#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6s n THR 114 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -2.79 114.28 112.27 3i6s n THR 114 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3i6s n THR 114 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3i6s n THR 114 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3i6s n HIS 115 N -1.36 0.00 -0.31 4.78 -0.00 -1.26 -4.64 115.22 112.43 3i6s n HIS 115 Ca 0.08 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.95 3i6s n HIS 115 Cb 0.32 0.00 0.33 0.00 -0.00 0.00 0.00 29.99 30.64 3i6s n HIS 115 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 3i6s h THR 116 N 0.00 0.40 0.00 3.57 2.02 -1.96 0.34 112.91 117.28 3i6s h THR 116 Ca 0.00 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 3i6s h THR 116 Cb 0.25 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3i6s h THR 116 CO 0.00 0.06 -0.50 0.77 0.37 0.00 0.00 175.52 176.22 3i6s h SER 117 N 0.33 0.00 -0.37 4.18 4.64 -1.90 -2.11 113.55 118.33 3i6s h SER 117 Ca 0.59 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.81 3i6s h SER 117 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3i6s h SER 117 CO -0.58 0.50 -0.14 0.44 -0.87 0.00 0.00 176.83 176.18 3i6s h ASP 118 N 0.00 0.76 -0.14 4.97 3.32 -0.63 -0.69 116.42 124.01 3i6s h ASP 118 Ca -0.00 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 56.70 3i6s h ASP 118 Cb 0.94 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3i6s h ASP 118 CO 0.06 0.98 0.11 0.15 -1.72 0.00 0.00 179.24 178.82 3i6s h PHE 119 N 0.54 0.00 -0.01 4.55 -0.00 -0.82 0.27 116.94 121.46 3i6s h PHE 119 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.06 3i6s h PHE 119 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.62 3i6s h PHE 119 CO 0.06 0.00 -0.11 1.28 -0.00 0.00 0.00 178.31 179.54 3i6s n LEU 120 N -4.32 1.54 0.00 0.59 4.77 -0.82 -4.93 117.00 113.83 3i6s n LEU 120 Ca 0.00 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 3i6s n LEU 120 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3i6s n LEU 120 CO 0.33 0.27 0.00 0.29 -1.33 0.00 0.00 177.39 176.95 3i6s n LYS 121 N 0.03 -0.09 -2.12 3.23 5.02 0.08 -4.51 118.16 119.79 3i6s n LYS 121 Ca 0.16 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 56.08 3i6s n LYS 121 Cb 0.39 -2.95 -0.01 0.00 -0.02 0.00 0.00 35.03 32.43 3i6s n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i6s s LEU 122 N 0.00 4.22 0.04 -0.35 1.43 -0.31 -4.97 118.68 118.73 3i6s s LEU 122 Ca 0.00 2.57 -0.27 0.00 -1.03 0.00 0.00 54.13 55.39 3i6s s LEU 122 Cb 0.00 -3.93 0.09 0.00 0.03 0.00 0.00 46.19 42.39 3i6s s LEU 122 CO 0.00 -0.79 0.84 0.54 0.23 0.00 0.00 176.35 177.17 3i6s s ASN 123 N -0.84 -0.38 0.41 2.29 4.22 -1.26 -4.52 114.94 114.85 3i6s s ASN 123 Ca 0.57 -0.05 0.22 0.00 -2.14 0.00 0.00 52.86 51.45 3i6s s ASN 123 Cb -0.36 0.44 0.70 0.00 1.28 0.00 0.00 41.25 43.30 3i6s s ASN 123 CO 0.46 -0.72 1.73 -0.65 -2.04 0.00 0.00 177.10 175.88 3i6s h PRO 124 N 2.00 0.00 0.75 3.55 0.11 -1.97 -3.34 132.00 133.11 3i6s h PRO 124 Ca -0.24 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 3i6s h PRO 124 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 3i6s h PRO 124 CO 0.31 0.27 -0.36 0.77 -0.21 0.00 0.00 178.00 178.79 3i6s h SER 125 N 0.00 -0.86 -5.54 -2.05 0.02 -2.00 -3.39 113.55 99.74 3i6s h SER 125 Ca -0.00 0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 60.73 3i6s h SER 125 Cb 0.90 0.22 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 3i6s h SER 125 CO 0.04 -0.48 -0.36 -0.94 -1.14 0.00 0.00 176.83 173.94 3i6s s SER 126 N -4.40 0.54 0.00 3.07 1.04 -1.25 -4.84 113.70 107.86 3i6s s SER 126 Ca -0.15 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 54.92 3i6s s SER 126 Cb 0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3i6s s SER 126 CO 0.45 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.20 3i6s n GLY 127 N -0.43 0.03 0.25 7.32 0.00 -1.26 -4.29 105.19 106.80 3i6s n GLY 127 Ca 0.02 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 3i6s n GLY 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i6s h LEU 128 N 0.00 0.94 0.55 0.99 6.46 -1.85 -2.99 115.31 119.41 3i6s h LEU 128 Ca 0.00 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 57.28 3i6s h LEU 128 Cb 0.00 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 3i6s h LEU 128 CO 0.00 1.20 -0.40 -0.50 -0.62 0.00 0.00 178.44 178.13 3i6s h TRP 129 N 0.69 -1.07 -0.23 1.25 4.06 -1.78 0.13 115.95 119.00 3i6s h TRP 129 Ca 0.06 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.03 3i6s h TRP 129 Cb 0.92 0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 29.46 3i6s h TRP 129 CO 0.06 -0.57 0.11 -1.00 -3.56 0.00 0.00 178.44 173.49 3i6s h PRO 130 N -0.90 0.23 -0.84 0.49 0.13 -1.73 0.49 132.00 129.87 3i6s h PRO 130 Ca -0.07 -0.01 0.23 0.00 -0.87 0.00 0.00 66.00 65.27 3i6s h PRO 130 Cb 0.74 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 3i6s h PRO 130 CO 0.03 0.15 0.59 0.00 -0.23 0.00 0.00 178.00 178.54 3i6s h ALA 131 N 1.12 2.59 -0.01 -0.56 0.00 -1.42 -2.44 119.26 118.54 3i6s h ALA 131 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i6s h ALA 131 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i6s h ALA 131 CO -0.07 -0.84 -0.21 -1.13 0.00 0.00 0.00 179.25 177.00 3i6s n SER 132 N -4.36 1.47 -2.69 0.00 3.41 0.44 -4.54 113.62 107.34 3i6s n SER 132 Ca 0.17 -1.23 -0.20 0.00 -0.26 0.00 0.00 58.87 57.35 3i6s n SER 132 Cb 0.82 0.39 0.03 0.00 -0.26 0.00 0.00 64.21 65.19 3i6s n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6s n GLY 133 N 0.93 -0.42 2.31 5.00 0.00 0.16 -1.37 105.19 111.80 3i6s n GLY 133 Ca 0.05 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 3i6s n GLY 133 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i6s n LEU 134 N -3.58 -1.29 0.00 0.99 4.77 -0.15 -2.06 117.00 115.68 3i6s n LEU 134 Ca -0.12 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3i6s n LEU 134 Cb 0.62 -2.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 3i6s n LEU 134 CO 0.41 -0.70 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 3i6s n GLY 135 N -0.45 0.51 0.39 -0.72 0.00 -0.47 -1.10 105.19 103.35 3i6s n GLY 135 Ca -0.17 -0.42 0.18 0.00 0.00 0.00 0.00 46.02 45.61 3i6s n GLY 135 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3i6s h GLN 136 N 0.76 0.47 -0.59 1.61 3.07 -1.28 -0.73 115.11 118.41 3i6s h GLN 136 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 3i6s h GLN 136 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.46 3i6s h GLN 136 CO 0.00 0.31 0.00 -3.47 0.09 0.00 0.00 178.83 175.76 3i6s n ASP 137 N -4.57 3.41 -4.48 0.06 4.64 -1.26 -4.55 116.55 109.80 3i6s n ASP 137 Ca 0.21 -2.17 -0.24 0.00 -1.38 0.00 0.00 54.79 51.20 3i6s n ASP 137 Cb 0.70 -0.44 -0.10 0.00 -1.04 0.00 0.00 41.12 40.24 3i6s n ASP 137 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3i6s s VAL 138 N -1.51 2.38 -0.08 5.18 0.11 -0.28 -5.02 120.40 121.17 3i6s s VAL 138 Ca 0.39 -2.35 0.01 0.00 -2.93 0.00 0.00 61.98 57.10 3i6s s VAL 138 Cb 0.23 -2.38 0.02 0.00 -1.53 0.00 0.00 36.38 32.72 3i6s s VAL 138 CO 0.22 -0.36 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.92 3i6s s ILE 139 N -2.56 0.99 -0.13 7.04 1.01 -1.26 -1.58 121.20 124.71 3i6s s ILE 139 Ca 0.30 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3i6s s ILE 139 Cb -0.03 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 3i6s s ILE 139 CO 0.15 0.34 -0.20 0.54 0.00 0.00 0.00 174.94 175.77 3i6s s VAL 140 N 1.18 2.36 -0.01 2.92 0.11 -0.78 -0.56 120.40 125.62 3i6s s VAL 140 Ca -0.05 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.00 3i6s s VAL 140 Cb -0.14 -1.95 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 3i6s s VAL 140 CO -0.02 0.54 0.33 0.00 -3.33 0.00 0.00 175.10 172.62 3i6s s ALA 141 N 0.55 3.77 -0.24 1.54 0.00 0.00 -2.30 121.76 125.08 3i6s s ALA 141 Ca -0.12 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3i6s s ALA 141 Cb -0.17 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.78 3i6s s ALA 141 CO 0.04 0.55 -0.12 0.08 0.00 0.00 0.00 175.76 176.32 3i6s s VAL 142 N -1.16 2.25 -0.66 0.00 1.01 -0.46 -0.10 120.40 121.26 3i6s s VAL 142 Ca 0.24 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.55 3i6s s VAL 142 Cb -0.15 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.06 3i6s s VAL 142 CO 0.13 0.11 1.08 -0.76 0.00 0.00 0.00 175.10 175.65 3i6s s LEU 143 N 1.17 3.89 -0.00 3.92 1.02 -0.80 -1.76 118.68 126.12 3i6s s LEU 143 Ca -0.05 -0.66 0.01 0.00 0.02 0.00 0.00 54.13 53.45 3i6s s LEU 143 Cb -0.18 -2.57 0.02 0.00 0.02 0.00 0.00 46.19 43.48 3i6s s LEU 143 CO -0.06 -1.54 0.77 -1.54 0.02 0.00 0.00 176.35 174.00 3i6s n SER 145 N 8.26 0.64 0.00 2.29 3.41 -1.26 -4.51 