#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pah s VAL 118 N 0.00 1.58 0.51 1.08 1.01 -1.26 -5.05 120.40 118.26 1pah s VAL 118 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1pah s VAL 118 Cb 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1pah s VAL 118 CO 0.00 0.45 1.16 -2.16 0.00 0.00 0.00 175.10 174.55 1pah s PRO 119 N 0.26 3.52 0.31 2.72 0.04 -1.26 -4.99 135.00 135.60 1pah s PRO 119 Ca -0.11 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1pah s PRO 119 Cb -0.15 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 1pah s PRO 119 CO 0.04 -0.74 1.41 -0.46 0.04 0.00 0.00 177.00 177.30 1pah s TRP 120 N -1.63 2.91 0.02 0.56 -0.00 -1.26 -4.45 118.94 115.10 1pah s TRP 120 Ca 0.68 1.18 0.00 0.00 -0.00 0.00 0.00 56.10 57.97 1pah s TRP 120 Cb -0.27 -3.83 -0.02 0.00 -0.00 0.00 0.00 33.47 29.35 1pah s TRP 120 CO 0.32 -2.52 -0.03 -0.59 -0.00 0.00 0.00 176.95 174.14 1pah s PHE 121 N -0.66 0.24 0.49 5.86 -0.12 -1.26 -4.83 117.98 117.71 1pah s PHE 121 Ca 0.54 -0.39 -0.23 0.00 -0.05 0.00 0.00 56.93 56.81 1pah s PHE 121 Cb -0.43 -0.17 -0.06 0.00 -0.63 0.00 0.00 43.02 41.73 1pah s PHE 121 CO 0.52 -0.13 1.26 -1.25 -0.05 0.00 0.00 175.22 175.57 1pah s PRO 122 N -1.08 3.52 -0.01 1.99 0.04 -1.26 -4.94 135.00 133.27 1pah s PRO 122 Ca -0.11 2.00 0.12 0.00 0.04 0.00 0.00 61.00 63.05 1pah s PRO 122 Cb -0.07 -2.38 -0.15 0.00 0.04 0.00 0.00 34.50 31.94 1pah s PRO 122 CO -0.01 -0.81 0.39 0.54 0.04 0.00 0.00 177.00 177.16 1pah n ARG 123 N -0.65 1.98 -4.17 4.56 1.74 -1.26 -4.86 116.66 114.00 1pah n ARG 123 Ca 0.08 -0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 1pah n ARG 123 Cb 0.46 -1.15 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 1pah n ARG 123 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pah s THR 124 N -2.41 0.81 0.47 0.55 -4.23 -1.26 -0.25 115.64 109.32 1pah s THR 124 Ca 0.01 -1.79 0.12 0.00 -1.18 0.00 0.00 61.69 58.84 1pah s THR 124 Cb 0.08 -1.52 0.26 0.00 1.34 0.00 0.00 72.50 72.66 1pah s THR 124 CO 0.48 -0.73 2.10 -0.29 -0.54 0.00 0.00 174.62 175.64 1pah h ILE 125 N 3.24 1.06 0.00 2.99 2.10 -1.84 -2.13 117.51 122.93 1pah h ILE 125 Ca -0.36 -0.14 -0.10 0.00 1.08 0.00 0.00 64.86 65.34 1pah h ILE 125 Cb 1.18 0.82 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1pah h ILE 125 CO 0.59 0.06 -0.49 -0.61 -1.08 0.00 0.00 178.15 176.62 1pah h GLN 126 N 0.24 0.00 0.00 2.19 4.15 -1.97 -2.83 115.11 116.90 1pah h GLN 126 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1pah h GLN 126 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1pah h GLN 126 CO -0.01 0.49 0.00 0.39 -1.93 0.00 0.00 178.83 177.77 1pah n GLU 127 N -3.92 0.09 0.22 1.69 1.02 -0.80 -0.99 120.64 117.95 1pah n GLU 127 Ca -0.01 0.54 0.15 0.00 -0.02 0.00 0.00 57.16 57.82 1pah n GLU 127 Cb 0.51 -1.77 0.72 0.00 -0.02 0.00 0.00 31.44 30.89 1pah n GLU 127 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1pah h LEU 128 N 0.00 0.00 -2.66 -4.62 3.38 -1.63 -2.32 115.31 107.46 1pah h LEU 128 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pah h LEU 128 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pah h LEU 128 CO 0.00 0.00 0.07 0.44 0.09 0.00 0.00 178.44 179.04 1pah h ASP 129 N 0.00 0.00 1.31 -0.43 3.32 -1.30 -2.33 116.42 116.99 1pah h ASP 129 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pah h ASP 129 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1pah h ASP 129 CO 0.00 0.00 0.00 0.03 -1.72 0.00 0.00 179.24 177.55 1pah h ARG 130 N 0.00 0.00 -0.21 3.56 2.47 -1.66 -3.29 114.38 115.26 1pah h ARG 130 Ca 0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1pah h ARG 130 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1pah h ARG 130 CO -0.00 0.00 0.09 0.74 0.56 0.00 0.00 179.97 181.36 1pah h PHE 131 N 0.00 0.27 -0.13 3.04 0.04 -1.64 -2.83 116.94 115.69 1pah h PHE 131 Ca 0.00 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1pah h PHE 131 Cb 0.65 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1pah h PHE 131 CO 0.00 0.21 0.20 0.00 -0.60 0.00 0.00 178.31 178.12 1pah h ALA 132 N 1.82 1.62 -0.20 2.45 0.00 -1.79 -0.60 119.26 122.56 1pah h ALA 132 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pah h ALA 132 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pah h ALA 132 CO -0.01 -0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.06 1pah n ASN 133 N -3.54 1.82 -2.64 0.00 3.02 -1.07 -4.19 115.26 108.66 1pah n ASN 133 Ca 0.00 -1.76 -0.07 0.00 -0.03 0.00 0.00 54.58 52.73 1pah n ASN 133 Cb 0.30 -0.13 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1pah n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pah n GLN 134 N 0.43 2.10 -3.70 3.52 10.64 -0.23 -5.08 117.38 125.06 1pah n GLN 134 Ca 0.16 -3.65 -0.21 0.00 -1.83 0.00 0.00 57.00 51.47 1pah n GLN 134 Cb 0.35 -1.72 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 1pah n GLN 134 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1pah s ILE 135 N -3.95 3.29 -0.17 -0.39 -4.36 -1.25 -4.42 121.20 109.95 1pah s ILE 135 Ca 0.33 -1.33 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 1pah s ILE 135 Cb 0.36 -3.13 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 1pah s ILE 135 CO -0.02 -0.12 1.34 -0.22 0.24 0.00 0.00 174.94 176.16 1pah s LEU 136 N -4.05 4.15 0.00 0.37 2.96 -0.30 -4.90 118.68 116.90 1pah s LEU 136 Ca 0.44 1.70 0.24 0.00 -0.22 0.00 0.00 54.13 56.29 1pah s LEU 136 Cb -0.05 -3.54 1.06 0.00 0.50 0.00 0.00 46.19 44.16 1pah s LEU 136 CO 0.27 -0.85 1.78 -1.20 -1.32 0.00 0.00 176.35 175.03 1pah n SER 137 N 6.91 0.00 -4.09 3.68 7.64 -1.26 -4.12 113.62 122.37 1pah n SER 137 Ca 0.15 0.40 -0.36 0.00 1.01 0.00 0.00 58.87 60.07 1pah n SER 137 Cb 0.45 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.08 1pah n SER 137 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pah s TYR 138 N -2.93 3.44 0.86 1.43 2.02 -1.26 -5.09 117.35 115.82 1pah s TYR 138 Ca 0.14 -2.67 -0.13 0.00 -0.37 0.00 0.00 57.07 54.03 1pah s TYR 138 Cb 0.16 -3.18 0.06 0.00 -0.40 0.00 0.00 41.96 38.59 1pah s TYR 138 CO 0.43 -0.87 0.82 0.41 -1.57 0.00 0.00 175.55 174.77 1pah n GLY 139 N 3.73 -0.98 0.31 0.71 0.00 -1.26 -4.87 105.19 102.83 1pah n GLY 139 Ca 0.05 -0.59 0.20 0.00 0.00 0.00 0.00 46.02 45.68 1pah n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pah h ALA 140 N -1.18 1.10 0.00 4.61 0.00 -1.97 -0.12 119.26 121.69 1pah h ALA 140 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pah h ALA 140 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1pah h ALA 140 CO 0.41 0.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.83 1pah n GLU 141 N -3.24 0.20 0.00 0.00 0.00 -1.26 -1.52 120.64 114.81 1pah n GLU 141 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.37 1pah n GLU 141 Cb 0.14 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.32 1pah n GLU 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1pah n LEU 142 N -1.36 1.12 -4.72 -1.84 4.77 -0.06 -4.40 117.00 110.51 1pah n LEU 142 Ca 0.08 -0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.33 1pah n LEU 142 Cb 0.20 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1pah n LEU 142 CO 0.17 0.22 0.57 -1.81 -1.33 0.00 0.00 177.39 175.21 1pah s ASP 143 N -2.62 7.27 0.62 -1.43 1.11 -0.58 -4.94 116.67 116.10 1pah s ASP 143 Ca 0.20 1.53 0.30 0.00 0.18 0.00 0.00 52.55 54.76 1pah s ASP 143 Cb 0.18 -2.51 1.66 0.00 1.07 0.00 0.00 42.92 43.32 1pah s ASP 143 CO 0.59 -0.13 2.02 0.00 1.18 0.00 0.00 175.17 178.82 1pah h ALA 144 N 6.34 1.71 0.00 5.23 0.00 -1.90 0.18 119.26 130.81 1pah h ALA 144 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pah h ALA 144 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1pah h ALA 144 CO 0.74 -0.39 -0.02 0.38 0.00 0.00 0.00 179.25 179.95 1pah h ASP 145 N 0.00 0.00 -3.46 0.00 2.03 -1.92 -3.46 116.42 109.61 1pah h ASP 145 Ca 0.09 -0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.86 1pah h ASP 145 Cb 0.68 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 39.23 1pah h ASP 145 CO -0.00 0.00 0.71 -2.28 -1.03 0.00 0.00 179.24 176.64 1pah s HIS 146 N -3.14 3.10 0.59 4.15 2.46 0.62 -4.89 115.29 118.17 1pah s HIS 146 Ca 0.09 1.15 0.29 0.00 0.47 0.00 0.00 55.06 57.05 1pah s HIS 146 Cb 0.10 -3.73 1.53 0.00 -0.13 0.00 0.00 32.58 30.35 1pah s HIS 146 CO 0.63 -2.29 1.97 -1.35 -2.47 0.00 0.00 174.74 171.22 1pah h PRO 147 N 4.89 0.00 -0.34 2.88 0.11 -1.89 -1.74 132.00 135.92 1pah h PRO 147 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1pah h PRO 147 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pah h PRO 147 CO 0.76 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 1pah n GLY 148 N -1.47 3.68 0.11 -0.55 0.00 -1.26 -4.69 105.19 101.01 1pah n GLY 148 Ca 0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1pah n GLY 148 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pah h PHE 149 N 2.27 0.12 -0.15 1.61 3.57 -1.52 -2.31 116.94 120.54 1pah h PHE 149 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1pah h PHE 149 Cb 1.45 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1pah h PHE 149 CO 0.57 0.06 0.00 1.63 -2.23 0.00 0.00 178.31 178.34 1pah n LYS 150 N -5.05 1.39 -3.44 1.11 5.02 -1.26 -4.70 118.16 111.23 1pah n LYS 150 Ca -0.02 -0.60 -0.43 0.00 -2.02 0.00 0.00 58.31 55.23 1pah n LYS 150 Cb 0.08 -1.17 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1pah n LYS 150 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pah s ASP 151 N -1.11 5.93 0.40 4.39 -1.08 -0.87 -4.95 116.67 119.38 1pah s ASP 151 Ca 0.15 -1.81 0.08 0.00 -0.52 0.00 0.00 52.55 50.45 1pah s ASP 151 Cb 0.08 -2.10 0.85 0.00 -1.46 0.00 0.00 42.92 40.28 1pah s ASP 151 CO 0.11 -0.76 2.01 1.55 0.52 0.00 0.00 175.17 178.61 1pah h PRO 152 N 8.65 0.58 -0.42 4.34 0.13 -1.84 -0.46 132.00 142.98 1pah h PRO 152 Ca -0.25 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1pah h PRO 152 Cb 1.09 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1pah h PRO 152 CO 0.94 0.38 -0.13 0.28 -0.23 0.00 0.00 178.00 179.24 1pah h VAL 153 N 0.60 1.28 -0.08 1.56 2.07 -1.94 -1.44 116.25 118.29 1pah h VAL 153 Ca 0.22 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1pah h VAL 153 Cb 0.14 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1pah h VAL 153 CO -0.06 0.42 0.04 0.22 0.02 0.00 0.00 177.57 178.21 1pah h TYR 154 N 0.66 0.12 -0.66 1.57 3.20 -1.63 0.16 116.97 120.38 1pah h TYR 154 Ca 0.10 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.07 1pah h TYR 154 Cb 0.67 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 1pah h TYR 154 CO 0.05 0.20 0.28 -0.09 -1.64 0.00 0.00 178.16 176.97 1pah h ARG 155 N -0.01 0.46 -0.51 1.82 9.65 -1.03 0.32 114.38 125.08 1pah h ARG 155 Ca 0.03 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1pah h ARG 155 Cb 0.13 