.23 2wxm s THR 833 N -3.90 3.89 0.20 1.71 -4.23 -1.26 -1.31 115.64 110.74 2wxm s THR 833 Ca 0.10 1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 61.73 2wxm s THR 833 Cb 0.03 -3.55 0.15 0.00 1.34 0.00 0.00 72.50 70.48 2wxm s THR 833 CO -0.06 -0.19 1.68 0.40 -0.54 0.00 0.00 174.62 175.91 2wxm h ILE 834 N 1.80 0.57 -0.39 2.99 1.08 -1.38 -1.01 117.51 121.17 2wxm h ILE 834 Ca -0.49 -0.04 0.07 0.00 -0.39 0.00 0.00 64.86 64.00 2wxm h ILE 834 Cb 1.21 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 2wxm h ILE 834 CO 0.60 0.02 0.05 0.00 -0.69 0.00 0.00 178.15 178.13 2wxm h ALA 835 N 1.48 0.40 -0.18 1.87 0.00 -0.94 0.63 119.26 122.52 2wxm h ALA 835 Ca 0.27 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2wxm h ALA 835 Cb 0.42 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wxm h ALA 835 CO -0.45 -0.35 0.11 -0.97 0.00 0.00 0.00 179.25 177.59 2wxm h ASN 836 N 0.16 0.22 -0.79 0.00 -1.24 -1.72 -1.21 115.58 111.00 2wxm h ASN 836 Ca 0.19 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.16 2wxm h ASN 836 Cb 0.25 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.20 2wxm h ASN 836 CO -0.28 0.21 0.52 0.40 -1.29 0.00 0.00 177.43 176.99 2wxm h ILE 837 N 0.22 1.19 0.00 2.57 2.04 -0.67 -2.09 117.51 120.77 2wxm h ILE 837 Ca 0.07 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2wxm h ILE 837 Cb 0.02 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2wxm h ILE 837 CO -0.01 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.33 2wxm n GLN 838 N -4.54 0.14 0.20 2.37 6.02 0.21 -2.22 117.38 119.56 2wxm n GLN 838 Ca 0.08 0.20 0.14 0.00 -0.01 0.00 0.00 57.00 57.40 2wxm n GLN 838 Cb 0.02 -1.50 0.73 0.00 1.02 0.00 0.00 30.24 30.51 2wxm n GLN 838 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wxm h LEU 839 N 0.00 0.00 -2.14 1.08 3.38 -0.52 -3.46 115.31 113.65 2wxm h LEU 839 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2wxm h LEU 839 Cb 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2wxm h LEU 839 CO 0.00 0.00 -0.92 -3.20 0.09 0.00 0.00 178.44 174.41 2wxm n ASN 840 N -2.43 -0.57 -4.77 -0.43 5.15 -0.94 -4.89 115.26 106.38 2wxm n ASN 840 Ca -0.02 -1.08 -0.37 0.00 -0.60 0.00 0.00 54.58 52.51 2wxm n ASN 840 Cb 0.04 -2.69 0.00 0.00 -0.53 0.00 0.00 39.78 36.60 2wxm n ASN 840 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wxm s LYS 841 N -6.73 3.59 0.76 1.20 1.02 -1.26 -4.86 119.74 113.46 2wxm s LYS 841 Ca 0.06 1.90 -0.11 0.00 0.02 0.00 0.00 55.97 57.84 2wxm s LYS 841 Cb -0.03 -2.37 0.05 0.00 -0.52 0.00 0.00 37.83 34.96 2wxm s LYS 841 CO 0.91 -0.72 1.09 -1.54 -0.92 0.00 0.00 175.35 174.17 2wxm s SER 842 N -1.25 4.66 -0.62 2.83 1.04 -1.26 -4.18 113.70 114.92 2wxm s SER 842 Ca 0.66 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2wxm s SER 842 Cb -0.32 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2wxm s SER 842 CO 0.38 -1.93 0.00 -3.20 0.98 0.00 0.00 173.24 169.47 2wxm n ASN 843 N -3.43 -3.25 -4.35 7.02 5.15 -1.26 -5.01 115.26 110.14 2wxm n ASN 843 Ca 0.09 0.09 -0.18 0.00 -0.60 0.00 0.00 54.58 53.98 2wxm n ASN 843 Cb 0.53 -1.83 -0.10 0.00 -0.53 0.00 0.00 39.78 37.85 2wxm n ASN 843 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wxm s MET 844 N -3.25 1.36 0.33 1.20 -1.94 -1.26 -5.03 119.30 110.71 2wxm s MET 844 Ca 0.00 -1.67 0.13 0.00 -1.71 0.00 0.00 55.69 52.44 2wxm s MET 844 Cb 0.00 -0.79 0.57 0.00 2.01 0.00 0.00 34.83 36.62 2wxm s MET 844 CO 0.00 -0.02 1.72 0.00 -0.01 0.00 0.00 175.02 176.70 2wxm h ALA 845 N 2.46 1.12 -0.02 3.03 0.00 -1.95 -3.19 119.26 120.71 2wxm h ALA 845 Ca -0.39 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2wxm h ALA 845 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wxm h ALA 845 CO 0.65 0.60 0.00 0.00 0.00 0.00 0.00 179.25 180.50 2wxm n ALA 846 N -2.41 2.62 -1.68 0.00 0.00 -1.26 -4.92 120.51 112.86 2wxm n ALA 846 Ca -0.01 -0.23 -0.49 0.00 0.00 0.00 0.00 53.44 52.71 2wxm n ALA 846 Cb 0.52 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 2wxm n ALA 846 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wxm n THR 847 N -0.62 0.45 -4.33 0.00 -1.04 -1.21 -4.59 114.28 102.93 2wxm n THR 847 Ca 0.18 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.88 2wxm n THR 847 Cb 0.14 -1.72 -0.08 0.00 -1.82 0.00 0.00 70.33 66.85 2wxm n THR 847 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wxm s ALA 848 N 3.45 3.09 0.11 2.41 0.00 -1.26 -5.03 121.76 124.54 2wxm s ALA 848 Ca 0.91 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2wxm s ALA 848 Cb -0.74 -0.62 -0.21 0.00 0.00 0.00 0.00 23.12 21.54 2wxm s ALA 848 CO 0.51 0.24 1.26 0.00 0.00 0.00 0.00 175.76 177.78 2wxm h ALA 849 N 1.95 0.32 -3.55 0.00 0.00 -1.97 -3.44 119.26 112.56 2wxm h ALA 849 Ca -0.43 -0.90 -0.32 0.00 0.00 0.00 0.00 54.91 53.26 2wxm h ALA 849 Cb 1.25 -0.13 -0.33 0.00 0.00 0.00 0.00 17.79 18.58 2wxm h ALA 849 CO 0.61 1.20 -0.74 -0.06 0.00 0.00 0.00 179.25 180.26 2wxm s PHE 850 N -2.71 0.23 0.44 0.00 0.08 -1.26 -5.04 117.98 109.71 2wxm s PHE 850 Ca 0.00 0.02 0.24 0.00 0.12 0.00 0.00 56.93 57.32 2wxm s PHE 850 Cb 0.10 -0.33 1.25 0.00 -0.57 0.00 0.00 43.02 43.47 2wxm s PHE 850 CO 0.83 -0.10 1.77 -0.97 -0.10 0.00 0.00 175.22 176.65 2wxm h ASN 851 N 7.08 0.31 0.17 1.36 -1.24 -1.98 0.27 115.58 121.55 2wxm h ASN 851 Ca -0.41 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.67 2wxm h ASN 851 Cb 1.14 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2wxm h ASN 851 CO 0.48 0.04 0.00 2.29 -1.29 0.00 0.00 177.43 178.95 2wxm n LYS 852 N -4.52 0.08 0.01 6.67 2.85 -1.26 -1.40 118.16 120.60 2wxm n LYS 852 Ca 0.26 0.50 0.11 0.00 -1.05 0.00 0.00 58.31 58.14 2wxm n LYS 852 Cb 1.03 -1.71 -0.06 0.00 -0.65 0.00 0.00 35.03 33.64 2wxm n LYS 852 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2wxm n ASP 853 N -1.87 0.57 -0.09 -5.58 8.00 0.93 -4.57 116.55 113.94 2wxm n ASP 853 Ca 0.00 -0.34 -0.11 0.00 0.71 0.00 0.00 54.79 55.05 2wxm n ASP 853 Cb 0.07 1.12 -0.06 0.00 -0.02 0.00 0.00 41.12 42.23 2wxm n ASP 853 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wxm h ALA 854 N 2.52 -0.52 -0.86 2.24 0.00 -1.31 0.16 119.26 121.48 2wxm h ALA 854 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2wxm h ALA 854 Cb 0.74 0.89 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2wxm h ALA 854 CO 0.00 -0.91 0.43 1.25 0.00 0.00 0.00 179.25 180.03 2wxm h LEU 855 N -0.39 1.11 -0.36 0.00 6.46 -1.81 -0.32 115.31 120.00 2wxm h LEU 855 Ca 0.11 -0.13 -0.19 0.00 -0.12 0.00 0.00 57.88 57.56 2wxm h LEU 