113.62 122.45 3i6s n SER 145 Ca -0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3i6s n SER 145 Cb 0.47 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3i6s n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6s n GLY 146 N 0.27 -0.28 3.49 5.00 0.00 -1.26 -4.13 105.19 108.28 3i6s n GLY 146 Ca 0.01 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 3i6s n GLY 146 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i6s s ILE 147 N 0.00 0.00 -0.59 -0.61 2.07 0.98 -3.49 121.20 119.55 3i6s s ILE 147 Ca 0.00 -0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.07 3i6s s ILE 147 Cb 0.00 -0.98 0.15 0.00 0.13 0.00 0.00 42.46 41.76 3i6s s ILE 147 CO 0.00 -0.02 0.53 0.86 -1.91 0.00 0.00 174.94 174.40 3i6s s TRP 148 N -1.52 3.41 0.31 3.50 -0.11 -1.26 -0.35 118.94 122.91 3i6s s TRP 148 Ca -0.10 -1.62 0.02 0.00 1.22 0.00 0.00 56.10 55.62 3i6s s TRP 148 Cb -0.00 -3.72 0.51 0.00 -1.50 0.00 0.00 33.47 28.76 3i6s s TRP 148 CO 0.07 -1.00 1.86 -1.00 -4.62 0.00 0.00 176.95 172.26 3i6s h PRO 149 N 8.48 0.69 -0.02 5.86 0.13 -1.94 -2.98 132.00 142.22 3i6s h PRO 149 Ca -0.18 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3i6s h PRO 149 Cb 1.08 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3i6s h PRO 149 CO 0.93 0.64 0.00 -0.85 -0.23 0.00 0.00 178.00 178.49 3i6s n GLU 150 N -4.29 0.86 -2.33 0.86 0.00 -1.26 -4.63 120.64 109.84 3i6s n GLU 150 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.83 3i6s n GLU 150 Cb 0.22 -1.01 -0.01 0.00 0.00 0.00 0.00 31.44 30.63 3i6s n GLU 150 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i6s s SER 151 N -1.12 6.19 0.45 -1.84 0.15 -1.13 -4.93 113.70 111.48 3i6s s SER 151 Ca 0.00 2.20 0.14 0.00 0.70 0.00 0.00 55.95 58.99 3i6s s SER 151 Cb 0.00 -2.59 1.06 0.00 -1.71 0.00 0.00 66.02 62.78 3i6s s SER 151 CO 0.00 -0.90 2.03 0.00 1.20 0.00 0.00 173.24 175.58 3i6s h ALA 152 N 1.90 1.98 0.00 5.45 0.00 -1.92 -0.73 119.26 125.94 3i6s h ALA 152 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i6s h ALA 152 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i6s h ALA 152 CO 0.60 -0.06 0.00 0.77 0.00 0.00 0.00 179.25 180.56 3i6s h SER 153 N 0.34 0.00 -0.20 0.00 0.02 -1.89 -2.68 113.55 109.13 3i6s h SER 153 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3i6s h SER 153 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3i6s h SER 153 CO -0.04 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.14 3i6s n PHE 154 N -2.90 0.57 -2.34 3.45 0.99 -0.28 0.47 117.46 117.42 3i6s n PHE 154 Ca -0.02 -0.79 -0.26 0.00 -0.00 0.00 0.00 57.45 56.38 3i6s n PHE 154 Cb 0.12 -0.20 0.05 0.00 -1.00 0.00 0.00 39.48 38.45 3i6s n PHE 154 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3i6s s GLN 155 N -2.31 2.61 -0.50 -1.08 -1.52 -1.01 -4.30 119.66 111.55 3i6s s GLN 155 Ca 0.33 -0.17 0.07 0.00 -1.95 0.00 0.00 55.36 53.63 3i6s s GLN 155 Cb 0.25 -2.25 0.38 0.00 -0.22 0.00 0.00 33.01 31.17 3i6s s GLN 155 CO 0.08 -0.91 0.98 -0.40 -0.25 0.00 0.00 175.29 174.80 3i6s n ASP 156 N -2.69 4.02 -0.13 5.90 3.85 -1.26 -4.75 116.55 121.49 3i6s n ASP 156 Ca 0.06 -3.57 -0.12 0.00 -0.71 0.00 0.00 54.79 50.45 3i6s n ASP 156 Cb 0.59 -0.53 -0.02 0.00 -1.35 0.00 0.00 41.12 39.81 3i6s n ASP 156 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3i6s h ASP 157 N 2.85 0.82 -0.44 -1.12 5.19 -1.96 -3.20 116.42 118.56 3i6s h ASP 157 Ca 0.17 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 3i6s h ASP 157 Cb 0.73 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3i6s h ASP 157 CO 0.78 1.03 0.00 0.61 -3.12 0.00 0.00 179.24 178.54 3i6s n GLY 158 N -0.09 3.31 3.67 2.75 0.00 -1.26 -5.00 105.19 108.56 3i6s n GLY 158 Ca -0.02 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 3i6s n GLY 158 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i6s s MET 159 N -2.28 4.26 1.11 1.61 -1.94 -1.21 -5.06 119.30 115.79 3i6s s MET 159 Ca 0.44 0.84 -0.16 0.00 -1.71 0.00 0.00 55.69 55.10 3i6s s MET 159 Cb 0.32 -3.57 0.24 0.00 2.01 0.00 0.00 34.83 33.83 3i6s s MET 159 CO 0.15 -0.28 1.10 -1.25 -0.01 0.00 0.00 175.02 174.73 3i6s s PRO 160 N 2.03 -0.50 0.71 2.03 0.04 -1.26 -4.99 135.00 133.06 3i6s s PRO 160 Ca 0.34 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.43 3i6s s PRO 160 Cb -0.16 -1.66 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 3i6s s PRO 160 CO 0.11 -3.29 