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1pah h ARG 155 CO -0.00 0.31 -0.02 0.00 2.80 0.00 0.00 179.97 183.05 1pah h ALA 156 N 1.44 0.69 -0.66 2.80 0.00 -0.97 -1.89 119.26 120.67 1pah h ALA 156 Ca 0.34 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pah h ALA 156 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pah h ALA 156 CO -0.31 0.52 0.20 -0.09 0.00 0.00 0.00 179.25 179.57 1pah h ARG 157 N 0.78 1.02 -0.72 0.00 9.65 0.53 -1.22 114.38 124.42 1pah h ARG 157 Ca 0.14 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 1pah h ARG 157 Cb 0.56 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 1pah h ARG 157 CO 0.03 0.89 0.31 0.00 2.80 0.00 0.00 179.97 184.00 1pah h ARG 158 N 0.95 1.06 -0.66 0.20 2.47 -0.18 -1.79 114.38 116.44 1pah h ARG 158 Ca 0.21 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1pah h ARG 158 Cb 0.30 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 1pah h ARG 158 CO -0.01 0.86 0.35 -0.22 0.56 0.00 0.00 179.97 181.52 1pah h LYS 159 N 1.02 0.91 -0.46 0.04 3.11 -1.03 -0.45 116.57 119.71 1pah h LYS 159 Ca 0.24 -0.10 -0.03 0.00 -2.81 0.00 0.00 60.65 57.96 1pah h LYS 159 Cb 0.18 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1pah h LYS 159 CO -0.02 0.67 0.19 0.37 -2.81 0.00 0.00 179.45 177.85 1pah h GLN 160 N 0.92 0.69 -0.33 1.90 4.15 -0.44 -1.12 115.11 120.87 1pah h GLN 160 Ca 0.23 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 1pah h GLN 160 Cb 0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1pah h GLN 160 CO -0.04 0.62 -0.24 0.74 -1.93 0.00 0.00 178.83 177.99 1pah h PHE 161 N 0.60 0.73 -0.79 3.99 0.04 -0.64 -2.36 116.94 118.51 1pah h PHE 161 Ca 0.15 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1pah h PHE 161 Cb 0.19 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 1pah h PHE 161 CO 0.00 0.83 0.34 0.00 -0.60 0.00 0.00 178.31 178.87 1pah h ALA 162 N 1.17 1.10 -0.61 2.45 0.00 -0.74 -1.92 119.26 120.71 1pah h ALA 162 Ca 0.08 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1pah h ALA 162 Cb 0.71 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1pah h ALA 162 CO 0.05 0.65 0.08 -0.44 0.00 0.00 0.00 179.25 179.60 1pah h ASP 163 N 1.15 0.97 -0.51 0.00 3.32 -0.95 0.10 116.42 120.49 1pah h ASP 163 Ca 0.27 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1pah h ASP 163 Cb 0.18 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1pah h ASP 163 CO -0.03 0.97 0.21 0.40 -1.72 0.00 0.00 179.24 179.08 1pah h ILE 164 N 0.95 1.21 -0.44 0.35 2.04 -0.97 -2.32 117.51 118.33 1pah h ILE 164 Ca 0.19 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1pah h ILE 164 Cb 0.43 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1pah h ILE 164 CO 0.01 0.24 -0.07 0.00 0.00 0.00 0.00 178.15 178.34 1pah h ALA 165 N 1.06 0.61 -0.97 1.87 0.00 -1.07 -2.71 119.26 118.04 1pah h ALA 165 Ca 0.17 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1pah h ALA 165 Cb 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1pah h ALA 165 CO -0.02 0.46 0.64 -0.92 0.00 0.00 0.00 179.25 179.42 1pah h TYR 166 N 0.67 1.21 -0.01 0.00 3.20 -0.62 -2.37 116.97 119.05 1pah h TYR 166 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1pah h TYR 166 Cb 0.59 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1pah h TYR 166 CO 0.05 0.74 -0.09 0.09 -1.64 0.00 0.00 178.16 177.31 1pah n ASN 167 N -4.40 1.22 -4.75 -2.11 3.02 -0.89 -4.90 115.26 102.44 1pah n ASN 167 Ca 0.12 -1.22 -0.41 0.00 -0.03 0.00 0.00 54.58 53.04 1pah n ASN 167 Cb 0.04 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1pah n ASN 167 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pah s TYR 168 N -2.20 3.26 -0.01 3.10 5.04 -0.89 -5.01 117.35 120.64 1pah s TYR 168 Ca 0.33 1.37 0.06 0.00 -2.44 0.00 0.00 57.07 56.39 1pah s TYR 168 Cb 0.20 -3.56 -0.02 0.00 0.35 0.00 0.00 41.96 38.93 1pah s TYR 168 CO 0.41 -1.62 -0.20 0.50 -1.34 0.00 0.00 175.55 173.30 1pah s ARG 169 N -0.82 1.55 0.39 4.97 6.06 -1.26 -5.01 118.95 124.82 1pah s ARG 169 Ca 0.52 -0.72 -0.26 0.00 -2.50 0.00 0.00 55.73 52.77 1pah s ARG 169 Cb -0.36 -1.52 -0.11 0.00 0.06 0.00 0.00 34.95 33.02 1pah s ARG 169 CO 0.43 0.41 1.17 1.58 -2.50 0.00 0.00 175.30 176.39 1pah n HIS 170 N 2.51 1.80 0.00 5.12 -0.00 -1.26 -2.24 115.22 121.15 1pah n HIS 170 Ca -0.15 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.12 1pah n HIS 170 Cb 0.53 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.19 1pah n HIS 170 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pah n GLY 171 N 0.95 1.91 3.89 1.57 0.00 -1.26 -5.05 105.19 107.20 1pah n GLY 171 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1pah n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pah s GLN 172 N -0.60 3.72 0.49 1.61 -0.21 -0.95 -5.04 119.66 118.68 1pah s GLN 172 Ca 0.00 0.16 -0.21 0.00 0.02 0.00 0.00 55.36 55.32 1pah s GLN 172 Cb 0.00 -2.63 -0.07 0.00 1.00 0.00 0.00 33.01 31.31 1pah s GLN 172 CO 0.00 0.24 1.13 -1.25 -2.12 0.00 0.00 175.29 173.29 1pah s PRO 173 N -3.24 3.64 0.05 2.91 0.04 -1.26 -4.93 135.00 132.22 1pah s PRO 173 Ca 0.46 1.65 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 1pah s PRO 173 Cb -0.11 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1pah s PRO 173 CO 0.26 -0.62 1.23 0.42 0.04 0.00 0.00 177.00 178.33 1pah s ILE 174 N -1.69 3.97 0.28 0.56 1.01 -1.26 -4.94 121.20 119.14 1pah s ILE 174 Ca 0.67 1.40 -0.29 0.00 0.00 0.00 0.00 60.65 62.43 1pah s ILE 174 Cb -0.25 -3.90 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 1pah s ILE 174 CO 0.30 0.10 1.21 -2.65 0.00 0.00 0.00 174.94 173.89 1pah n PRO 175 N 4.09 1.75 -3.23 2.79 -0.02 -1.26 -4.43 135.00 134.69 1pah n PRO 175 Ca 0.09 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 1pah n PRO 175 Cb 0.46 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1pah n PRO 175 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pah s ARG 176 N -1.30 4.10 -0.00 -0.52 0.52 -1.26 -4.84 118.95 115.65 1pah s ARG 176 Ca 0.61 0.67 0.04 0.00 -0.52 0.00 0.00 55.73 56.53 1pah s ARG 176 Cb -0.66 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1pah s ARG 176 CO 0.58 0.42 -0.12 0.08 0.02 0.00 0.00 175.30 176.28 1pah s VAL 177 N -1.52 0.95 -0.37 3.52 1.01 -1.26 -5.11 120.40 117.62 1pah s VAL 177 Ca 0.41 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 1pah s VAL 177 Cb -0.15 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1pah s VAL 177 CO 0.20 0.21 0.72 -0.70 0.00 0.00 0.00 175.10 175.53 1pah s GLU 178 N -0.43 3.69 0.33 2.72 2.12 -1.26 -5.03 118.70 120.84 1pah s GLU 178 Ca 0.04 0.16 -0.24 0.00 0.36 0.00 0.00 54.97 55.30 1pah s GLU 178 Cb -0.05 -3.82 -0.10 0.00 0.26 0.00 0.00 34.13 30.42 1pah s GLU 178 CO -0.00 -0.82 0.91 0.71 -0.54 0.00 0.00 175.26 175.52 1pah s TYR 179 N 2.95 3.60 0.74 5.30 2.02 -1.26 -5.04 117.35 125.65 1pah s TYR 179 Ca 0.28 1.68 -0.11 0.00 -0.37 0.00 0.00 57.07 58.55 1pah s TYR 179 Cb -0.14 -2.86 0.03 0.00 -0.40 0.00 0.00 41.96 38.60 1pah s TYR 179 CO 0.16 0.16 1.07 -1.64 -1.57 0.00 0.00 175.55 173.73 1pah s MET 180 N -2.31 2.57 0.18 -0.62 -1.94 -1.26 -4.83 119.30 111.09 1pah s MET 180 Ca 0.52 0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 55.29 1pah s MET 180 Cb -0.16 -1.95 0.16 0.00 2.01 0.00 0.00 34.83 34.88 1pah s MET 180 CO 0.21 -1.35 1.77 0.93 -0.01 0.00 0.00 175.02 176.57 1pah h GLU 181 N -0.90 0.44 -0.74 2.03 4.39 -1.99 -0.78 114.58 117.03 1pah h GLU 181 Ca -0.45 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.31 1pah h GLU 181 Cb 1.23 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.71 1pah h GLU 181 CO 0.56 0.29 0.40 0.93 -1.16 0.00 0.00 179.01 180.03 1pah h GLU 182 N 0.46 0.66 -0.57 2.33 3.07 -2.00 0.33 114.58 118.87 1pah h GLU 182 Ca 0.23 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.94 1pah h GLU 182 Cb 0.18 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1pah h GLU 182 CO -0.19 0.44 -0.08 0.93 -1.40 0.00 0.00 179.01 178.71 1pah h GLU 183 N 0.68 1.06 -0.57 2.33 5.08 -1.70 -2.69 114.58 118.77 1pah h GLU 183 Ca 0.35 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1pah h GLU 183 Cb 0.32 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1pah h GLU 183 CO -0.24 1.08 0.09 0.87 -1.00 0.00 0.00 179.01 179.81 1pah h LYS 184 N 0.95 0.91 -0.12 2.33 1.57 -0.12 -2.26 116.57 119.83 1pah h LYS 184 Ca 0.15 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1pah h LYS 184 Cb 0.65 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1pah h LYS 184 CO 0.04 0.85 0.07 0.87 -0.57 0.00 0.00 179.45 180.71 1pah h LYS 185 N 0.86 0.15 -0.40 3.15 1.57 -0.80 0.21 116.57 121.31 1pah h LYS 185 Ca 0.18 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1pah h LYS 185 Cb 0.38 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1pah h LYS 185 CO 0.01 0.10 0.21 1.15 -0.57 0.00 0.00 179.45 180.35 1pah h THR 186 N 0.15 1.00 -0.45 -0.16 2.02 -1.25 0.19 112.91 114.41 1pah h THR 186 Ca 0.04 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1pah h THR 186 Cb -0.01 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1pah h THR 186 CO -0.02 0.08 0.24 -0.25 0.37 0.00 0.00 175.52 175.94 1pah h TRP 187 N 0.43 0.45 -0.83 3.16 2.91 -1.12 -2.07 115.95 118.88 1pah h TRP 187 Ca 0.17 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.24 1pah h TRP 187 Cb 0.05 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 28.52 1pah h TRP 187 CO -0.09 0.24 0.52 0.78 -1.03 0.00 0.00 178.44 178.86 1pah h GLY 188 N 0.48 1.21 0.83 2.65 0.00 0.32 0.80 103.07 109.35 1pah h GLY 188 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1pah h GLY 188 CO -0.12 0.32 0.00 -0.84 0.00 0.00 0.00 176.54 175.90 1pah h THR 189 N 1.00 1.14 -0.22 4.70 2.02 -0.55 -2.13 112.91 118.88 1pah h THR 189 Ca 0.34 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1pah h THR 189 Cb 0.05 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1pah h THR 189 CO -0.13 0.11 0.14 0.58 0.37 0.00 0.00 175.52 176.58 1pah h VAL 190 N -0.17 1.08 0.32 3.16 2.07 -1.17 -1.94 116.25 119.61 1pah h VAL 190 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1pah h VAL 190 Cb 0.18 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1pah h VAL 190 CO -0.00 0.08 -0.34 0.15 0.02 0.00 0.00 177.57 177.48 1pah h PHE 191 N 0.28 -0.92 -0.59 1.57 3.57 -0.82 -1.81 116.94 118.21 1pah h PHE 191 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1pah h PHE 191 Cb 0.01 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1pah h PHE 191 CO -0.05 -0.48 0.37 -0.22 -2.23 0.00 0.00 178.31 175.70 1pah h LYS 192 N -0.70 0.72 -0.52 1.11 1.63 -1.37 -1.40 116.57 116.04 1pah h LYS 192 Ca -0.02 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 1pah h LYS 192 Cb 0.64 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1pah