855 Cb 0.60 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2wxm h LEU 855 CO -0.52 0.92 -0.62 0.25 -0.62 0.00 0.00 178.44 177.85 2wxm h LEU 856 N 1.21 0.79 -0.37 2.25 5.85 -1.65 -2.28 115.31 121.11 2wxm h LEU 856 Ca 0.30 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.60 2wxm h LEU 856 Cb 0.09 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2wxm h LEU 856 CO -0.04 1.22 0.14 0.78 -0.34 0.00 0.00 178.44 180.20 2wxm h ASN 857 N 0.51 0.16 -0.69 1.25 4.21 -0.37 -1.21 115.58 119.44 2wxm h ASN 857 Ca -0.01 0.04 0.09 0.00 1.21 0.00 0.00 56.30 57.63 2wxm h ASN 857 Cb 1.21 0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 38.35 2wxm h ASN 857 CO 0.12 0.13 0.34 -0.25 -1.29 0.00 0.00 177.43 176.48 2wxm h TRP 858 N 0.30 0.60 -0.68 1.19 7.01 -0.88 0.18 115.95 123.68 2wxm h TRP 858 Ca 0.17 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 2wxm h TRP 858 Cb 0.13 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 2wxm h TRP 858 CO -0.14 0.22 0.22 -0.07 -2.79 0.00 0.00 178.44 175.88 2wxm h LEU 859 N 0.58 0.98 -0.34 0.65 3.38 -1.10 -2.08 115.31 117.38 2wxm h LEU 859 Ca 0.34 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2wxm h LEU 859 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2wxm h LEU 859 CO -0.27 0.92 0.18 0.11 0.09 0.00 0.00 178.44 179.48 2wxm h LYS 860 N 0.98 0.37 -1.01 1.13 1.57 -0.46 -1.04 116.57 118.11 2wxm h LYS 860 Ca 0.22 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2wxm h LYS 860 Cb 0.28 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 2wxm h LYS 860 CO -0.01 0.24 0.66 0.66 -0.57 0.00 0.00 179.45 180.44 2wxm h SER 861 N 0.38 1.11 1.71 0.86 4.64 -0.31 -2.14 113.55 119.79 2wxm h SER 861 Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2wxm h SER 861 Cb 0.02 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 2wxm h SER 861 CO -0.08 0.77 -0.25 0.11 -0.87 0.00 0.00 176.83 176.51 2wxm h LYS 862 N 1.29 0.00 -2.13 4.77 1.79 -1.25 -3.40 116.57 117.65 2wxm h LYS 862 Ca 0.39 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.28 2wxm h LYS 862 Cb -0.03 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.21 2wxm h LYS 862 CO -0.12 0.00 -0.88 0.09 -1.08 0.00 0.00 179.45 177.46 2wxm n ASN 863 N -2.93 1.66 -4.77 0.86 3.02 -0.41 -5.01 115.26 107.68 2wxm n ASN 863 Ca 0.03 -2.99 -0.34 0.00 -0.03 0.00 0.00 54.58 51.25 2wxm n ASN 863 Cb 0.53 -0.65 0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2wxm n ASN 863 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2wxm s PRO 864 N -1.65 2.99 7.24 3.52 0.04 -1.18 -2.58 135.00 143.38 2wxm s PRO 864 Ca 0.37 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2wxm s PRO 864 Cb 0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2wxm s PRO 864 CO -0.08 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.25 2wxm n GLY 865 N -0.14 3.73 0.28 0.56 0.00 -1.26 -2.65 105.19 105.70 2wxm n GLY 865 Ca 0.11 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.29 2wxm n GLY 865 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wxm h GLU 866 N 0.00 0.00 0.00 1.61 5.08 -2.03 -2.21 114.58 117.04 2wxm h GLU 866 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2wxm h GLU 866 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wxm h GLU 866 CO 0.00 0.04 -0.07 0.00 -1.00 0.00 0.00 179.01 177.97 2wxm h ALA 867 N 1.96 1.53 -0.32 3.43 0.00 -1.71 -3.23 119.26 120.92 2wxm h ALA 867 Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2wxm h ALA 867 Cb 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2wxm h ALA 867 CO 0.00 0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.59 2wxm h LEU 868 N 0.00 -0.15 -0.88 0.00 5.85 -1.12 -2.42 115.31 116.58 2wxm h LEU 868 Ca -0.00 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2wxm h LEU 868 Cb 0.17 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 2wxm h LEU 868 CO 0.01 -0.04 0.53 0.44 -0.34 0.00 0.00 178.44 179.04 2wxm h ASP 869 N 0.08 0.79 -0.18 1.25 3.32 -1.79 -0.64 116.42 119.25 2wxm h ASP 869 Ca 0.15 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2wxm h ASP 869 Cb 0.21 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2wxm h ASP 869 CO -0.27 0.46 -0.20 -0.09 -1.72 0.00 0.00 179.24 177.43 2wxm h ARG 870 N 0.90 0.61 -0.34 3.56 9.65 -1.64 -1.54 114.38 125.59 2wxm h ARG 870 Ca 0.42 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 59.03 2wxm h ARG 870 Cb 0.33 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2wxm h ARG 870 CO -0.23 0.78 0.06 0.00 2.80 0.00 0.00 179.97 183.38 2wxm h ALA 871 N 1.24 0.45 -0.61 2.80 0.00 -0.86 0.12 119.26 122.39 2wxm h ALA 871 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wxm h ALA 871 Cb 0.65 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2wxm h ALA 871 CO 0.05 0.15 0.39 0.82 0.00 0.00 0.00 179.25 180.66 2wxm h ILE 872 N 0.40 1.16 -0.25 0.00 2.04 -1.19 0.18 117.51 119.86 2wxm h ILE 872 Ca 0.10 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2wxm h ILE 872 Cb 0.34 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2wxm h ILE 872 CO 0.01 0.16 -0.24 -0.08 0.00 0.00 0.00 178.15 178.00 2wxm h GLU 873 N 0.84 0.60 -0.82 2.37 4.57 -0.71 -1.99 114.58 119.44 2wxm h GLU 873 Ca 0.22 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2wxm h GLU 873 Cb -0.07 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 2wxm h GLU 873 CO -0.05 0.91 0.54 0.93 -1.18 0.00 0.00 179.01 180.16 2wxm h GLU 874 N 0.31 1.06 -0.51 1.92 4.39 -0.22 -1.80 114.58 119.73 2wxm h GLU 874 Ca 0.04 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.71 2wxm h GLU 874 Cb 0.79 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 2wxm h GLU 874 CO 0.06 0.70 0.29 0.35 -1.16 0.00 0.00 179.01 179.25 2wxm h PHE 875 N 1.09 0.54 -0.03 4.33 3.57 -0.47 -1.61 116.94 124.37 2wxm h PHE 875 Ca 0.30 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 2wxm h PHE 875 Cb -0.10 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 2wxm h PHE 875 CO -0.02 0.30 0.01 1.15 -2.23 0.00 0.00 178.31 177.52 2wxm h THR 876 N 0.58 1.19 0.05 4.41 2.02 -0.84 0.21 112.91 120.53 2wxm h THR 876 Ca 0.21 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2wxm h THR 876 Cb 0.06 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2wxm h THR 876 CO -0.11 0.15 -0.04 -0.07 0.37 0.00 0.00 175.52 175.82 2wxm h LEU 877 N -0.18 -0.10 -0.74 2.58 3.38 -1.33 -2.33 115.31 116.59 2wxm h LEU 877 Ca 0.01 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2wxm h LEU 877 Cb 0.24 