0.94 0.39 0.04 0.00 0.00 177.00 175.20 3i6s n GLU 161 N -4.51 0.54 -2.14 4.56 1.02 -1.26 -4.93 120.64 113.93 3i6s n GLU 161 Ca 0.09 0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 3i6s n GLU 161 Cb 0.58 -2.19 -0.03 0.00 -0.02 0.00 0.00 31.44 29.78 3i6s n GLU 161 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i6s s ILE 162 N -1.78 3.16 0.29 -3.67 1.01 -1.26 -4.96 121.20 113.98 3i6s s ILE 162 Ca 0.73 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.94 3i6s s ILE 162 Cb -0.35 -3.55 -0.12 0.00 0.01 0.00 0.00 42.46 38.44 3i6s s ILE 162 CO 0.50 0.08 1.50 -0.81 0.00 0.00 0.00 174.94 176.21 3i6s n PRO 163 N 3.61 2.42 -0.36 2.79 -0.04 -1.26 -4.89 135.00 137.27 3i6s n PRO 163 Ca 0.11 0.86 0.06 0.00 -0.04 0.00 0.00 63.50 64.48 3i6s n PRO 163 Cb 0.42 -2.58 0.22 0.00 -0.04 0.00 0.00 33.50 31.52 3i6s n PRO 163 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3i6s h LYS 164 N 4.25 1.03 -1.17 0.54 2.10 -2.02 -2.19 116.57 119.11 3i6s h LYS 164 Ca -0.46 -0.06 0.44 0.00 -2.00 0.00 0.00 60.65 58.56 3i6s h LYS 164 Cb 1.25 -0.23 -0.16 0.00 -0.90 0.00 0.00 32.23 32.19 3i6s h LYS 164 CO 0.75 0.68 0.70 -2.13 -2.00 0.00 0.00 179.45 177.45 3i6s n ARG 165 N -4.58 -0.05 -2.60 0.07 0.63 -1.26 -4.51 116.66 104.36 3i6s n ARG 165 Ca 0.18 1.29 -0.41 0.00 -0.92 0.00 0.00 57.85 57.99 3i6s n ARG 165 Cb 0.30 -2.43 -0.04 0.00 0.45 0.00 0.00 32.46 30.74 3i6s n ARG 165 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 3i6s s TRP 166 N -5.35 3.64 -0.02 -0.14 -0.11 -0.83 -4.92 118.94 111.21 3i6s s TRP 166 Ca -0.08 1.62 0.02 0.00 1.22 0.00 0.00 56.10 58.88 3i6s s TRP 166 Cb 0.32 -3.21 0.03 0.00 -1.50 0.00 0.00 33.47 29.12 3i6s s TRP 166 CO 0.78 -0.37 0.92 1.63 -4.62 0.00 0.00 176.95 175.29 3i6s n LYS 167 N 3.14 0.25 -1.46 5.86 5.02 -1.26 -5.00 118.16 124.72 3i6s n LYS 167 Ca 0.05 -1.11 -0.34 0.00 -2.02 0.00 0.00 58.31 54.89 3i6s n LYS 167 Cb 0.48 -0.64 0.09 0.00 -0.02 0.00 0.00 35.03 34.94 3i6s n LYS 167 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i6s s GLY 168 N -1.04 2.22 0.32 0.72 0.00 -1.26 -5.03 107.32 103.25 3i6s s GLY 168 Ca 0.04 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.54 3i6s s GLY 168 CO 0.00 1.13 0.47 -0.26 0.00 0.00 0.00 173.10 174.45 3i6s s ILE 169 N -2.17 4.69 -0.82 0.90 -4.36 -1.26 -4.89 121.20 113.29 3i6s s ILE 169 Ca 0.71 -0.83 -0.03 0.00 -0.26 0.00 0.00 60.65 60.24 3i6s s ILE 169 Cb -0.26 -3.67 0.20 0.00 1.25 0.00 0.00 42.46 39.99 3i6s s ILE 169 CO 0.46 -0.32 0.69 0.00 0.24 0.00 0.00 174.94 176.01 3i6s s LYS 171 N -0.88 4.23 0.90 0.00 2.20 -0.22 -4.30 119.74 121.67 3i6s s LYS 171 Ca 0.24 2.02 -0.11 0.00 -0.36 0.00 0.00 55.97 57.76 3i6s s LYS 171 Cb -0.11 -3.76 0.13 0.00 -1.51 0.00 0.00 37.83 32.58 3i6s s LYS 171 CO -0.09 -0.71 1.10 -2.14 -0.36 0.00 0.00 175.35 173.15 3i6s s PRO 172 N 3.20 1.20 0.00 4.03 0.02 -1.26 -4.77 135.00 137.41 3i6s s PRO 172 Ca 0.66 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.84 3i6s s PRO 172 Cb -0.31 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3i6s s PRO 172 CO 0.26 -2.38 0.00 0.41 -0.33 0.00 0.00 177.00 174.96 3i6s n GLY 173 N -0.49 -0.90 3.65 0.52 0.00 0.12 -4.92 105.19 103.17 3i6s n GLY 173 Ca 0.09 -0.72 -0.47 0.00 0.00 0.00 0.00 46.02 44.92 3i6s n GLY 173 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i6s n THR 174 N 0.52 0.37 -2.53 2.61 -1.04 -0.89 -2.16 114.28 111.17 3i6s n THR 174 Ca 0.00 -0.09 -0.04 0.00 -2.04 0.00 0.00 64.05 61.88 3i6s n THR 174 Cb 0.00 -1.37 -0.00 0.00 -1.82 0.00 0.00 70.33 67.14 3i6s n THR 174 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i6s n GLN 175 N 2.72 -2.78 -3.59 -2.82 6.02 -1.26 -4.61 117.38 111.06 3i6s n GLN 175 Ca 0.15 0.16 -0.13 0.00 -0.01 0.00 0.00 57.00 57.17 3i6s n GLN 175 Cb 0.28 -4.69 -0.12 0.00 1.02 0.00 0.00 30.24 26.73 3i6s n GLN 175 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3i6s s PHE 176 N -2.18 -0.51 0.35 1.08 5.36 -0.92 -4.97 117.98 116.19 3i6s s PHE 176 Ca 0.02 0.92 0.09 0.00 -0.96 0.00 0.00 56.93 57.00 3i6s s PHE 176 Cb -0.01 -0.03 -0.07 0.00 -0.34 0.00 0.00 43.02 42.58 3i6s s PHE 176 CO 0.02 -0.46 -0.07 0.54 -1.46 0.00 0.00 175.22 173.79 3i6s s ASN 177 N 2.45 3.81 0.00 6.13 2.20 -1.26 -0.70 114.94 127.57 3i6s s ASN 177 Ca 0.03 -1.19 0.04 0.00 -0.94 0.00 0.00 52.86 50.79 3i6s s ASN 177 Cb -0.13 -0.38 0.22 0.00 -2.00 0.00 0.00 