h LYS 192 CO -0.07 0.47 -0.12 1.15 -3.45 0.00 0.00 179.45 177.43 1pah h THR 193 N 0.74 1.27 0.07 1.00 2.02 -1.26 -3.27 112.91 113.47 1pah h THR 193 Ca 0.23 -1.27 -0.25 0.00 0.77 0.00 0.00 66.41 65.90 1pah h THR 193 Cb -0.01 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1pah h THR 193 CO -0.09 0.45 -1.09 -0.07 0.37 0.00 0.00 175.52 175.09 1pah h LEU 194 N 0.88 0.44 -1.61 2.58 3.38 -1.20 -3.33 115.31 116.44 1pah h LEU 194 Ca 0.14 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.84 1pah h LEU 194 Cb 0.68 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1pah h LEU 194 CO 0.05 1.26 0.48 0.50 0.09 0.00 0.00 178.44 180.83 1pah h LYS 195 N 0.13 0.38 -0.35 1.13 3.64 -1.30 -1.32 116.57 118.88 1pah h LYS 195 Ca -0.10 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1pah h LYS 195 Cb 1.78 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.49 1pah h LYS 195 CO 0.18 0.25 0.23 0.66 -2.27 0.00 0.00 179.45 178.50 1pah h SER 196 N 0.39 0.30 1.68 4.20 4.64 -1.68 -2.93 113.55 120.15 1pah h SER 196 Ca 0.35 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 1pah h SER 196 Cb 0.82 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1pah h SER 196 CO -0.11 0.21 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.67 1pah h LEU 197 N 0.35 0.00 -0.09 5.97 3.38 -1.46 -3.40 115.31 120.06 1pah h LEU 197 Ca 0.14 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1pah h LEU 197 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1pah h LEU 197 CO -0.03 0.19 -0.06 1.88 0.09 0.00 0.00 178.44 180.50 1pah h TYR 198 N 0.00 -0.15 -0.84 1.13 0.05 -1.55 0.65 116.97 116.25 1pah h TYR 198 Ca -0.01 0.01 0.20 0.00 0.05 0.00 0.00 58.73 58.98 1pah h TYR 198 Cb 1.15 0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.92 1pah h TYR 198 CO 0.00 -0.10 0.57 1.57 -1.05 0.00 0.00 178.16 179.15 1pah h LYS 199 N -0.07 0.29 0.00 4.88 2.10 -1.77 -0.74 116.57 121.26 1pah h LYS 199 Ca 0.06 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.55 1pah h LYS 199 Cb 0.16 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.39 1pah h LYS 199 CO -0.13 0.19 -2.13 0.25 -2.00 0.00 0.00 179.45 175.63 1pah n THR 200 N -4.45 0.54 -0.04 0.07 -2.24 -1.05 -4.71 114.28 102.40 1pah n THR 200 Ca 0.17 -0.63 -0.03 0.00 -2.27 0.00 0.00 64.05 61.30 1pah n THR 200 Cb 0.71 -0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.67 1pah n THR 200 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pah n HIS 201 N -2.44 0.00 -2.77 4.78 8.25 0.19 -5.03 115.22 118.21 1pah n HIS 201 Ca -0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.97 1pah n HIS 201 Cb 0.79 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 1pah n HIS 201 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pah s ALA 202 N -2.36 3.06 0.82 -1.41 0.00 -0.32 -1.53 121.76 120.03 1pah s ALA 202 Ca -0.05 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 1pah s ALA 202 Cb 0.04 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 20.07 1pah s ALA 202 CO 0.43 0.08 1.12 0.00 0.00 0.00 0.00 175.76 177.39 1pah h TYR 204 N -1.27 -0.68 -0.96 0.00 3.20 -1.96 -0.53 116.97 114.77 1pah h TYR 204 Ca -0.44 0.06 0.19 0.00 3.14 0.00 0.00 58.73 61.68 1pah h TYR 204 Cb 1.25 0.38 -0.09 0.00 1.54 0.00 0.00 36.73 39.82 1pah h TYR 204 CO 0.54 -0.34 0.61 0.93 -1.64 0.00 0.00 178.16 178.26 1pah h GLU 205 N -0.13 0.63 0.02 1.82 3.07 -1.98 0.42 114.58 118.42 1pah h GLU 205 Ca 0.24 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1pah h GLU 205 Cb 0.51 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1pah h GLU 205 CO -0.61 0.41 -0.01 -0.92 -1.40 0.00 0.00 179.01 176.48 1pah h TYR 206 N 0.64 -0.03 -0.27 4.33 5.03 -1.42 -3.04 116.97 122.21 1pah h TYR 206 Ca 0.52 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.77 1pah h TYR 206 Cb 0.96 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 1pah h TYR 206 CO -0.00 0.24 -0.11 -0.91 -1.32 0.00 0.00 178.16 176.06 1pah h ASN 207 N -0.30 0.44 -0.64 -2.11 2.35 -0.83 -2.24 115.58 112.24 1pah h ASN 207 Ca -0.00 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1pah h ASN 207 Cb 0.28 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1pah h ASN 207 CO 0.01 0.58 0.15 -0.74 -1.65 0.00 0.00 177.43 175.78 1pah h HIS 208 N 0.42 1.11 0.00 1.19 -0.00 -0.94 -3.25 115.15 113.68 1pah h HIS 208 Ca 0.08 -0.13 -0.11 0.00 -0.00 0.00 0.00 60.37 60.21 1pah h HIS 208 Cb 0.45 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1pah h HIS 208 CO 0.01 0.91 -1.26 1.51 -0.00 0.00 0.00 177.93 179.11 1pah n ILE 209 N -4.23 0.99 -0.23 6.26 0.13 -1.14 -4.39 119.36 116.74 1pah n ILE 209 Ca 0.05 -0.64 0.04 0.00 -1.10 0.00 0.00 62.75 61.10 1pah n ILE 209 Cb 0.26 -0.60 0.15 0.00 -0.84 0.00 0.00 39.64 38.61 1pah n ILE 209 CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 1pah h PHE 210 N 0.00 0.18 -0.84 9.51 3.57 -1.44 0.54 116.94 128.46 1pah h PHE 210 Ca -0.10 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1pah h PHE 210 Cb 1.37 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.09 1pah h PHE 210 CO 0.00 -0.11 0.54 -1.35 -2.23 0.00 0.00 178.31 175.17 1pah h PRO 211 N 0.22 0.84 -0.20 6.41 0.11 -1.77 -0.21 132.00 137.41 1pah h PRO 211 Ca 0.38 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 1pah h PRO 211 Cb 0.64 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1pah h PRO 211 CO -0.51 0.56 -0.33 -0.07 -0.21 0.00 0.00 178.00 177.44 1pah h LEU 212 N 0.87 0.41 -0.42 2.35 3.38 -1.17 -0.69 115.31 120.05 1pah h LEU 212 Ca 0.37 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1pah h LEU 212 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pah h LEU 212 CO -0.14 0.73 -0.26 -0.07 0.09 0.00 0.00 178.44 178.78 1pah h LEU 213 N 0.35 0.95 -0.83 1.67 3.38 -0.42 -0.34 115.31 120.07 1pah h LEU 213 Ca 0.04 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1pah h LEU 213 Cb 0.76 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1pah h LEU 213 CO 0.06 1.17 0.54 -0.33 0.09 0.00 0.00 178.44 179.97 1pah h GLU 214 N 0.74 1.10 0.36 1.13 5.08 -0.72 0.76 114.58 123.03 1pah h GLU 214 Ca 0.08 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1pah h GLU 214 Cb 0.84 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1pah h GLU 214 CO 0.07 0.74 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.43 1pah h LYS 215 N 1.13 -0.46 0.00 2.33 3.64 -0.88 -3.15 116.57 119.17 1pah h LYS 215 Ca 0.30 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1pah h LYS 215 Cb -0.11 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1pah h LYS 215 CO -0.06 -0.28 -0.76 1.88 -2.27 0.00 0.00 179.45 177.95 1pah h TYR 216 N -1.11 0.00 -0.01 1.91 -1.99 -1.15 -3.37 116.97 111.24 1pah h TYR 216 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1pah h TYR 216 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 1pah h TYR 216 CO 0.01 0.05 -0.18 0.00 -0.00 0.00 0.00 178.16 178.03 1pah n GLY 218 N 0.97 0.16 3.55 0.00 0.00 -1.00 -4.63 105.19 104.25 1pah n GLY 218 Ca 0.07 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1pah n GLY 218 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pah s PHE 219 N -2.36 2.07 0.08 1.61 0.40 -1.16 -4.38 117.98 114.23 1pah s PHE 219 Ca 0.01 0.19 -0.14 0.00 -0.60 0.00 0.00 56.93 56.39 1pah s PHE 219 Cb -0.01 -4.41 0.02 0.00 0.51 0.00 0.00 43.02 39.14 1pah s PHE 219 CO 0.02 -2.11 0.33 -1.58 0.70 0.00 0.00 175.22 172.57 1pah s HIS 220 N 7.11 -0.11 0.53 0.36 2.46 -1.26 -4.45 115.29 119.93 1pah s HIS 220 Ca 0.50 -0.12 0.19 0.00 0.47 0.00 0.00 55.06 56.10 1pah s HIS 220 Cb -0.08 0.13 1.35 0.00 -0.13 0.00 0.00 32.58 33.84 1pah s HIS 220 CO 0.12 -0.58 2.12 0.93 -2.47 0.00 0.00 174.74 174.86 1pah h GLU 221 N 2.85 0.00 -0.32 2.88 5.08 -1.91 -2.60 114.58 120.57 1pah h GLU 221 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1pah h GLU 221 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1pah h GLU 221 CO 0.48 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.24 1pah n ASP 222 N -4.43 2.40 -3.70 1.42 8.00 -1.26 -3.72 116.55 115.25 1pah n ASP 222 Ca 0.00 -1.87 -0.12 0.00 0.71 0.00 0.00 54.79 53.51 1pah n ASP 222 Cb 0.22 -0.21 -0.12 0.00 -0.02 0.00 0.00 41.12 40.99 1pah n ASP 222 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pah s ASN 223 N -1.38 -0.13 -0.24 -2.24 2.47 -0.98 -5.06 114.94 107.39 1pah s ASN 223 Ca 0.34 0.65 -0.23 0.00 0.42 0.00 0.00 52.86 54.04 1pah s ASN 223 Cb 0.19 0.63 -0.01 0.00 -1.45 0.00 0.00 41.25 40.60 1pah s ASN 223 CO 0.26 -0.20 0.74 -0.63 -3.72 0.00 0.00 177.10 173.55 1pah s ILE 224 N 1.73 4.91 0.57 -5.21 1.01 -1.26 -4.02 121.20 118.93 1pah s ILE 224 Ca -0.06 1.38 -0.20 0.00 0.00 0.00 0.00 60.65 61.77 1pah s ILE 224 Cb -0.11 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1pah s ILE 224 CO -0.10 -0.02 1.19 -2.65 0.00 0.00 0.00 174.94 173.37 1pah n PRO 225 N 5.81 1.31 -3.24 2.79 -0.02 -1.26 -4.99 135.00 135.40 1pah n PRO 225 Ca 0.03 0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 1pah n PRO 225 Cb 0.48 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1pah n PRO 225 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1pah s GLN 226 N -2.84 4.29 0.33 -0.52 -1.52 -1.26 -4.97 119.66 113.17 1pah s GLN 226 Ca 0.74 0.67 0.06 0.00 -1.95 0.00 0.00 55.36 54.88 1pah s GLN 226 Cb -0.42 -3.35 0.71 0.00 -0.22 0.00 0.00 33.01 29.73 1pah s GLN 226 CO 0.48 0.35 1.87 -0.07 -0.25 0.00 0.00 175.29 177.67 1pah h LEU 227 N 5.76 0.76 -0.49 2.90 3.38 -1.91 -1.77 115.31 123.93 1pah h LEU 227 Ca -0.45 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.60 1pah h LEU 227 Cb 1.20 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1pah h LEU 227 CO 0.70 0.41 0.25 -0.08 0.09 0.00 0.00 178.44 179.80 1pah h GLU 228 N 0.81 0.47 -0.39 1.13 4.57 -1.89 0.51 114.58 119.80 1pah h GLU 228 Ca 0.45 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.58 1pah h GLU 228 Cb 0.57 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1pah h GLU 228 CO -0.21 0.31 0.17 -0.44 -1.18 0.00 0.00 179.01 177.67 1pah h ASP 229 N 0.48 0.52 -0.57 1.04 3.32 -1.72 -0.89 116.42 118.59 1pah h ASP 229 Ca 0.21 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1pah h ASP 229 Cb 0.12 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1pah h ASP 229 CO -0.15 0.52 0.07 0.58 -1.72 0.00 0.00 179.24 178.53 1pah h VAL 230 N 0.48 1.26 -0.11 -1.35 2.07 -1.01 -1.98 116.25 115.61 1pah h VAL 230 Ca 0.13 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1pah h VAL 230 Cb 0.15 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1pah h VAL 230 CO -0.01 0.38 0.06 -1.28 0.02 0.00 0.00 177.57 176.74 1pah h SER 231 N 0.94 0.13 -0.90 0.57 0.87 0.42 -0.96 113.55 114.62 1pah h SER 231 Ca 0.18 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1pah h SER 231 Cb 