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2wxm h LEU 877 CO 0.00 -0.06 -0.28 0.77 0.09 0.00 0.00 178.44 178.96 2wxm h SER 878 N -0.10 0.67 -0.65 -0.43 4.64 -0.69 -1.49 113.55 115.50 2wxm h SER 878 Ca -0.00 -0.25 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2wxm h SER 878 Cb 0.09 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 61.93 2wxm h SER 878 CO -0.00 0.92 0.34 0.00 -0.87 0.00 0.00 176.83 177.21 2wxm h ALA 880 N 1.36 0.35 -0.67 0.00 0.00 -0.82 0.57 119.26 120.06 2wxm h ALA 880 Ca 0.30 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2wxm h ALA 880 Cb 0.24 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2wxm h ALA 880 CO -0.21 -0.04 0.35 0.78 0.00 0.00 0.00 179.25 180.13 2wxm h GLY 881 N 0.28 0.98 1.86 0.00 0.00 -0.84 -1.53 103.07 103.82 2wxm h GLY 881 Ca 0.09 -0.24 -0.21 0.00 0.00 0.00 0.00 47.33 46.97 2wxm h GLY 881 CO -0.01 0.12 -0.98 -0.97 0.00 0.00 0.00 176.54 174.71 2wxm h TYR 882 N 0.64 0.18 -0.37 5.60 0.05 -0.84 -0.31 116.97 121.93 2wxm h TYR 882 Ca 0.31 -0.12 -0.12 0.00 0.05 0.00 0.00 58.73 58.85 2wxm h TYR 882 Cb 0.24 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2wxm h TYR 882 CO -0.09 1.02 -0.26 0.00 -1.05 0.00 0.00 178.16 177.77 2wxm h VAL 884 N 0.65 1.39 -0.41 0.00 2.07 -1.20 -2.15 116.25 116.60 2wxm h VAL 884 Ca 0.08 -1.88 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 2wxm h VAL 884 Cb 0.78 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2wxm h VAL 884 CO 0.06 0.56 -0.07 0.00 0.02 0.00 0.00 177.57 178.14 2wxm h ALA 885 N 0.42 0.56 -0.44 1.67 0.00 -0.89 0.64 119.26 121.22 2wxm h ALA 885 Ca -0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2wxm h ALA 885 Cb 1.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2wxm h ALA 885 CO 0.10 0.40 -0.08 1.79 0.00 0.00 0.00 179.25 181.46 2wxm h THR 886 N 0.58 1.25 0.03 0.00 1.35 -1.18 -1.90 112.91 113.04 2wxm h THR 886 Ca 0.11 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2wxm h THR 886 Cb 0.58 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2wxm h THR 886 CO 0.03 0.38 -0.01 0.22 -0.25 0.00 0.00 175.52 175.90 2wxm h TYR 887 N 0.70 -0.04 -0.48 4.73 3.20 -0.76 -0.91 116.97 123.42 2wxm h TYR 887 Ca 0.12 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2wxm h TYR 887 Cb 0.55 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2wxm h TYR 887 CO 0.03 0.18 0.24 0.28 -1.64 0.00 0.00 178.16 177.25 2wxm h VAL 888 N -0.25 0.95 -0.00 1.81 2.07 -0.86 -2.87 116.25 117.10 2wxm h VAL 888 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2wxm h VAL 888 Cb 0.23 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2wxm h VAL 888 CO 0.01 0.09 -0.07 0.18 0.02 0.00 0.00 177.57 177.79 2wxm n LEU 889 N -4.90 0.26 -3.29 2.57 4.77 -0.72 -4.72 117.00 110.97 2wxm n LEU 889 Ca 0.04 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.92 2wxm n LEU 889 Cb 0.13 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2wxm n LEU 889 CO 0.29 0.05 0.21 0.61 -1.33 0.00 0.00 177.39 177.22 2wxm n GLY 890 N 1.28 -0.42 3.53 -0.72 0.00 -0.60 0.11 105.19 108.36 2wxm n GLY 890 Ca 0.14 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 2wxm n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wxm s ILE 891 N -3.28 4.66 0.04 -0.61 1.01 -0.45 -1.40 121.20 121.18 2wxm s ILE 891 Ca 0.52 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.49 2wxm s ILE 891 Cb -0.23 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 37.93 2wxm s ILE 891 CO 0.64 -0.74 0.05 0.61 0.00 0.00 0.00 174.94 175.49 2wxm n GLY 892 N 5.02 2.38 3.60 6.18 0.00 -1.26 -4.69 105.19 116.43 2wxm n GLY 892 Ca 0.01 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.61 2wxm n GLY 892 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wxm n ASP 893 N -2.56 -5.39 -4.78 1.61 2.03 -1.26 -4.84 116.55 101.36 2wxm n ASP 893 Ca 0.01 -0.58 -0.39 0.00 0.52 0.00 0.00 54.79 54.35 2wxm n ASP 893 Cb 0.05 -4.31 -0.06 0.00 -0.72 0.00 0.00 41.12 36.08 2wxm n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2wxm s ARG 894 N -6.30 4.53 0.28 -0.67 1.81 -1.26 -4.98 118.95 112.36 2wxm s ARG 894 Ca 0.55 1.13 -0.12 0.00 -1.72 0.00 0.00 55.73 55.57 2wxm s ARG 894 Cb -0.26 -3.20 0.05 0.00 -0.45 0.00 0.00 34.95 31.09 2wxm s ARG 894 CO 0.68 0.54 0.64 -2.39 -0.68 0.00 0.00 175.30 174.09 2wxm n HIS 895 N 1.44 -1.92 0.75 -0.53 1.44 -1.26 -5.05 115.22 110.09 2wxm n HIS 895 Ca -0.05 -1.37 0.12 0.00 -2.01 0.00 0.00 57.72 54.42 2wxm n HIS 895 Cb 0.49 0.68 0.49 0.00 0.12 0.00 0.00 29.99 31.77 2wxm n HIS 895 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2wxm n SER 896 N -1.37 0.25 0.19 4.39 3.41 -1.26 -1.84 113.62 117.39 2wxm n SER 896 Ca -0.06 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 2wxm n SER 896 Cb 0.46 -0.60 0.13 0.00 -0.26 0.00 0.00 64.21 63.94 2wxm n SER 896 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wxm h ASP 897 N 0.00 0.00 -0.04 4.04 5.19 -1.96 0.16 116.42 123.80 2wxm h ASP 897 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wxm h ASP 897 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2wxm h ASP 897 CO 0.00 0.08 0.00 -0.46 -3.12 0.00 0.00 179.24 175.74 2wxm n ASN 898 N -3.06 2.18 -4.40 6.45 2.04 -0.77 -4.90 115.26 112.80 2wxm n ASN 898 Ca 0.03 -2.20 -0.33 0.00 -0.44 0.00 0.00 54.58 51.64 2wxm n ASN 898 Cb 0.57 -0.10 -0.14 0.00 -2.53 0.00 0.00 39.78 37.57 2wxm n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2wxm s ILE 899 N -1.35 3.07 0.26 1.53 1.01 -1.13 -0.68 121.20 123.91 2wxm s ILE 899 Ca 0.08 -0.67 0.10 0.00 0.00 0.00 0.00 60.65 60.16 2wxm s ILE 899 Cb 0.06 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 2wxm s ILE 899 CO 0.02 0.54 -0.16 -0.04 0.00 0.00 0.00 174.94 175.31 2wxm s MET 900 N 0.05 1.55 -0.01 2.79 -1.94 0.34 -1.91 119.30 120.17 2wxm s MET 900 Ca -0.05 -1.72 0.01 0.00 -1.71 0.00 0.00 55.69 52.22 2wxm s MET 900 Cb -0.14 -1.47 0.01 0.00 2.01 0.00 0.00 34.83 35.23 2wxm s MET 900 CO 0.04 0.23 -0.03 0.96 -0.01 0.00 0.00 175.02 176.22 2wxm s ILE 901 N -2.74 0.27 0.31 2.53 -5.25 -0.43 -1.03 121.20 114.87 2wxm s ILE 901 Ca 0.27 -0.09 -0.08 0.00 -0.99 0.00 0.00 60.65 59.77 2wxm s ILE 901 Cb -0.02 -0.27 -0.06 0.00 2.95 0.00 0.00 42.46 45.06 2wxm s ILE 901 CO 0.12 0.11 0.62 -0.13 -1.79 0.00 0.00 174.94 173.87 2wxm s ARG 902 N 0.28 3.72 0.32 0.37 0.52 0.14 -1.91 118.95 122.39 2wxm s ARG 902 Ca -0.03 0.22 0.25 0.00 -0.52 0.00 0.00 55.73 55.65 2wxm s ARG 902 Cb -0.06 -2.56 1.12 0.00 0.52 0.00 0.00 34.95 33.97 2wxm s ARG 902 CO -0.01 0.15 1.75 