41.25 38.96 3i6s s ASN 177 CO -0.11 -0.24 0.66 0.00 -2.94 0.00 0.00 177.10 174.47 3i6s n ALA 178 N -0.84 1.65 0.52 3.54 0.00 -1.26 0.03 120.51 124.16 3i6s n ALA 178 Ca -0.05 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.46 3i6s n ALA 178 Cb 0.64 -1.06 0.13 0.00 0.00 0.00 0.00 19.45 19.16 3i6s n ALA 178 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i6s n SER 179 N -0.95 2.87 0.00 0.00 3.41 -1.26 -4.46 113.62 113.24 3i6s n SER 179 Ca 0.03 -1.86 0.08 0.00 -0.26 0.00 0.00 58.87 56.86 3i6s n SER 179 Cb 0.01 -0.10 0.39 0.00 -0.26 0.00 0.00 64.21 64.25 3i6s n SER 179 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3i6s n MET 180 N 1.14 0.09 -2.96 4.33 1.56 0.11 -4.77 117.12 116.61 3i6s n MET 180 Ca 0.14 0.18 -0.22 0.00 -0.27 0.00 0.00 57.70 57.53 3i6s n MET 180 Cb 0.50 -1.50 0.02 0.00 2.15 0.00 0.00 33.22 34.39 3i6s n MET 180 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i6s n ASN 182 N -2.08 0.00 0.00 0.00 0.23 0.04 -4.99 115.26 108.47 3i6s n ASN 182 Ca 0.03 -0.89 0.07 0.00 -0.53 0.00 0.00 54.58 53.26 3i6s n ASN 182 Cb 0.58 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.64 3i6s n ASN 182 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i6s n ARG 183 N 0.00 0.23 -0.02 -3.83 1.74 -1.26 -2.98 116.66 110.54 3i6s n ARG 183 Ca 0.00 0.14 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 3i6s n ARG 183 Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 3i6s n ARG 183 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3i6s n LYS 184 N -1.26 0.20 -2.72 5.56 3.00 -1.26 -4.77 118.16 116.91 3i6s n LYS 184 Ca 0.07 0.08 -0.43 0.00 -0.00 0.00 0.00 58.31 58.03 3i6s n LYS 184 Cb 0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 35.03 34.34 3i6s n LYS 184 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3i6s s LEU 185 N -6.52 4.26 0.26 3.14 0.20 -1.23 -0.47 118.68 118.33 3i6s s LEU 185 Ca -0.11 -2.25 0.23 0.00 0.69 0.00 0.00 54.13 52.69 3i6s s LEU 185 Cb 0.02 -2.50 0.19 0.00 -0.43 0.00 0.00 46.19 43.46 3i6s s LEU 185 CO 0.16 -1.14 1.28 0.16 -0.29 0.00 0.00 176.35 176.53 3i6s h ILE 186 N 5.71 0.00 -3.64 6.68 3.07 -1.02 0.16 117.51 128.47 3i6s h ILE 186 Ca 0.30 -0.90 -0.19 0.00 1.55 0.00 0.00 64.86 65.62 3i6s h ILE 186 Cb 0.93 1.58 -0.25 0.00 -0.27 0.00 0.00 36.82 38.81 3i6s h ILE 186 CO 1.34 0.00 -0.63 -0.83 -1.05 0.00 0.00 178.15 176.98 3i6s s GLY 187 N -4.18 0.02 -0.12 0.16 0.00 -1.00 -4.77 107.32 97.44 3i6s s GLY 187 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 3i6s s GLY 187 CO 0.74 -0.06 0.24 0.00 0.00 0.00 0.00 173.10 174.02 3i6s s ALA 188 N -0.46 -0.49 0.01 3.20 0.00 -0.84 -0.29 121.76 122.90 3i6s s ALA 188 Ca -0.05 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 3i6s s ALA 188 Cb -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 3i6s s ALA 188 CO 0.00 -0.51 0.13 1.21 0.00 0.00 0.00 175.76 176.59 3i6s s ASN 189 N 2.10 0.05 0.07 0.00 3.84 0.47 -1.06 114.94 120.41 3i6s s ASN 189 Ca -0.01 -0.27 0.01 0.00 0.21 0.00 0.00 52.86 52.80 3i6s s ASN 189 Cb -0.12 0.21 -0.04 0.00 -0.55 0.00 0.00 41.25 40.76 3i6s s ASN 189 CO -0.08 -0.40 -0.06 -0.72 -2.79 0.00 0.00 177.10 173.05 3i6s s TYR 190 N -1.62 0.73 -0.23 0.43 1.13 -1.26 -0.58 117.35 115.95 3i6s s TYR 190 Ca -0.13 -0.85 -0.04 0.00 -1.41 0.00 0.00 57.07 54.64 3i6s s TYR 190 Cb -0.07 -0.45 0.08 0.00 -1.10 0.00 0.00 41.96 40.43 3i6s s TYR 190 CO 0.00 -0.19 0.10 -0.06 -2.51 0.00 0.00 175.55 172.89 3i6s s PHE 191 N -3.15 0.49 0.00 -3.49 0.40 0.06 -4.92 117.98 107.38 3i6s s PHE 191 Ca 0.05 -0.73 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 3i6s s PHE 191 Cb 0.02 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.65 3i6s s PHE 191 CO -0.05 -0.68 0.65 0.27 0.70 0.00 0.00 175.22 176.12 3i6s n ASN 192 N 5.20 1.20 -0.21 1.36 0.23 -1.26 -4.60 115.26 117.17 3i6s n ASN 192 Ca -0.06 -1.40 -0.00 0.00 -0.53 0.00 0.00 54.58 52.58 3i6s n ASN 192 Cb 0.45 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.38 3i6s n ASN 192 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3i6s h LYS 193 N 0.00 0.99 -0.82 -3.83 1.57 -1.99 -0.89 116.57 111.60 3i6s h LYS 193 Ca 0.00 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 3i6s h LYS 193 Cb 0.35 -0.21 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 3i6s h LYS 193 CO 0.00 0.69 0.44 0.78 -0.57 0.00 0.00 179.45 180.80 3i6s h GLY 