0.45 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 1pah h SER 231 CO 0.02 0.14 0.59 1.56 -0.53 0.00 0.00 176.83 178.61 1pah h GLN 232 N 0.10 1.02 -0.24 2.24 1.08 -0.99 -0.59 115.11 117.74 1pah h GLN 232 Ca 0.04 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1pah h GLN 232 Cb 0.04 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1pah h GLN 232 CO -0.01 0.68 -0.02 0.35 -0.95 0.00 0.00 178.83 178.88 1pah h PHE 233 N 1.05 0.48 -0.63 2.96 3.04 -0.99 -2.72 116.94 120.12 1pah h PHE 233 Ca 0.38 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.19 1pah h PHE 233 Cb 0.14 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 1pah h PHE 233 CO -0.00 0.63 0.22 -0.07 -2.02 0.00 0.00 178.31 177.07 1pah h LEU 234 N 0.19 0.87 -0.85 0.59 3.38 -0.58 -2.62 115.31 116.29 1pah h LEU 234 Ca 0.06 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1pah h LEU 234 Cb 0.45 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1pah h LEU 234 CO 0.02 0.80 0.56 1.56 0.09 0.00 0.00 178.44 181.47 1pah h GLN 235 N 0.92 1.13 0.00 1.13 4.20 -0.42 0.67 115.11 122.75 1pah h GLN 235 Ca 0.21 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1pah h GLN 235 Cb 0.23 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1pah h GLN 235 CO -0.01 0.76 0.00 0.25 -0.67 0.00 0.00 178.83 179.15 1pah n THR 236 N -4.48 0.73 -0.10 -0.54 -2.24 -1.03 -0.79 114.28 105.84 1pah n THR 236 Ca 0.09 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 1pah n THR 236 Cb 0.02 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 1pah n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pah n THR 238 N -4.46 0.04 -0.98 0.00 -2.24 0.12 -4.83 114.28 101.93 1pah n THR 238 Ca -0.28 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1pah n THR 238 Cb 0.60 1.60 0.00 0.00 -2.10 0.00 0.00 70.33 70.43 1pah n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pah n GLY 239 N -0.02 0.53 3.81 3.38 0.00 0.03 -4.97 105.19 107.95 1pah n GLY 239 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1pah n GLY 239 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pah s PHE 240 N -2.07 3.37 0.05 1.61 2.19 -1.20 -4.78 117.98 117.15 1pah s PHE 240 Ca 0.00 1.64 -0.02 0.00 0.33 0.00 0.00 56.93 58.89 1pah s PHE 240 Cb 0.00 -2.89 -0.03 0.00 -1.31 0.00 0.00 43.02 38.79 1pah s PHE 240 CO 0.00 -0.10 -0.00 -0.98 1.83 0.00 0.00 175.22 175.96 1pah s ARG 241 N -2.94 0.57 0.15 10.12 1.70 -0.19 -1.91 118.95 126.44 1pah s ARG 241 Ca 0.60 -1.04 0.05 0.00 -0.47 0.00 0.00 55.73 54.87 1pah s ARG 241 Cb -0.12 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.43 1pah s ARG 241 CO 0.16 -0.11 0.13 -0.51 -1.08 0.00 0.00 175.30 173.88 1pah s LEU 242 N -2.55 3.80 -0.02 -1.89 1.43 -1.26 -0.47 118.68 117.72 1pah s LEU 242 Ca 0.01 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1pah s LEU 242 Cb 0.03 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1pah s LEU 242 CO -0.08 0.09 0.00 -0.60 0.23 0.00 0.00 176.35 175.99 1pah s ARG 243 N -2.98 0.19 0.35 1.70 3.52 -0.69 -4.90 118.95 116.14 1pah s ARG 243 Ca 0.31 0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 55.70 1pah s ARG 243 Cb -0.10 -0.35 -0.09 0.00 -1.56 0.00 0.00 34.95 32.84 1pah s ARG 243 CO 0.23 -0.10 1.19 -1.25 -0.81 0.00 0.00 175.30 174.56 1pah s PRO 244 N 0.79 4.27 -0.09 5.12 0.04 -1.26 -1.05 135.00 142.82 1pah s PRO 244 Ca -0.08 1.94 0.04 0.00 0.04 0.00 0.00 61.00 62.95 1pah s PRO 244 Cb -0.11 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1pah s PRO 244 CO -0.02 -0.17 -0.23 0.54 0.04 0.00 0.00 177.00 177.17 1pah s VAL 245 N -1.28 2.21 0.00 -0.36 0.11 -0.78 -4.76 120.40 115.54 1pah s VAL 245 Ca 0.52 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1pah s VAL 245 Cb -0.34 -1.84 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1pah s VAL 245 CO 0.43 0.56 0.37 0.00 -3.33 0.00 0.00 175.10 173.13 1pah n ALA 246 N 3.29 -0.02 -2.82 1.54 0.00 -1.26 -4.58 120.51 116.65 1pah n ALA 246 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pah n ALA 246 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1pah n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pah n GLY 247 N 0.40 4.70 3.68 0.00 0.00 -1.26 -4.81 105.19 107.91 1pah n GLY 247 Ca 0.00 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1pah n GLY 247 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pah s LEU 248 N 0.00 4.25 0.31 0.99 2.96 -1.26 -4.86 118.68 121.07 1pah s LEU 248 Ca 0.00 1.67 -0.04 0.00 -0.22 0.00 0.00 54.13 55.54 1pah s LEU 248 Cb 0.00 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 1pah s LEU 248 CO 0.00 -0.54 0.56 -0.76 -1.32 0.00 0.00 176.35 174.29 1pah s LEU 249 N 2.25 4.03 0.77 -0.68 1.43 -1.26 -1.16 118.68 124.06 1pah s LEU 249 Ca 0.52 0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 1pah s LEU 249 Cb -0.21 -3.50 0.05 0.00 0.03 0.00 0.00 46.19 42.56 1pah s LEU 249 CO 0.19 -0.23 1.08 -0.94 0.23 0.00 0.00 176.35 176.68 1pah s SER 250 N -3.38 4.61 0.23 2.29 1.04 -1.26 -4.78 113.70 112.44 1pah s SER 250 Ca 0.43 1.70 -0.08 0.00 0.48 0.00 0.00 55.95 58.48 1pah s SER 250 Cb -0.10 -2.44 0.20 0.00 0.10 0.00 0.00 66.02 63.78 1pah s SER 250 CO 0.32 -1.95 1.90 0.28 0.98 0.00 0.00 173.24 174.77 1pah h SER 251 N -1.07 1.00 -0.10 7.02 0.02 -1.97 -0.03 113.55 118.41 1pah h SER 251 Ca -0.44 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1pah h SER 251 Cb 1.23 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1pah h SER 251 CO 0.54 0.72 0.04 -0.09 -1.14 0.00 0.00 176.83 176.89 1pah h ARG 252 N 1.18 0.09 -0.34 3.45 2.43 -1.91 -1.07 114.38 118.20 1pah h ARG 252 Ca 0.32 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1pah h ARG 252 Cb -0.14 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1pah h ARG 252 CO -0.07 0.06 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.86 1pah h ASP 253 N 0.09 0.72 -0.15 -3.80 3.32 -1.85 -0.41 116.42 114.34 1pah h ASP 253 Ca 0.04 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 1pah h ASP 253 Cb 0.02 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1pah h ASP 253 CO -0.04 0.96 0.08 0.15 -1.72 0.00 0.00 179.24 178.66 1pah h PHE 254 N 0.49 0.21 -0.70 4.55 3.57 -0.93 -2.81 116.94 121.31 1pah h PHE 254 Ca 0.08 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1pah h PHE 254 Cb 0.68 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1pah h PHE 254 CO 0.06 0.22 0.17 -0.07 -2.23 0.00 0.00 178.31 176.46 1pah h LEU 255 N 0.13 1.07 -1.02 0.59 4.07 -1.17 -2.98 115.31 116.00 1pah h LEU 255 Ca 0.05 -0.24 0.13 0.00 0.08 0.00 0.00 57.88 57.90 1pah h LEU 255 Cb 0.09 -0.28 -0.09 0.00 1.08 0.00 0.00 40.66 41.46 1pah h LEU 255 CO -0.01 1.03 0.63 1.23 -1.08 0.00 0.00 178.44 180.24 1pah h GLY 256 N 1.06 1.64 1.88 0.83 0.00 -0.85 -0.79 103.07 106.83 1pah h GLY 256 Ca 0.22 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1pah h GLY 256 CO 0.00 0.14 0.07 -1.33 0.00 0.00 0.00 176.54 175.42 1pah h GLY 257 N 0.96 0.18 2.00 4.60 0.00 -1.33 -1.57 103.07 107.91 1pah h GLY 257 Ca 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 1pah h GLY 257 CO -0.27 0.07 -0.08 1.41 0.00 0.00 0.00 176.54 177.66 1pah h LEU 258 N 0.17 0.00 -2.04 3.11 3.38 -1.08 -1.34 115.31 117.51 1pah h LEU 258 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1pah h LEU 258 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pah h LEU 258 CO -0.01 0.08 0.02 0.00 0.09 0.00 0.00 178.44 178.62 1pah h ALA 259 N 1.92 1.98 -0.72 1.53 0.00 -1.34 0.14 119.26 122.76 1pah h ALA 259 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pah h ALA 259 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pah h ALA 259 CO 0.01 -0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.42 1pah n PHE 260 N -4.47 0.98 -3.58 0.00 3.01 -0.59 -4.86 117.46 107.94 1pah n PHE 260 Ca -0.02 -0.49 -0.23 0.00 1.01 0.00 0.00 57.45 57.72 1pah n PHE 260 Cb 0.11 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.66 1pah n PHE 260 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pah n ARG 261 N 1.61 -7.80 -4.88 -1.08 1.74 0.04 -4.89 116.66 101.40 1pah n ARG 261 Ca 0.24 0.83 -0.33 0.00 -0.77 0.00 0.00 57.85 57.83 1pah n ARG 261 Cb 0.61 -5.88 -0.16 0.00 -1.02 0.00 0.00 32.46 26.01 1pah n ARG 261 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pah s VAL 262 N -3.33 2.54 -0.19 1.55 1.01 -0.68 -1.03 120.40 120.28 1pah s VAL 262 Ca 0.51 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1pah s VAL 262 Cb -0.22 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1pah s VAL 262 CO 0.73 0.54 -0.08 0.12 0.00 0.00 0.00 175.10 176.41 1pah s PHE 263 N 0.47 2.91 -0.20 5.22 5.36 0.38 -3.13 117.98 129.00 1pah s PHE 263 Ca -0.12 -0.89 -0.26 0.00 -0.96 0.00 0.00 56.93 54.69 1pah s PHE 263 Cb -0.17 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1pah s PHE 263 CO 0.05 -0.46 0.89 -1.01 -1.46 0.00 0.00 175.22 173.23 1pah s HIS 264 N 1.14 3.37 0.01 10.12 3.76 -1.26 -1.70 115.29 130.73 1pah s HIS 264 Ca 0.01 1.29 0.01 0.00 -0.15 0.00 0.00 55.06 56.22 1pah s HIS 264 Cb -0.14 -3.10 -0.01 0.00 1.11 0.00 0.00 32.58 30.43 1pah s HIS 264 CO -0.02 -0.35 -0.03 0.00 -0.85 0.00 0.00 174.74 173.49 1pah s THR 266 N -0.85 3.11 -0.13 0.00 -4.23 -1.26 -1.87 115.64 110.42 1pah s THR 266 Ca -0.08 0.69 0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1pah s THR 266 Cb -0.06 -3.28 -0.11 0.00 1.34 0.00 0.00 72.50 70.40 1pah s THR 266 CO -0.00 -0.15 0.22 1.67 -0.54 0.00 0.00 174.62 175.82 1pah n GLN 267 N -1.33 1.73 -2.24 3.99 7.27 -1.26 -4.23 117.38 121.31 1pah n GLN 267 Ca 0.12 -0.05 -0.28 0.00 0.07 0.00 0.00 57.00 56.87 1pah n GLN 267 Cb 0.51 -1.07 0.04 0.00 2.41 0.00 0.00 30.24 32.13 1pah n GLN 267 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 1pah s TYR 268 N -2.25 3.25 0.17 3.69 -0.85 -1.26 -4.71 117.35 115.39 1pah s TYR 268 Ca -0.01 0.75 0.10 0.00 -0.52 0.00 0.00 57.07 57.39 1pah s TYR 268 Cb 0.05 -2.86 -0.04 0.00 0.38 0.00 0.00 41.96 39.49 1pah s TYR 268 CO 0.32 -0.96 -0.17 -1.50 -1.52 0.00 0.00 175.55 171.72 1pah s ILE 269 N -3.11 2.81 1.02 -3.49 2.07 -1.26 0.20 121.20 119.43 1pah s ILE 269 Ca 0.55 -1.75 -0.11 0.00 -1.41 0.00 0.00 60.65 57.93 1pah s ILE 269 Cb -0.11 -2.35 0.20 0.00 0.13 0.00 0.00 42.46 40.34 1pah s ILE 269 CO 0.47 -0.06 1.07 -2.11 -1.91 0.00 0.00 174.94 172.40 1pah n ARG 270 N 0.32 -1.25 -2.05 3.50 1.85 -1.26 -4.93 116.66 112.83 1pah n ARG 270 Ca -0.13 -0.31 -0.41 0.00 -1.00 0.00 0.00 57.85 56.00 1pah n ARG 270 Cb 0.55 -2.28 -0.02 0.00 -1.05 0.00 0.00 32.46 29.66 1pah n ARG 270 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1pah s HIS 271 N -2.54 3.01 -0.53 2.89 5.65 -1.26 -4.91 115.29 117.60 1pah s HIS 271 Ca 0.67 1.23 0.19 0.00 0.25 0.00 0.00 55.06 57.40 1pah s HIS 271 Cb -0.24 -3.76 0.88 0.00 -1.18 0.00 0.00 