0.93 0.02 0.00 0.00 175.30 178.14 2wxm h GLU 903 N 1.73 0.00 0.00 3.54 5.08 -1.75 0.73 114.58 123.91 2wxm h GLU 903 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2wxm h GLU 903 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wxm h GLU 903 CO 0.66 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.33 2wxm h SER 904 N 0.00 0.00 0.00 1.42 4.64 -1.94 -3.44 113.55 114.24 2wxm h SER 904 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wxm h SER 904 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wxm h SER 904 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2wxm n GLY 905 N 0.08 1.53 3.69 -0.77 0.00 0.25 -4.24 105.19 105.74 2wxm n GLY 905 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wxm n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wxm s GLN 906 N -0.49 4.27 0.01 1.61 -0.21 -1.23 -2.75 119.66 120.87 2wxm s GLN 906 Ca 0.00 2.06 -0.08 0.00 0.02 0.00 0.00 55.36 57.36 2wxm s GLN 906 Cb 0.00 -3.51 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 2wxm s GLN 906 CO 0.00 -0.58 0.29 -1.17 -2.12 0.00 0.00 175.29 171.71 2wxm s LEU 907 N 2.16 4.38 0.25 2.90 0.20 -1.26 0.28 118.68 127.59 2wxm s LEU 907 Ca 0.66 0.62 -0.15 0.00 0.69 0.00 0.00 54.13 55.95 2wxm s LEU 907 Cb -0.34 -2.66 0.00 0.00 -0.43 0.00 0.00 46.19 42.76 2wxm s LEU 907 CO 0.28 0.26 0.53 0.72 -0.29 0.00 0.00 176.35 177.86 2wxm s PHE 908 N -1.27 0.20 0.09 5.38 -0.12 -0.20 -4.70 117.98 117.35 2wxm s PHE 908 Ca 0.27 -0.59 0.07 0.00 -0.05 0.00 0.00 56.93 56.64 2wxm s PHE 908 Cb -0.13 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 2wxm s PHE 908 CO 0.15 -1.04 -0.14 -1.01 -0.05 0.00 0.00 175.22 173.13 2wxm s HIS 909 N -3.98 2.64 0.25 3.49 3.76 -1.26 -0.50 115.29 119.68 2wxm s HIS 909 Ca 0.19 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 54.94 2wxm s HIS 909 Cb -0.02 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.20 2wxm s HIS 909 CO 0.08 0.37 -0.01 0.96 -0.85 0.00 0.00 174.74 175.29 2wxm s ILE 910 N -1.11 1.17 -1.04 0.60 -4.36 0.14 -4.95 121.20 111.64 2wxm s ILE 910 Ca 0.18 -2.05 -0.18 0.00 -0.26 0.00 0.00 60.65 58.35 2wxm s ILE 910 Cb -0.11 -2.40 0.01 0.00 1.25 0.00 0.00 42.46 41.22 2wxm s ILE 910 CO 0.10 -0.30 0.71 0.47 0.24 0.00 0.00 174.94 176.17 2wxm n ASP 911 N -0.47 -5.15 -4.67 4.36 8.00 -1.26 -4.75 116.55 112.60 2wxm n ASP 911 Ca -0.05 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.05 2wxm n ASP 911 Cb 0.64 -2.70 -0.05 0.00 -0.02 0.00 0.00 41.12 38.99 2wxm n ASP 911 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wxm s PHE 912 N -3.32 3.42 0.00 1.24 0.08 -1.26 -4.88 117.98 113.26 2wxm s PHE 912 Ca 0.32 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.52 2wxm s PHE 912 Cb -0.14 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2wxm s PHE 912 CO 0.89 -0.19 0.43 0.41 -0.10 0.00 0.00 175.22 176.66 2wxm n GLY 913 N 3.54 -0.20 3.06 4.36 0.00 -1.26 -3.84 105.19 110.85 2wxm n GLY 913 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2wxm n GLY 913 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wxm s HIS 914 N -0.16 1.59 0.32 1.61 3.76 -1.26 -5.03 115.29 116.12 2wxm s HIS 914 Ca 0.00 -0.58 -0.18 0.00 -0.15 0.00 0.00 55.06 54.16 2wxm s HIS 914 Cb 0.00 -1.14 0.03 0.00 1.11 0.00 0.00 32.58 32.59 2wxm s HIS 914 CO 0.00 -0.27 0.72 -0.59 -0.85 0.00 0.00 174.74 173.75 2wxm s PHE 915 N 0.53 0.01 -1.68 1.40 -0.00 -1.26 -4.09 117.98 112.90 2wxm s PHE 915 Ca -0.13 -0.55 -0.19 0.00 -0.00 0.00 0.00 56.93 56.06 2wxm s PHE 915 Cb -0.15 0.70 0.16 0.00 -0.00 0.00 0.00 43.02 43.73 2wxm s PHE 915 CO 0.04 -1.35 0.74 1.28 -0.00 0.00 0.00 175.22 175.93 2wxm n LEU 916 N -0.49 -1.57 0.00 -1.99 4.77 0.29 -1.44 117.00 116.58 2wxm n LEU 916 Ca -0.05 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 2wxm n LEU 916 Cb 0.60 -2.02 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 2wxm n LEU 916 CO 0.21 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2wxm n GLY 917 N -1.32 2.68 3.55 -0.72 0.00 -0.49 -4.91 105.19 103.98 2wxm n GLY 917 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2wxm n GLY 917 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxm n ASN 918 N 0.00 1.46 0.18 1.61 5.03 -0.52 -4.55 115.26 118.46 2wxm n ASN 918 Ca 0.00 -2.52 -0.07 0.00 0.87 0.00 0.00 54.58 52.86 2wxm n ASN 918 Cb 0.00 -1.47 -0.04 0.00 -1.02 0.00 0.00 39.78 37.26 2wxm n ASN 918 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 2wxm h PHE 919 N 11.05 -0.45 0.00 3.10 -0.00 -1.90 -3.40 116.94 125.34 2wxm h PHE 919 Ca 0.09 -0.01 -0.39 0.00 -0.00 0.00 0.00 57.97 57.65 2wxm h PHE 919 Cb 0.92 0.15 -0.10 0.00 -0.00 0.00 0.00 35.95 36.92 2wxm h PHE 919 CO 1.03 -0.28 1.73 -2.13 -0.00 0.00 0.00 178.31 178.66 2wxm n ARG 929 N -3.96 0.00 -2.92 6.09 3.00 -1.26 -5.20 116.66 112.42 2wxm n ARG 929 Ca -0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.38 2wxm n ARG 929 Cb 0.19 -1.14 -0.04 0.00 0.00 0.00 0.00 32.46 31.47 2wxm n ARG 929 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2wxm s VAL 930 N 4.13 4.93 0.75 5.15 -7.23 -1.26 -5.05 120.40 121.82 2wxm s VAL 930 Ca 1.22 1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 62.91 2wxm s VAL 930 Cb -0.96 -4.13 0.04 0.00 0.56 0.00 0.00 36.38 31.89 2wxm s VAL 930 CO 0.48 0.11 1.08 -2.16 -0.31 0.00 0.00 175.10 174.31 2wxm s PRO 931 N 1.59 2.47 0.43 4.82 0.04 -1.26 -4.96 135.00 138.13 2wxm s PRO 931 Ca 0.40 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 2wxm s PRO 931 Cb -0.17 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2wxm s PRO 931 CO 0.16 -1.47 1.43 0.12 0.04 0.00 0.00 177.00 177.28 2wxm s PHE 932 N -2.93 2.53 -0.20 0.56 5.36 -1.26 -4.93 117.98 117.10 2wxm s PHE 932 Ca 0.60 1.25 0.01 0.00 -0.96 0.00 0.00 56.93 57.83 2wxm s PHE 932 Cb -0.16 -3.93 0.03 0.00 -0.34 0.00 0.00 43.02 38.61 2wxm s PHE 932 CO 0.55 -2.89 -0.17 0.42 -1.46 0.00 0.00 175.22 171.68 2wxm s ILE 933 N -1.18 2.18 -0.17 3.12 -1.09 -1.26 -4.56 121.20 118.23 2wxm s ILE 933 Ca 0.58 -1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 57.93 2wxm s ILE 933 Cb -0.44 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2wxm s ILE 933 CO 0.58 0.42 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.88 2wxm s LEU 934 N 1.27 2.96 -0.22 2.97 1.43 -1.26 -4.91 118.68 120.91 2wxm s LEU 934 Ca 0.02 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 2wxm s LEU 934 Cb -0.14 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2wxm s LEU 934 CO -0.11 0.11 0.14 -0.89 0.23 0.00 0.00 176.35 175.83 