194 N 1.04 1.30 0.76 3.86 0.00 -1.94 0.98 103.07 109.07 3i6s h GLY 194 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3i6s h GLY 194 CO -0.05 0.04 -0.03 -2.22 0.00 0.00 0.00 176.54 174.28 3i6s h ILE 195 N 0.69 1.08 0.18 2.60 2.04 -1.53 -1.72 117.51 120.85 3i6s h ILE 195 Ca 0.42 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3i6s h ILE 195 Cb 0.51 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3i6s h ILE 195 CO -0.31 0.13 -0.09 -0.07 0.00 0.00 0.00 178.15 177.82 3i6s h LEU 196 N -0.33 -0.20 -0.78 1.44 3.38 -1.05 -1.58 115.31 116.18 3i6s h LEU 196 Ca -0.01 -0.17 0.18 0.00 0.09 0.00 0.00 57.88 57.97 3i6s h LEU 196 Cb 0.29 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 3i6s h LEU 196 CO 0.02 0.06 0.20 0.00 0.09 0.00 0.00 178.44 178.80 3i6s h ALA 197 N 0.31 1.05 -0.69 1.53 0.00 -0.89 0.40 119.26 120.97 3i6s h ALA 197 Ca -0.02 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3i6s h ALA 197 Cb 0.36 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3i6s h ALA 197 CO 0.04 -0.36 0.45 -0.97 0.00 0.00 0.00 179.25 178.42 3i6s h ASN 198 N 0.27 0.68 -0.60 0.00 -1.24 -0.81 -3.40 115.58 110.47 3i6s h ASN 198 Ca 0.45 -0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.54 3i6s h ASN 198 Cb 0.81 -0.15 -0.19 0.00 0.73 0.00 0.00 38.32 39.52 3i6s h ASN 198 CO -0.54 0.45 -0.23 -0.62 -1.29 0.00 0.00 177.43 175.20 3i6s s ASP 199 N -6.30 -0.95 0.01 1.15 -1.08 0.11 -5.00 116.67 104.61 3i6s s ASP 199 Ca -0.10 -0.18 0.09 0.00 -0.52 0.00 0.00 52.55 51.84 3i6s s ASP 199 Cb 0.19 1.39 0.37 0.00 -1.46 0.00 0.00 42.92 43.41 3i6s s ASP 199 CO 0.77 -0.14 1.28 -2.65 0.52 0.00 0.00 175.17 174.95 3i6s n PRO 200 N 4.64 0.00 0.00 4.34 -0.02 0.40 -1.76 135.00 142.60 3i6s n PRO 200 Ca 0.08 0.36 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3i6s n PRO 200 Cb 0.58 -1.51 0.46 0.00 -0.02 0.00 0.00 33.50 33.01 3i6s n PRO 200 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i6s n THR 201 N -1.51 0.53 -2.65 3.45 -1.04 -1.26 -4.86 114.28 106.94 3i6s n THR 201 Ca 0.02 0.13 -0.40 0.00 -2.04 0.00 0.00 64.05 61.76 3i6s n THR 201 Cb 0.10 -0.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.79 3i6s n THR 201 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i6s s VAL 202 N -2.98 3.96 -0.51 12.58 1.01 -0.72 -5.02 120.40 128.71 3i6s s VAL 202 Ca 0.11 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 63.83 3i6s s VAL 202 Cb 0.14 -4.20 0.12 0.00 0.00 0.00 0.00 36.38 32.45 3i6s s VAL 202 CO 0.38 0.41 0.44 0.20 0.00 0.00 0.00 175.10 176.53 3i6s s ASN 203 N -0.80 6.02 -0.47 3.32 0.01 -1.26 -5.05 114.94 116.70 3i6s s ASN 203 Ca 0.44 -1.80 -0.28 0.00 -0.71 0.00 0.00 52.86 50.50 3i6s s ASN 203 Cb -0.28 -2.14 0.01 0.00 0.41 0.00 0.00 41.25 39.25 3i6s s ASN 203 CO 0.34 -0.79 1.45 -0.63 -1.51 0.00 0.00 177.10 175.96 3i6s s ILE 204 N 1.52 3.82 0.15 0.60 1.01 -1.26 -4.91 121.20 122.13 3i6s s ILE 204 Ca 0.04 0.78 -0.17 0.00 0.00 0.00 0.00 60.65 61.30 3i6s s ILE 204 Cb -0.28 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 37.94 3i6s s ILE 204 CO 0.02 -0.90 1.80 0.74 0.00 0.00 0.00 174.94 176.60 3i6s h THR 205 N 6.47 1.06 -3.24 2.92 2.02 -2.03 -3.28 112.91 116.83 3i6s h THR 205 Ca -0.27 -0.15 -0.69 0.00 0.77 0.00 0.00 66.41 66.06 3i6s h THR 205 Cb 1.11 0.57 -0.36 0.00 -1.74 0.00 0.00 68.15 67.72 3i6s h THR 205 CO 1.12 0.08 -0.14 0.80 0.37 0.00 0.00 175.52 177.75 3i6s n MET 206 N -4.87 2.59 -1.79 6.66 0.00 -1.26 -4.96 117.12 113.49 3i6s n MET 206 Ca 0.00 -4.49 -0.41 0.00 -0.00 0.00 0.00 57.70 52.80 3i6s n MET 206 Cb 0.04 -2.40 -0.01 0.00 0.00 0.00 0.00 33.22 30.86 3i6s n MET 206 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3i6s n ASN 207 N 2.18 6.21 -0.83 6.12 2.85 -1.24 -4.80 115.26 125.75 3i6s n ASN 207 Ca 0.22 -2.87 0.00 0.00 -0.11 0.00 0.00 54.58 51.81 3i6s n ASN 207 Cb 0.37 -1.54 0.00 0.00 1.24 0.00 0.00 39.78 39.85 3i6s n ASN 207 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3i6s n SER 208 N 4.17 0.00 -0.17 1.20 3.41 -1.26 -2.09 113.62 118.88 3i6s n SER 208 Ca 0.59 -0.83 0.15 0.00 -0.26 0.00 0.00 58.87 58.52 3i6s n SER 208 Cb 0.32 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.02 3i6s n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6s n ALA 209 N -3.00 2.66 -1.96 7.33 0.00 -1.26 -4.87 120.51 119.40 3i6s n ALA 209 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 