32.58 28.28 1pah s HIS 271 CO 0.61 -2.28 1.58 0.41 -0.65 0.00 0.00 174.74 174.42 1pah n GLY 272 N 1.44 -1.04 0.19 1.59 0.00 -1.26 -3.19 105.19 102.93 1pah n GLY 272 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1pah n GLY 272 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pah h SER 273 N 0.00 0.03 -2.46 1.61 4.64 -1.91 -3.35 113.55 112.10 1pah h SER 273 Ca 0.00 -0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.72 1pah h SER 273 Cb 0.20 -0.01 -0.39 0.00 -0.31 0.00 0.00 62.40 61.90 1pah h SER 273 CO 0.00 0.37 -0.89 0.29 -0.87 0.00 0.00 176.83 175.73 1pah n LYS 274 N -4.13 0.72 0.26 4.77 5.02 -1.19 -5.00 118.16 118.61 1pah n LYS 274 Ca -0.02 -3.53 0.11 0.00 -2.02 0.00 0.00 58.31 52.85 1pah n LYS 274 Cb 0.39 -1.77 0.74 0.00 -0.02 0.00 0.00 35.03 34.36 1pah n LYS 274 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1pah h PRO 275 N 5.30 0.00 -0.53 1.97 0.13 -1.73 -1.83 132.00 135.30 1pah h PRO 275 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1pah h PRO 275 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1pah h PRO 275 CO 0.48 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 176.92 1pah n MET 276 N -4.29 2.32 -4.27 0.86 2.81 -1.26 -4.72 117.12 108.57 1pah n MET 276 Ca -0.03 -1.88 -0.17 0.00 -1.81 0.00 0.00 57.70 53.82 1pah n MET 276 Cb 0.11 -1.46 -0.14 0.00 -0.71 0.00 0.00 33.22 31.02 1pah n MET 276 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1pah s TYR 277 N -1.40 0.70 -0.24 2.03 5.04 -0.69 -4.90 117.35 117.90 1pah s TYR 277 Ca 0.35 -0.17 -0.11 0.00 -2.44 0.00 0.00 57.07 54.69 1pah s TYR 277 Cb 0.19 -0.45 0.09 0.00 0.35 0.00 0.00 41.96 42.14 1pah s TYR 277 CO 0.22 -0.01 0.55 -0.08 -1.34 0.00 0.00 175.55 174.89 1pah s THR 278 N -0.32 -0.31 -2.02 4.34 -1.32 -1.26 -4.82 115.64 109.93 1pah s THR 278 Ca 0.02 0.06 0.17 0.00 -1.21 0.00 0.00 61.69 60.72 1pah s THR 278 Cb -0.04 -0.82 0.46 0.00 -1.51 0.00 0.00 72.50 70.59 1pah s THR 278 CO -0.00 0.02 1.62 -0.81 -2.21 0.00 0.00 174.62 173.24 1pah n PRO 279 N 4.71 1.07 -3.87 7.08 -0.04 -1.26 -4.86 135.00 137.83 1pah n PRO 279 Ca -0.17 -0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.10 1pah n PRO 279 Cb 0.54 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 1pah n PRO 279 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1pah s GLU 280 N -1.98 1.69 0.50 0.54 -1.05 -1.26 -5.13 118.70 112.02 1pah s GLU 280 Ca 0.25 -1.03 -0.20 0.00 -0.15 0.00 0.00 54.97 53.84 1pah s GLU 280 Cb 0.12 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 34.30 1pah s GLU 280 CO 0.20 -0.76 1.06 -1.25 0.95 0.00 0.00 175.26 175.46 1pah s PRO 281 N -3.94 3.68 0.34 -4.83 0.04 -1.26 -5.01 135.00 124.02 1pah s PRO 281 Ca 0.13 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1pah s PRO 281 Cb -0.04 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1pah s PRO 281 CO 0.06 -0.54 0.39 0.16 0.04 0.00 0.00 177.00 177.11 1pah s ASP 282 N -1.92 1.28 0.46 6.66 -4.77 -1.26 -4.94 116.67 112.17 1pah s ASP 282 Ca 0.69 -1.62 0.18 0.00 -3.30 0.00 0.00 52.55 48.49 1pah s ASP 282 Cb -0.18 0.62 1.14 0.00 -1.09 0.00 0.00 42.92 43.40 1pah s ASP 282 CO 0.22 -1.19 1.97 -0.29 0.70 0.00 0.00 175.17 176.57 1pah h ILE 283 N 2.12 0.82 -0.41 2.11 2.10 -0.42 -1.93 117.51 121.90 1pah h ILE 283 Ca -0.27 -0.10 -0.02 0.00 1.08 0.00 0.00 64.86 65.55 1pah h ILE 283 Cb 1.24 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.46 1pah h ILE 283 CO 0.38 0.05 0.17 0.00 -1.08 0.00 0.00 178.15 177.67 1pah h HIS 285 N 0.52 0.67 0.17 0.00 -0.00 -1.71 -1.12 115.15 113.68 1pah h HIS 285 Ca 0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1pah h HIS 285 Cb 0.18 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1pah h HIS 285 CO -0.00 0.60 -0.08 0.93 -0.00 0.00 0.00 177.93 179.38 1pah h GLU 286 N 0.55 -0.22 -0.25 5.26 4.39 -1.17 0.11 114.58 123.24 1pah h GLU 286 Ca 0.14 0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 1pah h GLU 286 Cb 0.23 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1pah h GLU 286 CO -0.01 -0.03 -0.51 -0.07 -1.16 0.00 0.00 179.01 177.23 1pah h LEU 287 N -0.38 0.89 0.00 1.33 3.38 -1.12 -1.39 115.31 118.02 1pah h LEU 287 Ca -0.02 -0.54 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 1pah h LEU 287 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1pah h LEU 287 CO 0.04 1.27 -1.31 0.18 0.09 0.00 0.00 178.44 178.71 1pah n LEU 288 N -4.08 0.83 -0.11 1.67 4.77 -0.43 -4.23 117.00 115.42 1pah n LEU 288 Ca -0.05 0.35 -0.20 0.00 -0.03 0.00 0.00 56.01 56.08 1pah n LEU 288 Cb 0.61 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1pah n LEU 288 CO 0.49 0.04 -0.92 0.61 -1.33 0.00 0.00 177.39 176.28 1pah n GLY 289 N 1.33 -0.63 0.06 -0.72 0.00 0.01 -4.66 105.19 100.58 1pah n GLY 289 Ca -0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1pah n GLY 289 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1pah h HIS 290 N -1.00 0.00 -0.90 1.61 3.86 -1.16 -3.38 115.15 114.19 1pah h HIS 290 Ca -0.38 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 58.96 1pah h HIS 290 Cb 1.27 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.60 1pah h HIS 290 CO -0.13 0.33 -0.41 0.28 0.86 0.00 0.00 177.93 178.86 1pah h VAL 291 N -1.00 0.03 -0.97 2.45 2.07 -1.46 -1.70 116.25 115.67 1pah h VAL 291 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1pah h VAL 291 Cb 0.44 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 1pah h VAL 291 CO -0.02 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 177.53 1pah h PRO 292 N -0.05 0.77 -0.06 1.57 0.11 -1.81 -0.80 132.00 131.72 1pah h PRO 292 Ca 0.29 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.23 1pah h PRO 292 Cb 0.56 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1pah h PRO 292 CO -0.91 0.51 -0.53 -0.07 -0.21 0.00 0.00 178.00 176.79 1pah h LEU 293 N 0.79 0.20 0.00 2.35 -0.00 -1.57 -2.41 115.31 114.67 1pah h LEU 293 Ca 0.51 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1pah h LEU 293 Cb 0.75 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1pah h LEU 293 CO -0.28 0.69 0.00 0.49 -0.00 0.00 0.00 178.44 179.34 1pah n PHE 294 N -3.92 0.00 1.07 1.13 3.72 -0.32 -1.43 117.46 117.70 1pah n PHE 294 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1pah n PHE 294 Cb 0.56 -0.41 0.46 0.00 -0.94 0.00 0.00 39.48 39.15 1pah n PHE 294 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pah n SER 295 N -1.41 0.29 -4.74 4.37 3.41 -0.91 -4.63 113.62 110.00 1pah n SER 295 Ca 0.04 0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.30 1pah n SER 295 Cb 0.13 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1pah n SER 295 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pah s ASP 296 N -2.91 6.41 0.20 4.04 2.15 -0.52 -4.62 116.67 121.42 1pah s ASP 296 Ca 0.15 0.48 -0.10 0.00 0.43 0.00 0.00 52.55 53.51 1pah s ASP 296 Cb 0.19 -2.17 0.21 0.00 -0.30 0.00 0.00 42.92 40.85 1pah s ASP 296 CO 0.59 0.13 1.81 0.03 -0.17 0.00 0.00 175.17 177.56 1pah h ARG 297 N 6.53 0.65 -0.37 4.34 3.08 -1.87 0.56 114.38 127.31 1pah h ARG 297 Ca -0.42 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 1pah h ARG 297 Cb 1.17 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1pah h ARG 297 CO 0.74 0.43 0.14 0.77 -1.07 0.00 0.00 179.97 180.99 1pah h SER 298 N 0.67 0.51 -0.46 7.04 0.02 -1.94 -0.67 113.55 118.73 1pah h SER 298 Ca 0.28 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1pah h SER 298 Cb 0.14 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1pah h SER 298 CO -0.16 0.54 -0.09 0.15 -1.14 0.00 0.00 176.83 176.13 1pah h PHE 299 N 0.45 0.97 -0.65 3.45 3.57 -1.77 -1.04 116.94 121.92 1pah h PHE 299 Ca 0.12 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.48 1pah h PHE 299 Cb 0.19 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1pah h PHE 299 CO -0.00 0.95 0.35 0.00 -2.23 0.00 0.00 178.31 177.38 1pah h ALA 300 N 0.88 0.87 -0.43 2.41 0.00 -0.68 0.22 119.26 122.54 1pah h ALA 300 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1pah h ALA 300 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pah h ALA 300 CO 0.04 0.00 0.06 1.96 0.00 0.00 0.00 179.25 181.32 1pah h GLN 301 N 0.63 0.71 -0.09 0.00 4.20 -0.92 -1.74 115.11 117.90 1pah h GLN 301 Ca 0.30 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.84 1pah h GLN 301 Cb 0.22 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1pah h GLN 301 CO -0.20 0.75 -0.05 0.35 -0.67 0.00 0.00 178.83 179.01 1pah h PHE 302 N 0.56 -0.11 -0.65 2.96 3.57 -0.17 -1.71 116.94 121.39 1pah h PHE 302 Ca 0.13 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1pah h PHE 302 Cb 0.38 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1pah h PHE 302 CO 0.03 -0.08 0.37 0.77 -2.23 0.00 0.00 178.31 177.17 1pah h SER 303 N -0.04 0.55 -0.10 0.41 0.02 -0.49 -2.04 113.55 111.86 1pah h SER 303 Ca 0.05 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1pah h SER 303 Cb 0.12 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1pah h SER 303 CO -0.12 0.36 -0.10 -0.61 -1.14 0.00 0.00 176.83 175.22 1pah h GLN 304 N 0.68 0.41 -0.65 3.45 4.15 -1.08 -2.03 115.11 120.04 1pah h GLN 304 Ca 0.29 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 1pah h GLN 304 Cb 0.16 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1pah h GLN 304 CO -0.17 0.52 0.18 1.49 -1.93 0.00 0.00 178.83 178.92 1pah h GLU 305 N 0.39 1.01 -0.37 1.69 4.57 -0.59 0.21 114.58 121.48 1pah h GLU 305 Ca 0.08 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1pah h GLU 305 Cb 0.42 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1pah h GLU 305 CO 0.02 0.88 0.09 0.82 -1.18 0.00 0.00 179.01 179.65 1pah h ILE 306 N 0.97 1.22 -0.86 2.32 2.04 -1.18 -1.42 117.51 120.60 1pah h ILE 306 Ca 0.21 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.36 1pah h ILE 306 Cb 0.31 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1pah h ILE 306 CO -0.00 0.26 0.54 1.23 0.00 0.00 0.00 178.15 180.18 1pah h GLY 307 N 0.45 1.26 1.78 5.37 0.00 -0.60 -2.49 103.07 108.83 1pah h GLY 307 Ca 0.12 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 1pah h GLY 307 CO 0.00 0.33 -0.60 1.41 0.00 0.00 0.00 176.54 177.68 1pah h LEU 308 N 1.04 0.26 -2.33 3.11 3.38 -0.39 -2.97 115.31 117.41 1pah h LEU 308 Ca 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1pah h LEU 308 Cb 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1pah h LEU 308 CO -0.13 0.80 -0.04 0.00 0.09 0.00 0.00 178.44 179.16 1pah h ALA 309 N 1.20 1.34 0.00 1.53 0.00 -0.80 -3.00 119.26 119.53 1pah h ALA 309 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pah h ALA 309 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1pah h ALA 309 CO 0.09 0.05 -1.25 -1.13 0.00 0.00 0.00 179.25 177.01 1pah n SER 310 N -3.62 0.56 -4.58 0.00 3.41 -1.12 -4.60 113.62 103.66 1pah n SER 310 Ca -0.02 0.07 -0.45 0.00 -0.26 0.00 0.00 58.87 58.21 1pah n SER 310 Cb 0.14 0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 64.98 1pah n SER 310 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pah n LEU 311 N -2.34 3.12 -0.28 1.04 4.77 -1.14 -1.46 117.00 120.73 1pah n LEU 311 Ca -0.00 0.41 -0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1pah n LEU 311 Cb 0.52 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1pah n LEU 311 CO 0.41 -0.53 -0.03 0.61 -1.33 0.00 0.00 177.39 176.52 1pah n GLY 312 N 5.66 0.59 3.80 -0.72 0.00 -1.26 -5.01 105.19 108.25 1pah n GLY 312 Ca 0.31 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1pah n GLY 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pah s ALA 313 N -1.85 3.11 0.63 4.61 0.00 -0.53 -4.58 121.76 123.14 1pah s ALA 313 Ca 0.00 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 1pah s ALA 313 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1pah s ALA 313 CO 0.00 0.09 1.22 -2.14 0.00 0.00 0.00 175.76 174.93 1pah s PRO 314 N -2.63 2.74 0.29 0.00 0.02 -1.26 -4.71 135.00 129.44 1pah s PRO 314 Ca 0.57 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.46 1pah s PRO 314 Cb -0.15 -1.90 0.73 0.00 0.02 0.00 0.00 34.50 33.21 1pah s PRO 314 CO 0.19 -1.39 1.65 -0.44 -0.33 0.00 0.00 177.00 176.69 1pah h ASP 315 N 0.58 0.07 0.40 2.53 3.32 -1.99 0.22 116.42 121.55 1pah h ASP 315 Ca -0.50 0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1pah h ASP 315 Cb 1.30 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 41.09 1pah h ASP 315 CO 0.54 -0.14 -0.09 1.05 -1.72 0.00 0.00 179.24 178.88 1pah h GLU 316 N 0.24 0.00 0.00 3.56 9.09 -2.00 -2.44 114.58 123.02 1pah h GLU 316 Ca 0.56 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.72 1pah h GLU 316 Cb 1.14 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.20 1pah h GLU 316 CO -0.64 0.09 -1.37 1.88 0.05 0.00 0.00 179.01 179.02 1pah h TYR 317 N 0.00 0.00 -0.78 2.06 0.05 -0.94 -3.04 116.97 114.33 1pah h TYR 317 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1pah h TYR 317 Cb 0.32 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 1pah h TYR 317 CO 0.00 1.00 0.44 0.82 -1.05 0.00 0.00 178.16 179.37 1pah h ILE 318 N 0.00 1.23 -0.32 -2.88 1.08 -0.94 0.21 117.51 115.88 1pah h ILE 318 Ca -0.16 -0.55 -0.11 0.00 -0.39 0.00 0.00 64.86 63.66 1pah h ILE 318 Cb 1.90 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 1pah h ILE 318 CO 0.10 0.25 -0.25 -0.08 -0.69 0.00 0.00 178.15 177.49 1pah h GLU 319 N 1.09 0.63 -0.50 2.37 4.22 -1.49 0.22 114.58 121.12 1pah h GLU 319 Ca 0.28 -0.25 -0.13 0.00 0.08 0.00 0.00 59.36 59.34 1pah h GLU 319 Cb 0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1pah h GLU 319 CO -0.05 0.82 -0.18 0.87 -2.18 0.00 0.00 179.01 178.30 1pah h LYS 320 N 0.55 0.99 -0.46 1.92 1.57 -1.22 -1.72 116.57 118.21 1pah h LYS 320 Ca 0.08 -0.40 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 1pah h LYS 320 Cb 0.72 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1pah h LYS 320 CO 0.05 1.08 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.78 1pah h LEU 321 N 0.87 0.88 -1.09 2.94 3.38 -0.60 -1.85 115.31 119.83 1pah h LEU 321 Ca 0.12 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1pah h LEU 321 Cb 0.75 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1pah h LEU 321 CO 0.06 1.04 0.25 0.00 0.09 0.00 0.00 178.44 179.88 1pah h ALA 322 N 1.04 1.29 -0.06 1.53 0.00 -0.42 -0.19 119.26 122.44 1pah h ALA 322 Ca 0.12 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1pah h ALA 322 Cb 0.69 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1pah h ALA 322 CO 0.05 0.53 -0.55 1.15 0.00 0.00 0.00 179.25 180.43 1pah h THR 323 N 0.88 1.37 -0.21 0.00 2.02 -0.83 -1.32 112.91 114.83 1pah h THR 323 Ca 0.21 -1.86 -0.19 0.00 0.77 0.00 0.00 66.41 65.33 1pah h THR 323 Cb 0.16 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1pah h THR 323 CO -0.02 0.55 -0.64 0.40 0.37 0.00 0.00 175.52 176.18 1pah h ILE 324 N 0.14 1.29 -0.35 3.11 2.04 -0.81 -2.61 117.51 120.32 1pah h ILE 324 Ca -0.00 -1.86 0.02 0.00 1.00 0.00 0.00 64.86 64.02 1pah h ILE 324 Cb 1.01 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1pah h ILE 324 CO 0.08 0.59 0.20 0.22 0.00 0.00 0.00 178.15 179.24 1pah h TYR 325 N 0.55 0.36 -0.61 1.37 5.03 -0.81 -1.94 116.97 120.92 1pah h TYR 325 Ca -0.01 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.38 1pah h TYR 325 Cb 1.24 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 39.35 1pah h TYR 325 CO 0.07 0.21 0.30 2.35 -1.32 0.00 0.00 178.16 179.77 1pah h TRP 326 N 0.40 0.54 -0.03 -3.82 2.91 -1.16 -0.37 115.95 114.42 1pah h TRP 326 Ca 0.14 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1pah h TRP 326 Cb 0.02 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 1pah h TRP 326 CO -0.08 0.23 0.00 1.19 -1.03 0.00 0.00 178.44 178.74 1pah n PHE 327 N -4.88 0.03 0.00 2.65 3.72 -0.94 -0.50 117.46 117.54 1pah n PHE 327 Ca 0.08 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1pah n PHE 327 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1pah n PHE 327 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1pah n THR 328 N -0.51 0.00 -0.26 4.37 -2.24 -0.77 -3.22 114.28 111.64 1pah n THR 328 Ca 0.19 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1pah n THR 328 Cb 0.18 -0.34 0.36 0.00 -2.10 0.00 0.00 70.33 68.43 1pah n THR 328 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1pah h VAL 329 N 0.00 0.89 0.02 2.28 2.07 -1.31 0.23 116.25 120.43 1pah h VAL 329 Ca 0.00 -0.26 -0.22 0.00 0.82 0.00 0.00 66.70 67.04 1pah h VAL 329 Cb 0.00 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1pah h VAL 329 CO 0.00 0.14 -1.20 -0.33 0.02 0.00 0.00 177.57 176.19 1pah h GLU 330 N 0.74 0.04 0.00 1.57 4.39 -1.43 0.21 114.58 120.10 1pah h GLU 330 Ca 0.42 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 1pah h GLU 330 Cb 0.59 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.20 1pah h GLU 330 CO -0.19 1.04 -0.48 1.19 -1.16 0.00 0.00 179.01 179.41 1pah n PHE 331 N -4.33 0.00 -2.45 4.33 3.72 0.35 0.12 117.46 119.20 1pah n PHE 331 Ca -0.29 -1.12 -0.34 0.00 -0.05 0.00 0.00 57.45 55.66 1pah n PHE 331 Cb 0.71 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 1pah n PHE 331 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pah s GLY 332 N -2.80 2.40 0.10 1.37 0.00 0.82 -4.67 107.32 104.55 1pah s GLY 332 Ca 0.33 0.53 0.09 0.00 0.00 0.00 0.00 44.72 45.67 1pah s GLY 332 CO -0.06 0.84 -0.23 1.08 0.00 0.00 0.00 173.10 174.73 1pah s LEU 333 N -3.71 2.29 0.03 0.66 1.02 -1.10 -1.37 118.68 116.50 1pah s LEU 333 Ca 0.66 -0.69 0.00 0.00 0.02 0.00 0.00 54.13 54.12 1pah s LEU 333 Cb -0.15 -1.04 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 1pah s LEU 333 CO 0.24 0.12 -0.03 0.00 0.02 0.00 0.00 176.35 176.69 1pah s LYS 335 N -1.84 4.65 -0.16 0.00 1.02 -0.22 -0.96 119.74 122.23 1pah s LYS 335 Ca -0.12 1.71 -0.04 0.00 0.02 0.00 0.00 55.97 57.53 1pah s LYS 335 Cb -0.07 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.07 1pah s LYS 335 CO -0.02 0.20 0.27 -1.14 -0.92 0.00 0.00 175.35 173.74 1pah s GLN 336 N -0.88 0.19 7.75 1.68 0.74 0.82 -4.79 119.66 125.17 1pah s GLN 336 Ca 0.46 0.63 0.00 0.00 0.05 0.00 0.00 55.36 56.50 1pah s GLN 336 Cb -0.30 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.51 1pah s GLN 336 CO 0.37 -0.40 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 1pah n GLY 337 N 5.35 3.24 1.07 2.59 0.00 -1.26 0.50 105.19 116.68 1pah n GLY 337 Ca -0.06 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1pah n GLY 337 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pah n ASP 338 N 5.62 4.20 -4.85 1.61 8.00 -1.26 -4.98 116.55 124.89 1pah n ASP 338 Ca 0.00 -2.96 -0.28 0.00 0.71 0.00 0.00 54.79 52.26 1pah n ASP 338 Cb 0.00 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 1pah n ASP 338 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1pah s SER 339 N -1.68 4.46 -0.05 -2.24 0.15 0.18 -5.14 113.70 109.38 1pah s SER 339 Ca 0.44 -1.35 0.04 0.00 0.70 0.00 0.00 55.95 55.77 1pah s SER 339 Cb 0.35 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1pah s SER 339 CO 0.11 -0.98 -0.17 -0.63 1.20 0.00 0.00 173.24 172.77 1pah s ILE 340 N -2.79 1.42 0.15 6.45 1.01 -1.26 -0.12 121.20 126.05 1pah s ILE 340 Ca 0.26 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1pah s ILE 340 Cb -0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1pah s ILE 340 CO 0.16 0.41 -0.11 -0.54 0.00 0.00 0.00 174.94 174.85 1pah s LYS 341 N 0.20 1.07 -0.01 2.79 -0.14 -0.14 -4.94 119.74 118.58 1pah s LYS 341 Ca -0.07 -1.41 -0.15 0.00 -1.36 0.00 0.00 55.97 52.97 1pah s LYS 341 Cb -0.13 -0.73 -0.06 0.00 -1.68 0.00 0.00 37.83 35.23 1pah s LYS 341 CO 0.03 0.11 0.43 0.00 -0.76 0.00 0.00 175.35 175.16 1pah s ALA 342 N -3.00 3.67 0.00 5.17 0.00 -0.58 0.27 121.76 127.29 1pah s ALA 342 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1pah s ALA 342 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1pah s ALA 342 CO 0.02 0.43 0.05 2.48 0.00 0.00 0.00 175.76 178.73 1pah n TYR 343 N 1.99 0.00 -2.08 0.00 0.18 -0.74 -1.40 117.16 115.12 1pah n TYR 343 Ca -0.13 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.24 1pah n TYR 343 Cb 0.52 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.45 1pah n TYR 343 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1pah s GLY 344 N -0.33 2.28 0.37 -7.48 0.00 -0.47 -4.82 107.32 96.88 1pah s GLY 344 Ca 0.00 1.25 0.07 0.00 0.00 0.00 0.00 44.72 46.04 1pah s GLY 344 CO 0.00 2.25 1.92 0.00 0.00 0.00 0.00 173.10 177.27 1pah h ALA 345 N 5.38 1.49 0.00 3.20 0.00 0.49 -0.45 119.26 129.37 1pah h ALA 345 Ca -0.45 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 1pah h ALA 345 Cb 1.