2wxm s THR 935 N 0.71 5.33 0.30 5.49 2.01 -1.26 -4.38 115.64 123.84 2wxm s THR 935 Ca -0.03 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2wxm s THR 935 Cb -0.15 -3.46 0.30 0.00 0.01 0.00 0.00 72.50 69.20 2wxm s THR 935 CO 0.02 0.39 1.68 0.22 -0.69 0.00 0.00 174.62 176.24 2wxm h TYR 936 N 7.12 0.62 0.00 4.92 3.20 -1.96 0.95 116.97 131.82 2wxm h TYR 936 Ca -0.39 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.48 2wxm h TYR 936 Cb 1.16 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2wxm h TYR 936 CO 0.63 -0.10 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.41 2wxm h ASP 937 N 0.35 0.00 0.19 -2.11 5.19 -1.95 0.29 116.42 118.38 2wxm h ASP 937 Ca 0.58 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.70 2wxm h ASP 937 Cb 1.16 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.69 2wxm h ASP 937 CO -0.57 0.19 -1.38 -0.26 -3.12 0.00 0.00 179.24 174.11 2wxm h PHE 938 N 0.00 0.73 -0.87 4.55 0.04 -1.30 -2.94 116.94 117.15 2wxm h PHE 938 Ca -0.00 -0.53 0.08 0.00 2.80 0.00 0.00 57.97 60.32 2wxm h PHE 938 Cb 0.66 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.72 2wxm h PHE 938 CO 0.00 1.53 0.53 0.28 -0.60 0.00 0.00 178.31 180.05 2wxm h VAL 939 N -0.06 0.97 -0.79 -0.55 2.07 -0.59 0.24 116.25 117.53 2wxm h VAL 939 Ca -0.26 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2wxm h VAL 939 Cb 1.96 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2wxm h VAL 939 CO 0.19 0.17 0.32 -0.74 0.02 0.00 0.00 177.57 177.52 2wxm h HIS 940 N 0.91 1.20 -0.27 1.57 -0.00 -0.49 -0.92 115.15 117.15 2wxm h HIS 940 Ca 0.41 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.60 2wxm h HIS 940 Cb 0.30 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2wxm h HIS 940 CO -0.04 0.91 -0.22 0.28 -0.00 0.00 0.00 177.93 178.86 2wxm h VAL 941 N 1.15 1.26 -0.41 5.26 2.07 -1.13 -1.88 116.25 122.56 2wxm h VAL 941 Ca 0.26 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 2wxm h VAL 941 Cb 0.21 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2wxm h VAL 941 CO -0.02 0.39 -0.08 0.40 0.02 0.00 0.00 177.57 178.28 2wxm h ILE 942 N 0.45 1.24 -0.31 4.57 2.04 0.22 -2.89 117.51 122.83 2wxm h ILE 942 Ca 0.07 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2wxm h ILE 942 Cb 0.63 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2wxm h ILE 942 CO 0.04 0.37 0.03 0.00 0.00 0.00 0.00 178.15 178.59 2wxm n GLN 943 N -4.19 2.89 -3.62 2.37 6.02 -0.43 -4.68 117.38 115.75 2wxm n GLN 943 Ca 0.02 -1.61 -0.27 0.00 -0.01 0.00 0.00 57.00 55.12 2wxm n GLN 943 Cb 0.33 -1.87 0.01 0.00 1.02 0.00 0.00 30.24 29.73 2wxm n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wxm n GLN 944 N 0.26 -4.35 -0.88 -1.09 6.02 -1.09 -1.09 117.38 115.16 2wxm n GLN 944 Ca 0.16 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 2wxm n GLN 944 Cb 0.77 -5.36 0.00 0.00 1.02 0.00 0.00 30.24 26.67 2wxm n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wxm n GLY 945 N -1.43 0.83 3.87 1.08 0.00 -0.72 -5.02 105.19 103.80 2wxm n GLY 945 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2wxm n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxm s LYS 946 N -0.12 3.39 0.28 1.61 1.02 -0.25 -4.98 119.74 120.70 2wxm s LYS 946 Ca 0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.75 2wxm s LYS 946 Cb 0.00 -3.11 0.49 0.00 -0.52 0.00 0.00 37.83 34.69 2wxm s LYS 946 CO 0.00 0.73 1.87 1.15 -0.92 0.00 0.00 175.35 178.18 2wxm h THR 947 N 3.54 1.02 -3.33 2.17 2.02 -1.95 -3.41 112.91 112.96 2wxm h THR 947 Ca -0.52 -0.37 -0.44 0.00 0.77 0.00 0.00 66.41 65.85 2wxm h THR 947 Cb 1.21 -0.16 -0.36 0.00 -1.74 0.00 0.00 68.15 67.10 2wxm h THR 947 CO 0.62 0.20 -0.78 0.20 0.37 0.00 0.00 175.52 176.13 2wxm s ASN 948 N -5.84 1.43 -0.49 4.18 0.01 -1.26 -5.05 114.94 107.92 2wxm s ASN 948 Ca -0.12 -0.14 0.05 0.00 -0.71 0.00 0.00 52.86 51.93 2wxm s ASN 948 Cb 0.21 -0.52 0.20 0.00 0.41 0.00 0.00 41.25 41.55 2wxm s ASN 948 CO 0.81 -0.12 0.81 -3.20 -1.51 0.00 0.00 177.10 173.90 2wxm n ASN 949 N 4.63 -3.07 0.14 -1.22 2.85 -1.26 -5.01 115.26 112.31 2wxm n ASN 949 Ca -0.16 -2.67 0.13 0.00 -0.11 0.00 0.00 54.58 51.77 2wxm n ASN 949 Cb 0.50 1.60 0.31 0.00 1.24 0.00 0.00 39.78 43.43 2wxm n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2wxm h SER 950 N 4.72 0.00 0.34 1.20 4.64 -1.97 -1.84 113.55 120.65 2wxm h SER 950 Ca 0.02 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 2wxm h SER 950 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2wxm h SER 950 CO 0.03 0.01 -0.16 -0.08 -0.87 0.00 0.00 176.83 175.75 2wxm h GLU 951 N 0.00 -0.44 -0.36 4.77 4.81 -1.99 -0.45 114.58 120.92 2wxm h GLU 951 Ca 0.00 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2wxm h GLU 951 Cb 0.83 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2wxm h GLU 951 CO 0.00 -0.25 -0.13 0.87 -0.73 0.00 0.00 179.01 178.77 2wxm h LYS 952 N -0.53 0.73 -0.17 1.92 1.79 -1.84 -2.64 116.57 115.83 2wxm h LYS 952 Ca -0.05 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 58.04 2wxm h LYS 952 Cb 0.39 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2wxm h LYS 952 CO 0.08 0.90 -0.25 0.35 -1.08 0.00 0.00 179.45 179.46 2wxm h PHE 953 N 0.52 0.34 0.03 -1.35 3.57 -1.33 -2.18 116.94 116.54 2wxm h PHE 953 Ca 0.09 -0.06 -0.24 0.00 3.53 0.00 0.00 57.97 61.29 2wxm h PHE 953 Cb 0.66 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2wxm h PHE 953 CO 0.05 0.54 -1.14 0.93 -2.23 0.00 0.00 178.31 176.46 2wxm h GLU 954 N 0.28 0.06 -0.72 1.11 4.39 -1.05 -1.61 114.58 117.04 2wxm h GLU 954 Ca 0.04 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.71 2wxm h GLU 954 Cb 0.59 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 2wxm h GLU 954 CO 0.04 1.00 0.39 0.00 -1.16 0.00 0.00 179.01 179.28 2wxm h ARG 955 N 0.02 0.67 -0.53 2.33 3.08 -1.17 0.10 114.38 118.88 2wxm h ARG 955 Ca -0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2wxm h ARG 955 Cb 1.84 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.72 2wxm h ARG 955 CO 0.14 0.44 0.32 0.35 -1.07 0.00 0.00 179.97 180.15 2wxm h PHE 956 N 0.69 0.70 -0.82 3.04 3.57 -1.11 -0.56 116.94 122.44 2wxm h PHE 956 Ca 0.34 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.90 2wxm h PHE 956 Cb 0.29 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2wxm h PHE 956 CO -0.08 0.48 0.50 -0.09 -2.23 0.00 0.00 178.31 176.89 2wxm h ARG 957 N 0.71 0.89 -0.52 1.11 2.43 -0.54 -1.96 114.38 116.49 2wxm h ARG 957 Ca 0.19 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 2wxm h ARG 957 Cb -0.01 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.26 2wxm h ARG 957 CO -0.04 0.59 0.05 0.78 -1.51 0.00 0.00 179.97 179.84 2wxm h GLY 958 N 0.91 0.58 0.94 2.80 0.00 0.01 -0.71 103.07 107.60 2wxm h GLY 958 Ca 0.36 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.73 2wxm h GLY 958 CO -0.18 -0.12 0.13 -0.97 0.00 0.00 0.00 176.54 175.41 2wxm h TYR 959 N 0.17 0.25 -0.44 5.60 0.05 -0.41 -0.14 116.97 122.05 2wxm h TYR 959 Ca 0.26 0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.06 2wxm h TYR 959 Cb 0.39 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 2wxm h TYR 959 CO -0.28 0.15 0.29 0.00 -1.05 0.00 0.00 178.16 177.26 2wxm h GLU 961 N 0.59 0.65 -0.56 0.00 5.08 -0.75 0.37 114.58 119.97 2wxm h GLU 961 Ca 0.16 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2wxm h GLU 961 Cb -0.