3i6s n ALA 209 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 3i6s n ALA 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i6s s ARG 210 N -2.09 4.26 -0.14 0.00 3.52 -1.26 -0.02 118.95 123.23 3i6s s ARG 210 Ca 0.41 2.27 -0.27 0.00 -0.13 0.00 0.00 55.73 58.01 3i6s s ARG 210 Cb 0.21 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 3i6s s ARG 210 CO 0.38 -0.49 0.92 0.34 -0.81 0.00 0.00 175.30 175.63 3i6s s ASP 211 N 0.82 7.09 -0.04 -2.12 -1.08 0.52 -4.54 116.67 117.32 3i6s s ASP 211 Ca 0.65 1.34 0.10 0.00 -0.52 0.00 0.00 52.55 54.11 3i6s s ASP 211 Cb -0.41 -2.50 0.26 0.00 -1.46 0.00 0.00 42.92 38.81 3i6s s ASP 211 CO 0.36 -0.43 1.21 0.35 0.52 0.00 0.00 175.17 177.17 3i6s n THR 212 N 4.68 1.29 -0.03 1.71 -2.24 -1.26 -4.71 114.28 113.71 3i6s n THR 212 Ca 0.07 -1.25 -0.06 0.00 -2.27 0.00 0.00 64.05 60.53 3i6s n THR 212 Cb 0.49 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 3i6s n THR 212 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i6s n ASP 213 N -0.09 0.42 0.00 3.42 -0.08 -1.26 -5.02 116.55 113.93 3i6s n ASP 213 Ca 0.10 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 3i6s n ASP 213 Cb 0.48 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.76 3i6s n ASP 213 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i6s n GLY 214 N 2.64 2.84 0.29 0.27 0.00 -1.26 -4.95 105.19 105.02 3i6s n GLY 214 Ca -0.11 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 44.94 3i6s n GLY 214 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i6s h HIS 215 N 0.00 0.11 -0.41 1.61 6.17 -1.95 -0.25 115.15 120.43 3i6s h HIS 215 Ca 0.00 0.05 -0.10 0.00 0.71 0.00 0.00 60.37 61.03 3i6s h HIS 215 Cb 0.00 0.08 -0.02 0.00 2.52 0.00 0.00 27.41 29.99 3i6s h HIS 215 CO 0.00 -0.21 -0.15 0.78 0.71 0.00 0.00 177.93 179.05 3i6s h GLY 216 N 0.16 0.84 0.84 5.26 0.00 -1.88 -1.35 103.07 106.93 3i6s h GLY 216 Ca 0.46 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3i6s h GLY 216 CO -0.65 0.61 -0.19 -0.84 0.00 0.00 0.00 176.54 175.47 3i6s h THR 217 N 0.69 1.32 0.14 4.70 2.02 -1.21 -1.96 112.91 118.63 3i6s h THR 217 Ca 0.11 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.95 3i6s h THR 217 Cb 0.64 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 3i6s h THR 217 CO 0.05 0.41 -0.15 -0.74 0.37 0.00 0.00 175.52 175.45 3i6s h HIS 218 N 0.18 -0.40 -0.68 3.16 6.17 -0.97 -1.98 115.15 120.63 3i6s h HIS 218 Ca 0.03 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.13 3i6s h HIS 218 Cb 0.73 0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.79 3i6s h HIS 218 CO 0.08 -0.23 0.45 0.00 0.71 0.00 0.00 177.93 178.94 3i6s h ALA 220 N 1.25 0.46 -0.33 0.00 0.00 -1.10 -2.31 119.26 117.23 3i6s h ALA 220 Ca 0.25 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3i6s h ALA 220 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3i6s h ALA 220 CO -0.06 -0.13 -0.32 0.66 0.00 0.00 0.00 179.25 179.41 3i6s h SER 221 N 0.44 0.75 -0.97 0.00 4.64 -1.13 -1.56 113.55 115.73 3i6s h SER 221 Ca 0.14 -0.31 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3i6s h SER 221 Cb -0.00 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.82 3i6s h SER 221 CO -0.06 1.01 0.63 0.40 -0.87 0.00 0.00 176.83 177.94 3i6s h ILE 222 N 0.61 1.12 0.20 0.95 2.04 -1.13 0.89 117.51 122.19 3i6s h ILE 222 Ca 0.07 -0.40 -0.34 0.00 1.00 0.00 0.00 64.86 65.19 3i6s h ILE 222 Cb 0.84 -0.15 0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3i6s h ILE 222 CO 0.07 0.21 -1.58 0.00 0.00 0.00 0.00 178.15 176.85 3i6s h THR 223 N 1.18 1.14 0.00 -0.27 1.03 -1.14 -1.11 112.91 113.74 3i6s h THR 223 Ca 0.40 -2.67 -0.12 0.00 -0.01 0.00 0.00 66.41 64.01 3i6s h THR 223 Cb 0.09 2.89 -0.21 0.00 -1.07 0.00 0.00 68.15 69.85 3i6s h THR 223 CO -0.14 0.84 -0.60 0.00 -0.01 0.00 0.00 175.52 175.61 3i6s n ALA 224 N -2.76 2.80 -1.72 0.00 0.00 -0.61 -2.53 120.51 115.68 3i6s n ALA 224 Ca -0.19 -1.35 -0.42 0.00 0.00 0.00 0.00 53.44 51.47 3i6s n ALA 224 Cb 1.08 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 3i6s n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6s n GLY 225 N 0.21 0.92 3.86 0.00 0.00 0.31 -4.64 105.19 105.85 3i6s n GLY 225 Ca -0.08 0.38 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 3i6s n GLY 225 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i6s s ASN 226 N 0.01 6.36 0.08 1.61 3.84 