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1pah h ALA 345 CO 0.79 0.37 -0.52 0.78 0.00 0.00 0.00 179.25 180.67 1pah h GLY 346 N 0.73 0.00 0.93 0.00 0.00 0.71 -2.78 103.07 102.66 1pah h GLY 346 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.10 1pah h GLY 346 CO 0.01 0.00 -1.47 1.41 0.00 0.00 0.00 176.54 176.49 1pah h LEU 347 N 0.00 0.64 -0.53 3.11 3.38 -1.37 -3.24 115.31 117.30 1pah h LEU 347 Ca -0.01 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1pah h LEU 347 Cb 0.99 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1pah h LEU 347 CO 0.07 1.68 0.00 0.18 0.09 0.00 0.00 178.44 180.46 1pah n LEU 348 N -3.77 0.50 -0.47 1.67 4.77 -0.23 -2.22 117.00 117.25 1pah n LEU 348 Ca -0.21 0.62 0.06 0.00 -0.03 0.00 0.00 56.01 56.46 1pah n LEU 348 Cb 1.02 -0.56 0.15 0.00 -2.33 0.00 0.00 43.42 41.70 1pah n LEU 348 CO 0.52 -0.49 0.61 -1.54 -1.33 0.00 0.00 177.39 175.17 1pah n SER 349 N -2.05 2.90 -3.89 -1.43 3.41 -1.05 -4.62 113.62 106.89 1pah n SER 349 Ca 0.02 -2.48 -0.30 0.00 -0.26 0.00 0.00 58.87 55.85 1pah n SER 349 Cb 0.21 -0.31 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 1pah n SER 349 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pah s SER 350 N -1.60 3.73 0.15 4.04 0.15 -0.94 -4.88 113.70 114.35 1pah s SER 350 Ca 0.25 -1.19 -0.17 0.00 0.70 0.00 0.00 55.95 55.54 1pah s SER 350 Cb 0.19 -1.07 0.05 0.00 -1.71 0.00 0.00 66.02 63.48 1pah s SER 350 CO 0.08 -0.27 1.73 0.15 1.20 0.00 0.00 173.24 176.13 1pah h PHE 351 N 8.00 0.09 0.50 3.44 3.57 -1.91 -0.90 116.94 129.73 1pah h PHE 351 Ca -0.17 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1pah h PHE 351 Cb 1.07 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1pah h PHE 351 CO 0.45 0.01 -0.24 0.78 -2.23 0.00 0.00 178.31 177.08 1pah h GLY 352 N 0.17 -0.70 2.00 2.40 0.00 -1.94 -3.19 103.07 101.81 1pah h GLY 352 Ca 0.16 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 1pah h GLY 352 CO -0.21 -0.25 -0.27 -2.09 0.00 0.00 0.00 176.54 173.71 1pah h GLU 353 N -0.83 0.00 -0.22 4.80 4.81 -1.88 -2.18 114.58 119.07 1pah h GLU 353 Ca -0.07 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1pah h GLU 353 Cb 0.58 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1pah h GLU 353 CO 0.11 0.27 -0.17 1.25 -0.73 0.00 0.00 179.01 179.74 1pah h LEU 354 N 0.00 0.37 0.14 1.64 5.85 -1.19 0.12 115.31 122.24 1pah h LEU 354 Ca -0.00 -0.10 -0.28 0.00 0.84 0.00 0.00 57.88 58.34 1pah h LEU 354 Cb 0.56 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1pah h LEU 354 CO 0.03 0.57 -1.26 1.56 -0.34 0.00 0.00 178.44 179.00 1pah h GLN 355 N 0.35 0.31 -0.10 1.25 4.20 -1.49 -3.35 115.11 116.28 1pah h GLN 355 Ca 0.06 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 58.22 1pah h GLN 355 Cb 0.51 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1pah h GLN 355 CO 0.03 1.25 -0.10 -0.92 -0.67 0.00 0.00 178.83 178.42 1pah h TYR 356 N 0.09 0.28 -0.04 2.96 3.20 -1.07 -3.28 116.97 119.11 1pah h TYR 356 Ca -0.15 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.65 1pah h TYR 356 Cb 1.99 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 40.20 1pah h TYR 356 CO 0.07 0.66 0.23 0.00 -1.64 0.00 0.00 178.16 177.49 1pah n LEU 358 N -3.07 3.68 0.00 0.00 4.77 -1.24 -4.87 117.00 116.28 1pah n LEU 358 Ca -0.01 -3.24 -0.17 0.00 -0.03 0.00 0.00 56.01 52.56 1pah n LEU 358 Cb 0.30 -0.55 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1pah n LEU 358 CO 0.17 0.84 0.30 -1.54 -1.33 0.00 0.00 177.39 175.83 1pah n SER 359 N -0.84 1.84 0.21 -1.43 3.41 0.03 -5.02 113.62 111.83 1pah n SER 359 Ca 0.24 -2.33 0.14 0.00 -0.26 0.00 0.00 58.87 56.65 1pah n SER 359 Cb 0.89 -0.35 0.39 0.00 -0.26 0.00 0.00 64.21 64.88 1pah n SER 359 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1pah h GLU 360 N 0.00 0.00 0.23 4.33 4.11 -1.94 -3.37 114.58 117.94 1pah h GLU 360 Ca -0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.18 1pah h GLU 360 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1pah h GLU 360 CO 0.34 0.00 -0.11 0.87 0.07 0.00 0.00 179.01 180.18 1pah h LYS 361 N 0.00 -0.29 -7.22 1.06 1.57 -1.96 -3.45 116.57 106.27 1pah h LYS 361 Ca 0.00 0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.28 1pah h LYS 361 Cb 0.75 0.07 0.15 0.00 0.08 0.00 0.00 32.23 33.28 1pah h LYS 361 CO 0.00 -0.18 0.34 -1.25 -0.57 0.00 0.00 179.45 177.80 1pah s PRO 362 N -6.03 2.12 -0.18 3.15 0.04 -1.26 -5.00 135.00 127.83 1pah s PRO 362 Ca -0.15 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 1pah s PRO 362 Cb 0.05 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1pah s PRO 362 CO 0.64 -1.80 0.27 0.21 0.04 0.00 0.00 177.00 176.36 1pah s LYS 363 N -4.26 4.22 -0.21 4.56 2.47 -0.68 -4.99 119.74 120.84 1pah s LYS 363 Ca 0.69 0.02 -0.05 0.00 -1.56 0.00 0.00 55.97 55.07 1pah s LYS 363 Cb -0.24 -3.46 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 1pah s LYS 363 CO 0.48 0.18 0.01 -0.51 0.16 0.00 0.00 175.35 175.67 1pah s LEU 364 N 0.65 3.23 0.19 5.43 1.02 -1.26 -1.21 118.68 126.73 1pah s LEU 364 Ca 0.15 -0.23 0.09 0.00 0.02 0.00 0.00 54.13 54.15 1pah s LEU 364 Cb -0.13 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 1pah s LEU 364 CO 0.04 0.03 -0.09 -0.76 0.02 0.00 0.00 176.35 175.59 1pah s LEU 365 N 1.20 2.99 0.35 1.79 1.43 -0.03 -4.98 118.68 121.44 1pah s LEU 365 Ca 0.03 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 1pah s LEU 365 Cb -0.15 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.32 1pah s LEU 365 CO 0.01 0.09 0.97 -2.84 0.23 0.00 0.00 176.35 174.82 1pah s PRO 366 N -2.93 4.47 0.01 1.29 0.02 -1.26 -0.93 135.00 135.67 1pah s PRO 366 Ca 0.26 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.35 1pah s PRO 366 Cb -0.08 -2.71 -0.09 0.00 0.02 0.00 0.00 34.50 31.64 1pah s PRO 366 CO 0.16 0.16 2.01 -0.11 -0.33 0.00 0.00 177.00 178.88 1pah n LEU 367 N 0.35 4.07 -3.49 -5.54 7.94 -0.40 -4.73 117.00 115.20 1pah n LEU 367 Ca 0.03 0.82 -0.25 0.00 -1.11 0.00 0.00 56.01 55.50 1pah n LEU 367 Cb 0.50 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.79 1pah n LEU 367 CO 0.44 0.11 -0.28 -1.61 -1.11 0.00 0.00 177.39 174.93 1pah s GLU 368 N 4.68 0.25 0.48 1.96 2.02 -1.26 -5.01 118.70 121.82 1pah s GLU 368 Ca 0.90 -0.45 0.24 0.00 0.02 0.00 0.00 54.97 55.68 1pah s GLU 368 Cb -0.43 -1.02 1.29 0.00 0.10 0.00 0.00 34.13 34.07 1pah s GLU 368 CO 0.41 -1.03 1.91 -0.07 0.02 0.00 0.00 175.26 176.50 1pah h LEU 369 N 8.30 0.18 -0.38 1.80 4.07 -1.93 0.27 115.31 127.62 1pah h LEU 369 Ca -0.17 0.02 0.06 0.00 0.08 0.00 0.00 57.88 57.87 1pah h LEU 369 Cb 1.03 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.70 1pah h LEU 369 CO 0.40 0.08 0.07 -0.08 -1.08 0.00 0.00 178.44 177.83 1pah h GLU 370 N 0.18 0.19 0.12 1.13 4.81 -1.97 -0.95 114.58 118.08 1pah h GLU 370 Ca 0.40 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 59.33 1pah h GLU 370 Cb 1.28 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1pah h GLU 370 CO -0.07 0.12 -1.48 -0.22 -0.73 0.00 0.00 179.01 176.63 1pah h LYS 371 N 0.19 0.25 -0.82 1.92 3.64 -1.62 -3.36 116.57 116.77 1pah h LYS 371 Ca 0.18 -0.43 0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1pah h LYS 371 Cb 0.22 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 1pah h LYS 371 CO -0.24 1.21 0.45 1.15 -2.27 0.00 0.00 179.45 179.75 1pah h THR 372 N -0.26 0.87 0.00 1.00 2.02 -0.51 -1.82 112.91 114.20 1pah h THR 372 Ca -0.32 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1pah h THR 372 Cb 1.80 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1pah h THR 372 CO 0.06 0.14 -0.04 0.00 0.37 0.00 0.00 175.52 176.05 1pah h ALA 373 N 1.47 1.56 -0.00 6.16 0.00 -1.33 -2.34 119.26 124.78 1pah h ALA 373 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pah h ALA 373 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pah h ALA 373 CO -0.27 0.04 -0.91 1.51 0.00 0.00 0.00 179.25 179.62 1pah n ILE 374 N -3.94 0.00 -1.90 0.00 3.06 -0.75 -4.62 119.36 111.22 1pah n ILE 374 Ca -0.03 -0.03 -0.39 0.00 -2.50 0.00 0.00 62.75 59.79 1pah n ILE 374 Cb 0.12 1.00 0.01 0.00 0.54 0.00 0.00 39.64 41.31 1pah n ILE 374 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 1pah s GLN 375 N -2.93 3.73 0.17 9.51 2.00 -0.79 -5.04 119.66 126.31 1pah s GLN 375 Ca 0.10 2.29 -0.01 0.00 -2.00 0.00 0.00 55.36 55.74 1pah s GLN 375 Cb 0.16 -2.64 -0.04 0.00 0.80 0.00 0.00 33.01 31.29 1pah s GLN 375 CO 0.82 -0.74 0.36 -0.80 -0.50 0.00 0.00 175.29 174.44 1pah s ASN 376 N -0.65 6.40 0.12 6.67 0.01 -1.26 -5.03 114.94 121.19 1pah s ASN 376 Ca 0.61 0.40 -0.06 0.00 -0.71 0.00 0.00 52.86 53.10 1pah s ASN 376 Cb -0.41 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 1pah s ASN 376 CO 0.52 -0.00 0.17 -0.72 -1.51 0.00 0.00 177.10 175.56 1pah s TYR 377 N -1.79 0.43 0.29 2.20 1.13 -1.26 -5.07 117.35 113.28 1pah s TYR 377 Ca 0.38 -0.84 0.06 0.00 -1.41 0.00 0.00 57.07 55.27 1pah s TYR 377 Cb -0.11 -0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 40.54 1pah s TYR 377 CO 0.28 -0.58 0.37 0.95 -2.51 0.00 0.00 175.55 174.06 1pah s THR 378 N -3.94 4.43 0.00 -3.49 -4.23 -1.26 -5.03 115.64 102.12 1pah s THR 378 Ca 0.13 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1pah s THR 378 Cb 0.05 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1pah s THR 378 CO -0.04 -0.24 0.21 0.55 -0.54 0.00 0.00 174.62 174.56 1pah n VAL 379 N -1.47 0.00 -0.01 2.29 3.14 -1.26 -4.75 118.33 116.27 1pah n VAL 379 Ca -0.04 -0.36 0.02 0.00 -2.96 0.00 0.00 64.34 61.00 1pah n VAL 379 Cb 0.58 1.16 -0.06 0.00 -1.06 0.00 0.00 33.84 34.46 1pah n VAL 379 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1pah n THR 380 N -0.29 0.11 -4.07 1.55 -1.04 -1.26 -5.05 114.28 104.23 1pah n THR 380 Ca 0.00 -0.22 -0.25 0.00 -2.04 0.00 0.00 64.05 61.54 1pah n THR 380 Cb 0.04 0.07 -0.06 0.00 -1.82 0.00 0.00 70.33 68.56 1pah n THR 380 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1pah s GLU 381 N -2.49 2.26 0.64 -2.82 2.56 -1.26 -5.10 118.70 112.49 1pah s GLU 381 Ca -0.03 -1.89 -0.17 0.00 0.00 0.00 0.00 54.97 52.89 1pah s GLU 381 Cb 0.05 -2.01 -0.01 0.00 2.00 0.00 0.00 34.13 34.15 1pah s GLU 381 CO 0.34 -0.24 1.16 -0.06 -0.56 0.00 0.00 175.26 175.90 1pah s PHE 382 N -2.64 2.43 0.06 5.30 0.08 -1.26 -4.87 117.98 117.09 1pah s PHE 382 Ca 0.38 1.55 -0.31 0.00 0.12 0.00 0.00 56.93 58.68 1pah s PHE 382 Cb 0.02 -3.34 -0.06 0.00 -0.57 0.00 0.00 43.02 39.07 1pah s PHE 382 CO 0.21 -2.02 1.21 -0.65 -0.10 0.00 0.00 175.22 173.87 1pah s GLN 383 N -3.72 4.43 0.29 0.44 -1.52 -1.26 -4.91 119.66 113.41 1pah s GLN 383 Ca 0.72 1.78 0.26 0.00 -1.95 0.00 0.00 55.36 56.17 1pah s GLN 383 Cb -0.26 -3.34 0.94 0.00 -0.22 0.00 0.00 33.01 30.13 1pah s GLN 383 CO 0.38 -0.26 1.76 -1.00 -0.25 0.00 0.00 175.29 175.91 1pah h PRO 384 N 6.80 0.00 -2.70 2.91 0.13 -1.95 -3.45 132.00 133.74 1pah h PRO 384 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1pah h PRO 384 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1pah h PRO 384 CO 0.81 0.00 -0.14 -0.48 -0.23 0.00 0.00 178.00 177.97 1pah s LEU 385 N -4.82 0.37 0.12 1.56 2.34 -1.26 -1.69 118.68 115.31 1pah s LEU 385 Ca 0.06 0.35 0.06 0.00 0.06 0.00 0.00 54.13 54.66 1pah s LEU 385 Cb 0.10 1.65 -0.04 0.00 -0.56 0.00 0.00 46.19 47.34 1pah s LEU 385 CO 0.49 -0.46 -0.14 -0.31 -1.06 0.00 0.00 176.35 174.87 1pah s TYR 386 N -1.12 1.38 -0.13 3.48 2.02 -0.35 -4.94 117.35 117.69 1pah s TYR 386 Ca -0.11 -0.57 -0.05 0.00 -0.37 0.00 0.00 57.07 55.97 1pah s TYR 386 Cb -0.04 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1pah s TYR 386 CO 0.05 0.14 0.03 0.71 -1.57 0.00 0.00 175.55 174.91 1pah s TYR 387 N -2.23 3.22 -0.20 2.71 2.02 -1.26 -0.85 117.35 120.76 1pah s TYR 387 Ca 0.09 0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.82 1pah s TYR 387 Cb -0.04 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1pah s TYR 387 CO 0.03 0.31 0.08 0.08 -1.57 0.00 0.00 175.55 174.47 1pah s VAL 388 N -0.27 4.78 0.10 0.71 1.01 -0.10 -2.72 120.40 123.91 1pah s VAL 388 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 1pah s VAL 388 Cb -0.12 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1pah s VAL 388 CO 0.02 0.42 0.37 0.00 0.00 0.00 0.00 175.10 175.91 1pah s ALA 389 N 0.67 3.78 0.13 5.51 0.00 0.01 -1.28 121.76 130.58 1pah s ALA 389 Ca 0.04 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 1pah s ALA 389 Cb -0.13 -2.