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2wxm h GLU 961 CO -0.04 0.57 0.35 0.00 -1.00 0.00 0.00 179.01 178.90 2wxm h ARG 962 N 0.58 0.69 -0.69 2.33 3.08 -0.91 -1.04 114.38 118.42 2wxm h ARG 962 Ca 0.15 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2wxm h ARG 962 Cb 0.15 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2wxm h ARG 962 CO -0.02 0.45 0.22 0.00 -1.07 0.00 0.00 179.97 179.56 2wxm h ALA 963 N 1.23 0.90 -0.32 0.04 0.00 -0.72 -1.22 119.26 119.17 2wxm h ALA 963 Ca 0.22 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2wxm h ALA 963 Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2wxm h ALA 963 CO -0.08 0.57 -0.42 -0.92 0.00 0.00 0.00 179.25 178.41 2wxm h TYR 964 N 1.00 1.04 -0.29 0.00 3.20 -0.84 -2.75 116.97 118.33 2wxm h TYR 964 Ca 0.22 -0.33 -0.10 0.00 3.14 0.00 0.00 58.73 61.65 2wxm h TYR 964 Cb 0.30 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2wxm h TYR 964 CO 0.02 1.14 -0.26 1.79 -1.64 0.00 0.00 178.16 179.21 2wxm h THR 965 N 0.63 1.27 -0.48 1.81 1.35 -1.01 -2.60 112.91 113.89 2wxm h THR 965 Ca 0.04 -1.32 -0.05 0.00 -0.55 0.00 0.00 66.41 64.53 2wxm h THR 965 Cb 1.01 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 2wxm h THR 965 CO 0.10 0.42 0.11 0.40 -0.25 0.00 0.00 175.52 176.30 2wxm h ILE 966 N 0.49 1.24 -0.83 6.82 2.04 -1.15 -2.93 117.51 123.19 2wxm h ILE 966 Ca 0.07 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2wxm h ILE 966 Cb 0.71 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2wxm h ILE 966 CO 0.05 0.30 0.41 -0.07 0.00 0.00 0.00 178.15 178.85 2wxm h LEU 967 N 0.65 1.07 -1.09 1.44 3.38 -1.35 -1.82 115.31 117.59 2wxm h LEU 967 Ca 0.15 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2wxm h LEU 967 Cb 0.34 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 2wxm h LEU 967 CO 0.00 0.89 0.61 0.03 0.09 0.00 0.00 178.44 180.07 2wxm h ARG 968 N 1.17 0.97 0.00 1.13 3.08 -1.29 -0.21 114.38 119.22 2wxm h ARG 968 Ca 0.29 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2wxm h ARG 968 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2wxm h ARG 968 CO -0.04 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.50 2wxm h ARG 969 N 1.00 0.00 -0.24 0.04 3.08 -1.16 -1.55 114.38 115.55 2wxm h ARG 969 Ca 0.45 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.44 2wxm h ARG 969 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2wxm h ARG 969 CO -0.20 0.00 -0.04 0.72 -1.07 0.00 0.00 179.97 179.37 2wxm n HIS 970 N -2.70 0.79 -0.37 3.04 8.25 -0.16 -4.78 115.22 119.30 2wxm n HIS 970 Ca -0.00 -1.16 0.04 0.00 -0.26 0.00 0.00 57.72 56.34 2wxm n HIS 970 Cb 0.18 -0.34 0.19 0.00 1.12 0.00 0.00 29.99 31.14 2wxm n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2wxm h GLY 971 N 1.20 1.55 1.86 -1.41 0.00 -0.54 0.20 103.07 105.93 2wxm h GLY 971 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2wxm h GLY 971 CO 0.23 0.29 0.06 1.41 0.00 0.00 0.00 176.54 178.53 2wxm h LEU 972 N 1.13 0.17 -0.10 3.11 3.38 -1.86 -0.70 115.31 120.44 2wxm h LEU 972 Ca 0.45 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 2wxm h LEU 972 Cb 0.25 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wxm h LEU 972 CO -0.20 0.16 -0.00 0.25 0.09 0.00 0.00 178.44 178.74 2wxm h LEU 973 N 0.19 0.18 -0.42 1.67 5.85 -0.98 -0.75 115.31 121.06 2wxm h LEU 973 Ca 0.05 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2wxm h LEU 973 Cb 0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2wxm h LEU 973 CO -0.01 0.45 0.27 -0.26 -0.34 0.00 0.00 178.44 178.56 2wxm h PHE 974 N -0.11 0.52 -0.37 1.25 0.04 -1.25 -0.86 116.94 116.17 2wxm h PHE 974 Ca 0.03 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.89 2wxm h PHE 974 Cb 0.36 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 2wxm h PHE 974 CO 0.04 0.33 -0.11 -0.07 -0.60 0.00 0.00 178.31 177.89 2wxm h LEU 975 N 0.56 -0.40 -0.75 1.54 3.38 -1.10 -0.20 115.31 118.34 2wxm h LEU 975 Ca 0.15 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2wxm h LEU 975 Cb -0.06 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2wxm h LEU 975 CO -0.03 -0.14 0.26 0.45 0.09 0.00 0.00 178.44 179.06 2wxm h HIS 976 N -0.03 1.17 -0.44 1.13 3.86 -0.66 -1.10 115.15 119.08 2wxm h HIS 976 Ca 0.18 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 2wxm h HIS 976 Cb 0.30 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 2wxm h HIS 976 CO -0.35 0.91 -0.03 -0.07 0.86 0.00 0.00 177.93 179.25 2wxm h LEU 977 N 1.09 0.80 -0.74 2.43 3.38 -0.81 -2.62 115.31 118.84 2wxm h LEU 977 Ca 0.24 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2wxm h LEU 977 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2wxm h LEU 977 CO -0.01 0.93 -0.13 -0.26 0.09 0.00 0.00 178.44 179.05 2wxm h PHE 978 N 0.64 0.91 -0.63 1.13 -1.00 -0.81 -2.49 116.94 114.68 2wxm h PHE 978 Ca 0.12 -0.18 0.12 0.00 2.81 0.00 0.00 57.97 60.85 2wxm h PHE 978 Cb 0.54 -0.23 -0.09 0.00 3.61 0.00 0.00 35.95 39.78 2wxm h PHE 978 CO 0.04 0.90 0.14 0.00 -1.61 0.00 0.00 178.31 177.78 2wxm h ALA 979 N 1.11 0.77 -0.11 2.45 0.00 -1.03 -0.79 119.26 121.65 2wxm h ALA 979 Ca 0.12 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2wxm h ALA 979 Cb 0.64 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wxm h ALA 979 CO 0.04 -0.31 -0.43 -0.07 0.00 0.00 0.00 179.25 178.49 2wxm h LEU 980 N 0.27 0.27 -2.09 0.00 3.38 -1.19 -2.87 115.31 113.08 2wxm h LEU 980 Ca 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2wxm h LEU 980 Cb 0.52 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2wxm h LEU 980 CO -0.43 0.67 -0.07 0.24 0.09 0.00 0.00 178.44 178.94 2wxm h MET 981 N 0.22 0.00 0.00 