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 1pah s ALA 389 CO 0.02 0.63 1.38 0.93 0.00 0.00 0.00 175.76 178.71 1pah h GLU 390 N 3.32 0.80 -1.80 0.00 4.39 -1.91 -0.58 114.58 118.80 1pah h GLU 390 Ca -0.48 -0.57 0.25 0.00 0.34 0.00 0.00 59.36 58.90 1pah h GLU 390 Cb 1.18 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.80 1pah h GLU 390 CO 0.69 1.19 0.69 -1.54 -1.16 0.00 0.00 179.01 178.88 1pah s SER 391 N -7.01 -0.14 0.24 1.42 1.04 -1.26 -4.35 113.70 103.63 1pah s SER 391 Ca -0.10 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1pah s SER 391 Cb 0.10 0.28 0.27 0.00 0.10 0.00 0.00 66.02 66.76 1pah s SER 391 CO 0.89 -0.50 1.59 -0.26 0.98 0.00 0.00 173.24 175.95 1pah h PHE 392 N 2.00 0.47 -0.52 5.02 0.04 -1.92 -1.45 116.94 120.58 1pah h PHE 392 Ca -0.24 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.31 1pah h PHE 392 Cb 1.21 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 1pah h PHE 392 CO 0.32 0.80 0.05 -0.91 -0.60 0.00 0.00 178.31 177.98 1pah h ASN 393 N 0.30 0.86 -0.27 2.17 2.35 -1.97 0.10 115.58 119.13 1pah h ASN 393 Ca 0.01 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1pah h ASN 393 Cb 0.98 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1pah h ASN 393 CO 0.08 0.93 0.10 -0.78 -1.65 0.00 0.00 177.43 176.11 1pah h ASP 394 N 0.77 0.37 -1.00 5.81 3.58 -1.90 -1.70 116.42 122.35 1pah h ASP 394 Ca 0.15 -0.18 0.05 0.00 0.42 0.00 0.00 57.03 57.48 1pah h ASP 394 Cb 0.45 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.34 1pah h ASP 394 CO 0.02 0.45 0.65 0.00 -2.88 0.00 0.00 179.24 177.48 1pah h ALA 395 N 0.94 1.37 -0.80 -0.78 0.00 -1.03 -1.25 119.26 117.71 1pah h ALA 395 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pah h ALA 395 Cb 0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1pah h ALA 395 CO -0.01 0.52 0.46 -0.22 0.00 0.00 0.00 179.25 180.00 1pah h LYS 396 N 1.24 1.10 -0.49 0.00 3.64 -0.54 -1.15 116.57 120.37 1pah h LYS 396 Ca 0.41 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1pah h LYS 396 Cb 0.06 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1pah h LYS 396 CO -0.14 0.79 0.20 0.93 -2.27 0.00 0.00 179.45 178.96 1pah h GLU 397 N 1.10 0.74 -0.86 1.90 4.39 -0.51 0.04 114.58 121.38 1pah h GLU 397 Ca 0.28 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.86 1pah h GLU 397 Cb -0.00 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1pah h GLU 397 CO -0.05 0.66 0.57 0.87 -1.16 0.00 0.00 179.01 179.90 1pah h LYS 398 N 0.66 1.12 -0.26 2.33 1.57 -0.82 -0.97 116.57 120.20 1pah h LYS 398 Ca 0.16 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1pah h LYS 398 Cb 0.20 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1pah h LYS 398 CO -0.01 0.74 -0.13 0.28 -0.57 0.00 0.00 179.45 179.76 1pah h VAL 399 N 1.15 1.30 -0.32 0.50 2.07 -0.73 -0.98 116.25 119.24 1pah h VAL 399 Ca 0.32 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.70 1pah h VAL 399 Cb -0.11 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1pah h VAL 399 CO -0.07 0.38 -0.14 -0.09 0.02 0.00 0.00 177.57 177.67 1pah h ARG 400 N 0.26 -0.08 -0.23 1.57 2.43 -0.44 0.30 114.38 118.20 1pah h ARG 400 Ca 0.06 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1pah h ARG 400 Cb 0.64 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1pah h ARG 400 CO 0.04 -0.05 0.10 -0.91 -1.51 0.00 0.00 179.97 177.64 1pah h ASN 401 N -0.08 0.31 -0.83 -3.80 2.35 -1.10 -2.52 115.58 109.91 1pah h ASN 401 Ca 0.16 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1pah h ASN 401 Cb 0.33 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 1pah h ASN 401 CO -0.37 0.37 0.52 0.15 -1.65 0.00 0.00 177.43 176.45 1pah h PHE 402 N 0.23 0.96 0.00 1.19 3.04 -0.50 0.11 116.94 121.97 1pah h PHE 402 Ca 0.08 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1pah h PHE 402 Cb 0.15 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.35 1pah h PHE 402 CO -0.02 0.51 -0.02 0.00 -2.02 0.00 0.00 178.31 176.76 1pah h ALA 403 N 1.38 1.72 0.00 2.41 0.00 -0.13 0.64 119.26 125.28 1pah h ALA 403 Ca 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1pah h ALA 403 Cb 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pah h ALA 403 CO -0.15 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.11 1pah h ALA 404 N 1.98 1.56 -0.04 0.00 0.00 -0.35 -1.92 119.26 120.49 1pah h ALA 404 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pah h ALA 404 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pah h ALA 404 CO 0.00 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1pah n THR 405 N -3.90 0.03 -2.72 0.00 -2.24 0.22 -4.87 114.28 100.80 1pah n THR 405 Ca -0.03 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 1pah n THR 405 Cb 0.09 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1pah n THR 405 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pah s ILE 406 N -1.97 4.75 -0.81 2.28 1.01 -0.72 -4.92 121.20 120.81 1pah s ILE 406 Ca 0.36 1.95 -0.26 0.00 0.00 0.00 0.00 60.65 62.70 1pah s ILE 406 Cb 0.21 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 1pah s ILE 406 CO 0.32 -0.10 2.25 -2.16 0.00 0.00 0.00 174.94 175.26 1pah s PRO 407 N 2.73 1.94 -0.06 2.79 0.04 -1.26 -4.88 135.00 136.29 1pah s PRO 407 Ca 0.44 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.79 1pah s PRO 407 Cb -0.16 -4.85 0.01 0.00 0.04 0.00 0.00 34.50 29.53 1pah s PRO 407 CO 0.10 -4.03 -0.14 1.03 0.04 0.00 0.00 177.00 174.00 1pah s ARG 408 N 8.24 1.82 0.00 4.56 0.52 -1.26 -4.68 118.95 128.14 1pah s ARG 408 Ca 0.85 -0.48 0.06 0.00 -0.52 0.00 0.00 55.73 55.64 1pah s ARG 408 Cb -0.11 -1.49 0.38 0.00 0.52 0.00 0.00 34.95 34.24 1pah s ARG 408 CO 0.06 0.07 0.80 -0.35 0.02 0.00 0.00 175.30 175.90 1pah n PRO 409 N 3.68 0.41 -3.86 3.54 -0.04 -1.26 -4.80 135.00 132.66 1pah n PRO 409 Ca -0.22 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.13 1pah n PRO 409 Cb 0.52 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.75 1pah n PRO 409 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1pah n PHE 410 N -0.74 -2.09 -4.46 0.54 1.16 -1.26 -5.07 117.46 105.53 1pah n PHE 410 Ca 0.05 -2.04 -0.25 0.00 -1.87 0.00 0.00 57.45 53.34 1pah n PHE 410 Cb 0.02 0.82 -0.13 0.00 -1.61 0.00 0.00 39.48 38.58 1pah n PHE 410 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1pah s SER 411 N -3.12 2.57 0.21 5.98 0.15 0.98 -4.95 113.70 115.51 1pah s SER 411 Ca 0.20 -0.62 0.10 0.00 0.70 0.00 0.00 55.95 56.33 1pah s SER 411 Cb -0.04 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1pah s SER 411 CO 0.15 0.11 -0.12 0.68 1.20 0.00 0.00 173.24 175.26 1pah s VAL 412 N -0.99 2.99 -0.13 4.45 -7.23 -1.26 0.26 120.40 118.49 1pah s VAL 412 Ca 0.07 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 1pah s VAL 412 Cb -0.09 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.37 1pah s VAL 412 CO 0.03 -0.19 0.38 -0.60 -0.31 0.00 0.00 175.10 174.41 1pah s ARG 413 N -3.02 0.46 -0.12 4.82 3.52 -0.27 -4.93 118.95 119.41 1pah s ARG 413 Ca 0.26 0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 56.25 1pah s ARG 413 Cb -0.08 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 1pah s ARG 413 CO 0.15 -0.06 0.18 -0.47 -0.81 0.00 0.00 175.30 174.29 1pah s TYR 414 N 0.10 3.58 -0.44 5.12 5.04 -1.26 0.18 117.35 129.66 1pah s TYR 414 Ca -0.01 0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 55.12 1pah s TYR 414 Cb -0.03 -2.04 0.12 0.00 0.35 0.00 0.00 41.96 40.35 1pah s TYR 414 CO 0.01 0.63 0.28 0.34 -1.34 0.00 0.00 175.55 175.46 1pah s ASP 415 N -0.72 5.47 0.55 4.32 2.15 0.80 -4.94 116.67 124.30 1pah s ASP 415 Ca 0.15 -2.00 0.22 0.00 0.43 0.00 0.00 52.55 51.35 1pah s ASP 415 Cb -0.12 -1.91 1.51 0.00 -0.30 0.00 0.00 42.92 42.09 1pah s ASP 415 CO 0.04 -0.61 2.19 1.55 -0.17 0.00 0.00 175.17 178.17 1pah h PRO 416 N 8.21 0.00 -0.63 4.34 0.13 -1.96 1.15 132.00 143.24 1pah h PRO 416 Ca -0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1pah h PRO 416 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 1pah h PRO 416 CO 0.77 0.00 0.25 1.88 -0.23 0.00 0.00 178.00 180.67 1pah h TYR 417 N 0.00 0.95 -0.00 1.56 0.05 -1.96 -3.25 116.97 114.32 1pah h TYR 417 Ca 0.01 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1pah h TYR 417 Cb 0.04 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.50 1pah h TYR 417 CO 0.00 0.75 -0.46 0.25 -1.05 0.00 0.00 178.16 177.65 1pah n THR 418 N -4.44 0.00 -3.16 -2.88 -2.24 -0.94 -5.01 114.28 95.61 1pah n THR 418 Ca 0.04 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1pah n THR 418 Cb 0.17 1.01 0.07 0.00 -2.10 0.00 0.00 70.33 69.48 1pah n THR 418 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pah n GLN 419 N -1.16 -5.37 -4.10 -0.78 6.02 0.39 -4.91 117.38 107.48 1pah n GLN 419 Ca 0.02 0.68 -0.15 0.00 -0.01 0.00 0.00 57.00 57.55 1pah n GLN 419 Cb 0.16 -5.20 -0.12 0.00 1.02 0.00 0.00 30.24 26.11 1pah n GLN 419 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1pah s ARG 420 N -5.15 0.62 -0.07 -1.09 0.52 -1.11 -2.50 118.95 110.17 1pah s ARG 420 Ca 0.03 -0.82 -0.18 0.00 -0.52 0.00 0.00 55.73 54.24 1pah s ARG 420 Cb -0.01 -0.45 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1pah s ARG 420 CO 0.58 0.09 0.48 0.42 0.02 0.00 0.00 175.30 176.90 1pah s ILE 421 N -1.37 5.09 -0.27 1.52 -1.09 0.65 -0.14 121.20 125.60 1pah s ILE 421 Ca -0.07 0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 59.24 1pah s ILE 421 Cb -0.10 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1pah s ILE 421 CO 0.01 0.40 0.14 -1.61 -1.23 0.00 0.00 174.94 172.65 1pah s GLU 422 N 0.09 3.83 -0.36 2.79 0.41 0.47 -4.90 118.70 121.02 1pah s GLU 422 Ca 0.26 -0.39 -0.18 0.00 -0.41 0.00 0.00 54.97 54.26 1pah s GLU 422 Cb -0.16 -3.52 -0.00 0.00 -1.78 0.00 0.00 34.13 28.67 1pah s GLU 422 CO 0.12 -0.18 0.51 0.08 -0.49 0.00 0.00 175.26 175.30 1pah s VAL 423 N 1.69 5.02 -1.48 2.63 1.01 -1.26 -1.12 120.40 126.89 1pah s VAL 423 Ca 0.07 0.26 0.12 0.00 0.00 0.00 0.00 61.98 62.43 1pah s VAL 423 Cb -0.16 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1pah s VAL 423 CO 0.08 -0.25 0.87 0.18 0.00 0.00 0.00 175.10 175.99