1.13 2.86 -0.72 -2.11 114.93 116.31 2wxm h MET 981 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2wxm h MET 981 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2wxm h MET 981 CO 0.07 0.07 0.18 0.00 1.06 0.00 0.00 176.91 178.29 2wxm h ARG 982 N 0.00 0.00 0.00 1.72 3.08 -1.21 0.39 114.38 118.35 2wxm h ARG 982 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxm h ARG 982 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2wxm h ARG 982 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 2wxm h ALA 983 N 1.59 1.00 0.00 0.04 0.00 -1.59 -3.31 119.26 116.99 2wxm h ALA 983 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wxm h ALA 983 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wxm h ALA 983 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 2wxm h ALA 984 N 2.06 0.98 -0.04 0.00 0.00 -0.44 -3.48 119.26 118.34 2wxm h ALA 984 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wxm h ALA 984 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2wxm h ALA 984 CO 0.00 0.15 -0.02 0.41 0.00 0.00 0.00 179.25 179.79 2wxm n GLY 985 N 0.44 0.44 3.66 0.00 0.00 -1.25 -5.03 105.19 103.45 2wxm n GLY 985 Ca 0.01 -0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.42 2wxm n GLY 985 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wxm n LEU 986 N -0.09 2.86 0.25 0.99 4.32 -1.26 -4.88 117.00 119.19 2wxm n LEU 986 Ca -0.01 1.07 0.17 0.00 -0.02 0.00 0.00 56.01 57.22 2wxm n LEU 986 Cb 0.13 -1.36 0.85 0.00 -1.62 0.00 0.00 43.42 41.42 2wxm n LEU 986 CO 0.01 -0.39 1.01 -0.65 -1.22 0.00 0.00 177.39 176.15 2wxm h PRO 987 N 6.38 0.00 -0.54 3.23 0.11 -2.02 0.94 132.00 140.10 2wxm h PRO 987 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wxm h PRO 987 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wxm h PRO 987 CO 0.88 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 2wxm n GLU 988 N -2.76 2.53 -3.46 1.05 1.02 -1.26 -4.49 120.64 113.27 2wxm n GLU 988 Ca -0.01 -2.35 -0.27 0.00 -0.02 0.00 0.00 57.16 54.51 2wxm n GLU 988 Cb 0.14 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 2wxm n GLU 988 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wxm n LEU 989 N 1.47 0.71 -0.00 -4.62 7.94 0.33 -4.88 117.00 117.95 2wxm n LEU 989 Ca 0.21 -4.69 0.00 0.00 -1.11 0.00 0.00 56.01 50.42 2wxm n LEU 989 Cb 0.59 0.19 -0.00 0.00 0.53 0.00 0.00 43.42 44.73 2wxm n LEU 989 CO 0.16 1.89 -0.50 -1.20 -1.11 0.00 0.00 177.39 176.63 2wxm n SER 990 N 2.23 4.94 -1.08 1.96 7.64 -1.25 -4.44 113.62 123.61 2wxm n SER 990 Ca 0.26 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.14 2wxm n SER 990 Cb 0.46 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 2wxm n SER 990 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wxm h SER 992 N 0.08 0.46 -0.72 0.00 0.02 -2.00 -3.03 113.55 108.37 2wxm h SER 992 Ca -0.01 -0.28 0.17 0.00 -0.84 0.00 0.00 61.79 60.83 2wxm h SER 992 Cb 0.05 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 2wxm h SER 992 CO 0.02 0.99 0.50 0.11 -1.14 0.00 0.00 176.83 177.31 2wxm h LYS 993 N 0.29 0.21 -0.11 3.45 1.79 -1.97 0.20 116.57 120.42 2wxm h LYS 993 Ca -0.02 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 2wxm h LYS 993 Cb 1.21 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2wxm h LYS 993 CO 0.11 0.14 -0.22 -0.44 -1.08 0.00 0.00 179.45 177.96 2wxm h ASP 994 N 0.21 0.37 -0.36 0.86 3.32 -1.89 -2.23 116.42 116.71 2wxm h ASP 994 Ca 0.35 -0.56 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 2wxm h ASP 994 Cb 1.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2wxm h ASP 994 CO -0.07 0.87 0.09 0.40 -1.72 0.00 0.00 179.24 178.81 2wxm h ILE 995 N -0.11 1.20 0.00 0.35 1.08 -1.46 -1.45 117.51 117.12 2wxm h ILE 995 Ca 0.00 -0.73 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 2wxm h ILE 995 Cb 0.81 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2wxm h ILE 995 CO 0.05 0.26 -0.10 -0.61 -0.69 0.00 0.00 178.15 177.06 2wxm h GLN 996 N 0.64 0.00 0.07 2.37 5.75 -0.54 -1.96 115.11 121.44 2wxm h GLN 996 Ca 0.14 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2wxm h GLN 996 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 2wxm h GLN 996 CO -0.00 0.10 -0.03 -0.92 -2.65 0.00 0.00 178.83 175.33 2wxm h TYR 997 N 0.00 -0.09 -0.79 3.99 3.20 -0.62 -1.14 116.97 121.52 2wxm h TYR 997 Ca -0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2wxm h TYR 997 Cb 0.19 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 2wxm h TYR 997 CO 0.00 0.05 0.47 -0.07 -1.64 0.00 0.00 178.16 176.98 2wxm h LEU 998 N -0.21 0.73 -0.73 2.82 3.38 -1.37 -0.51 115.31 119.43 2wxm h LEU 998 Ca -0.01 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2wxm h LEU 998 Cb 0.18 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2wxm h LEU 998 CO 0.02 0.47 0.35 0.11 0.09 0.00 0.00 178.44 179.47 2wxm h LYS 999 N 0.86 0.56 0.02 1.13 1.57 -1.08 -1.47 116.57 118.17 2wxm h LYS 999 Ca 0.35 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.84 2wxm h LYS 999 Cb 0.18 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.38 2wxm h LYS 999 CO -0.18 0.37 -1.04 -0.44 -0.57 0.00 0.00 179.45 177.59 2wxm h ASP 1000N 0.58 0.74 -0.38 0.86 3.32 -0.60 -2.74 116.42 118.18 2wxm h ASP 1000Ca 0.37 -0.61 -0.14 0.00 0.02 0.00 0.00 57.03 56.67 2wxm h ASP 1000Cb 0.43 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2wxm h ASP 1000CO -0.30 1.42 -0.30 0.77 -1.72 0.00 0.00 179.24 179.11 2wxm h SER 1001N 0.30 0.92 -0.15 6.45 4.64 -0.87 -2.80 113.55 122.04 2wxm h SER 1001Ca -0.12 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2wxm h SER 1001Cb 1.70 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2wxm h SER 1001CO 0.19 1.17 0.00 0.18 -0.87 0.00 0.00 176.83 177.51 2wxm n LEU 1002N -4.15 1.09 -3.80 5.97 4.77 -0.57 -4.88 117.00 115.42 2wxm n LEU 1002Ca -0.02 -0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 55.22 2wxm n LEU 1002Cb 0.49 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2wxm n LEU 1002CO 0.47 0.25 -0.25 0.00 -1.33 0.00 0.00 177.39 176.52 2wxm n ALA 1003N -0.00 -1.81 0.33 -1.18 0.00 -1.05 -4.76 120.51 112.04 2wxm n ALA 1003Ca 0.12 -0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.38 2wxm n ALA 1003Cb 0.21 -0.92 0.57 0.00 0.00 0.00 0.00 19.45 19.31 2wxm n ALA 1003CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wxm h LEU 1004N -0.83 0.00 -0.46 0.00 -0.00 -1.83 -2.96 115.31 109.23 2wxm h LEU 1004Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2wxm h LEU 1004Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2wxm h LEU 1004CO 0.43 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.48 2wxm n GLY 1005N 0.16 -0.43 3.81 0.83 0.00 -1.26 -4.89 105.19 103.41 2wxm n GLY 1005Ca 0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2wxm n GLY 1005CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxm s LYS 1006N -1.85 2.22 0.45 1.61 1.02 -1.12 -5.13 119.74 116.94 2wxm s LYS 1006Ca 0.13 -2.29 -0.15 0.00 0.02 0.00 0.00 55.97 53.68 2wxm s LYS 1006Cb 0.06 -1.71 -0.08 0.00 -0.52 0.00 0.00 37.83 35.58 2wxm s LYS 1006CO 0.09 -0.45 0.89 0.95 -0.92 0.00 0.00 175.35 175.91 2wxm s THR 1007N -2.85 4.61 0.37 2.17 -4.23 -1.26 -4.92 115.64 109.52 2wxm s THR 1007Ca 0.14 1.04 0.16 0.00 -1.18 0.00 0.00 61.69 61.85 2wxm s THR 1007Cb 0.00 -3.70 0.37 0.00 1.34 0.00 0.00 72.50 70.51 2wxm s THR 1007CO 0.08 -0.55 1.74 -0.08 -0.54 0.00 0.00 174.62 175.28 2wxm h GLU 1008N 1.27 0.42 -0.53 3.99 4.81 -1.98 -0.29 114.58 122.26 2wxm h GLU 1008Ca -0.47 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 2wxm h GLU 1008Cb 1.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2wxm h GLU 1008CO 0.62 0.28 0.10 1.49 -0.73 0.00 0.00 179.01 180.77 2wxm h GLU 1009N 0.43 0.87 -0.07 1.92 4.57 -2.00 -2.18 114.58 118.13 2wxm h GLU 1009Ca 0.64 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.57 2wxm h GLU 1009Cb 1.50 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.99 2wxm h GLU 1009CO -0.39 0.85 -0.03 0.93 -1.18 0.00 0.00 179.01 179.19 2wxm h GLU 1010N 0.76 0.13 -0.59 1.92 5.08 -1.46 -2.76 114.58 117.67 2wxm h GLU 1010Ca 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2wxm h GLU 1010Cb 0.39 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2wxm h GLU 1010CO 0.01 0.49 0.34 0.00 -1.00 0.00 0.00 179.01 178.85 2wxm h ALA 1011N 0.64 1.48 -0.54 3.43 0.00 -1.30 0.11 119.26 123.08 2wxm h ALA 1011Ca 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2wxm h ALA 1011Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wxm h ALA 1011CO 0.01 0.44 -0.07 1.25 0.00 0.00 0.00 179.25 180.88 2wxm h LEU 1012N 0.82 0.97 -0.28 0.00 5.85 -1.34 0.34 115.31 121.66 2wxm h LEU 1012Ca 0.21 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2wxm h LEU 1012Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2wxm h LEU 1012CO -0.04 1.06 0.10 0.50 -0.34 0.00 0.00 178.44 179.72 2wxm h LYS 1013N 0.88 0.43 0.33 1.25 1.63 -0.97 0.20 116.57 120.33 2wxm h LYS 1013Ca 0.15 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2wxm h LYS 1013Cb 0.61 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 2wxm h LYS 1013CO 0.04 0.47 -0.47 1.25 -3.45 0.00 0.00 179.45 177.28 2wxm h HIS 1014N 0.30 -1.34 -0.86 1.91 2.76 -0.60 -2.27 115.15 115.06 2wxm h HIS 1014Ca 0.09 0.02 0.22 0.00 -2.20 0.00 0.00 60.37 58.51 2wxm h HIS 1014Cb 0.21 0.54 -0.14 0.00 1.55 0.00 0.00 27.41 29.57 2wxm h HIS 1014CO -0.00 -0.59 0.23 0.35 -1.30 0.00 0.00 177.93 176.61 2wxm h PHE 1015N -0.84 0.34 -0.82 5.26 3.57 -0.13 -2.00 116.94 122.33 2wxm h PHE 1015Ca -0.04 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2wxm h PHE 1015Cb 0.76 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2wxm h PHE 1015CO -0.32 -0.19 0.39 0.00 -2.23 0.00 0.00 178.31 175.96 2wxm h ARG 1016N 0.22 1.18 -0.27 1.11 3.08 -0.12 0.10 114.38 119.68 2wxm h ARG 1016Ca 0.53 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 2wxm h ARG 1016Cb 1.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2wxm h ARG 1016CO -0.64 0.90 0.14 0.28 -1.07 0.00 0.00 179.97 179.59 2wxm h VAL 1017N 1.16 1.13 -0.16 2.04 2.07 -0.81 0.15 116.25 121.84 2wxm h VAL 1017Ca 0.28 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2wxm h VAL 1017Cb 0.12 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2wxm h VAL 1017CO -0.04 0.13 0.09 0.11 0.02 0.00 0.00 177.57 177.89 2wxm h LYS 1018N 0.31 0.21 0.08 1.57 1.79 -1.14 0.59 116.57 119.99 2wxm h LYS 1018Ca 0.09 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2wxm h LYS 1018Cb 0.09 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2wxm h LYS 1018CO -0.01 0.20 -0.12 0.35 -1.08 0.00 0.00 179.45 178.78 2wxm h PHE 1019N 0.17 -0.32 -0.45 -1.35 3.57 -0.57 0.42 116.94 118.41 2wxm h PHE 1019Ca 0.06 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.65 2wxm h PHE 1019Cb 0.05 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.83 2wxm h PHE 1019CO -0.05 -0.19 -0.12 -0.91 -2.23 0.00 0.00 178.31 174.82 2wxm h ASN 1020N -0.25 -0.43 -0.70 0.41 2.35 -0.48 -0.76 115.58 115.72 2wxm h ASN 1020Ca 0.02 0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2wxm h ASN 1020Cb 0.26 0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 2wxm h ASN 1020CO -0.06 -0.15 0.46 -0.33 -1.65 0.00 0.00 177.43 175.69 2wxm h GLU 1021N -0.00 0.76 0.19 0.81 5.08 0.17 -1.41 114.58 120.17 2wxm h GLU 1021Ca 0.22 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2wxm h GLU 1021Cb 0.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wxm h GLU 1021CO -0.47 0.50 -0.09 0.00 -1.00 0.00 0.00 179.01 177.95 2wxm h ALA 1022N 1.61 -0.25 -0.75 3.43 0.00 0.68 -2.41 119.26 121.57 2wxm h ALA 1022Ca 0.29 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.26 2wxm h ALA 1022Cb 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2wxm h ALA 1022CO -0.09 -0.60 0.27 1.25 0.00 0.00 0.00 179.25 180.08 2wxm h LEU 1023N -0.33 0.21 -0.52 0.00 5.85 -0.12 -0.96 115.31 119.44 2wxm h LEU 1023Ca -0.03 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2wxm h LEU 1023Cb 0.26 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2wxm h LEU 1023CO 0.04 0.07 0.33 0.03 -0.34 0.00 0.00 178.44 178.57 2wxm h ARG 1024N 0.40 0.65 -0.74 1.25 3.08 -1.29 -1.57 114.38 116.15 2wxm h ARG 1024Ca 0.41 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.46 2wxm h ARG 1024Cb 0.65 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 2wxm h ARG 1024CO -0.43 0.43 0.46 1.49 -1.07 0.00 0.00 179.97 180.85 2wxm h GLU 1025N 0.66 0.87 -6.25 0.04 4.57 -0.83 -3.41 114.58 110.25 2wxm h GLU 1025Ca 0.20 -0.05 -0.68 0.00 -1.18 0.00 0.00 59.36 57.65 2wxm h GLU 1025Cb -0.03 -0.20 0.03 0.00 -0.16 0.00 0.00 28.75 28.39 2wxm h GLU 1025CO -0.07 0.58 0.86 0.45 -1.18 0.00 0.00 179.01 179.65 2wxm n SER 1026N -4.64 2.61 0.00 1.04 2.88 -0.44 -5.04 113.62 110.02 2wxm n SER 1026Ca 0.08 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2wxm n SER 1026Cb 0.10 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2wxm n SER 1026CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60