0.18 0.79 114.94 127.81 3i6s s ASN 226 Ca 0.59 1.44 -0.35 0.00 0.21 0.00 0.00 52.86 54.75 3i6s s ASN 226 Cb -0.55 -2.47 -0.14 0.00 -0.55 0.00 0.00 41.25 37.54 3i6s s ASN 226 CO 0.57 -0.76 1.57 0.49 -2.79 0.00 0.00 177.10 176.18 3i6s n PHE 227 N -2.33 2.07 -3.82 0.43 3.01 -1.25 -4.41 117.46 111.16 3i6s n PHE 227 Ca 0.06 0.35 -0.28 0.00 1.01 0.00 0.00 57.45 58.58 3i6s n PHE 227 Cb 0.54 -2.50 -0.16 0.00 -0.01 0.00 0.00 39.48 37.35 3i6s n PHE 227 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i6s s ALA 228 N 1.39 1.29 0.45 4.37 0.00 0.46 -4.86 121.76 124.87 3i6s s ALA 228 Ca 0.83 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.74 3i6s s ALA 228 Cb -0.78 -1.19 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 3i6s s ALA 228 CO 0.44 -1.04 1.16 0.15 0.00 0.00 0.00 175.76 176.46 3i6s s LYS 229 N 1.72 3.79 -1.33 0.00 -0.14 -1.26 -1.12 119.74 121.40 3i6s s LYS 229 Ca -0.01 1.76 -0.08 0.00 -1.36 0.00 0.00 55.97 56.27 3i6s s LYS 229 Cb -0.17 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.57 3i6s s LYS 229 CO -0.07 -0.52 1.16 0.41 -0.76 0.00 0.00 175.35 175.57 3i6s n GLY 230 N 0.44 -0.51 3.80 -3.33 0.00 -1.06 -4.93 105.19 99.60 3i6s n GLY 230 Ca 0.07 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 3i6s n GLY 230 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i6s s VAL 231 N -3.32 3.78 0.19 1.61 -7.23 -0.67 -4.91 120.40 109.87 3i6s s VAL 231 Ca 0.54 -1.49 -0.23 0.00 -1.81 0.00 0.00 61.98 58.99 3i6s s VAL 231 Cb -0.24 -3.19 0.07 0.00 0.56 0.00 0.00 36.38 33.58 3i6s s VAL 231 CO 0.72 -0.26 0.98 -0.94 -0.31 0.00 0.00 175.10 175.28 3i6s s SER 232 N -3.88 -0.07 -0.84 4.85 1.04 -1.26 -1.74 113.70 111.79 3i6s s SER 232 Ca 0.36 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 3i6s s SER 232 Cb -0.06 0.54 0.22 0.00 0.10 0.00 0.00 66.02 66.81 3i6s s SER 232 CO 0.25 -1.03 0.76 -2.28 0.98 0.00 0.00 173.24 171.91 3i6s s HIS 233 N -2.68 3.78 -1.48 5.02 2.46 0.64 -4.45 115.29 118.58 3i6s s HIS 233 Ca 0.17 -2.29 -0.06 0.00 0.47 0.00 0.00 55.06 53.35 3i6s s HIS 233 Cb -0.02 -3.68 0.05 0.00 -0.13 0.00 0.00 32.58 28.80 3i6s s HIS 233 CO 0.05 -0.94 0.63 1.19 -2.47 0.00 0.00 174.74 173.19 3i6s n PHE 234 N 3.60 -1.81 0.00 3.88 3.01 -1.26 -1.39 117.46 123.49 3i6s n PHE 234 Ca 0.15 0.80 0.00 0.00 1.01 0.00 0.00 57.45 59.40 3i6s n PHE 234 Cb 0.44 -3.70 0.00 0.00 -0.01 0.00 0.00 39.48 36.20 3i6s n PHE 234 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i6s n GLY 235 N -1.75 3.32 3.86 1.37 0.00 -1.26 -4.46 105.19 106.26 3i6s n GLY 235 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3i6s n GLY 235 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i6s s TYR 236 N -2.46 3.39 -1.46 1.61 2.02 -0.49 -4.26 117.35 115.71 3i6s s TYR 236 Ca 0.00 1.12 -0.10 0.00 -0.37 0.00 0.00 57.07 57.72 3i6s s TYR 236 Cb 0.00 -2.46 0.06 0.00 -0.40 0.00 0.00 41.96 39.16 3i6s s TYR 236 CO 0.00 0.12 0.94 0.00 -1.57 0.00 0.00 175.55 175.04 3i6s n ALA 237 N -0.40 -1.47 -1.46 3.71 0.00 -1.26 -0.26 120.51 119.37 3i6s n ALA 237 Ca 0.03 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 3i6s n ALA 237 Cb 0.53 -4.00 0.06 0.00 0.00 0.00 0.00 19.45 16.03 3i6s n ALA 237 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i6s s PRO 238 N -6.42 2.73 0.00 0.00 0.04 -1.26 -4.58 135.00 125.50 3i6s s PRO 238 Ca 0.50 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3i6s s PRO 238 Cb -0.24 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3i6s s PRO 238 CO 0.81 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.98 3i6s n GLY 239 N -1.06 0.36 3.64 0.56 0.00 -0.71 -4.97 105.19 103.02 3i6s n GLY 239 Ca 0.09 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 3i6s n GLY 239 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6s s THR 240 N -3.35 5.31 0.23 2.61 2.01 -1.26 -1.66 115.64 119.52 3i6s s THR 240 Ca 0.00 0.29 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 3i6s s THR 240 Cb 0.00 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 3i6s s THR 240 CO 0.00 0.29 0.73 0.00 -0.69 0.00 0.00 174.62 174.95 3i6s s ALA 241 N 1.35 3.41 -0.04 7.40 0.00 -0.27 -4.16 121.76 129.44 3i6s s ALA 241 Ca 0.10 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 3i6s s ALA 241 Cb -0.14 -2.83 0.08 0.00 0.00 0.00 0.00 23.12 20.23 3i6s s ALA 241 CO 0.07 0.33 0.73 -0.98 0.00 0.00 0.00 175.76 175.90 3i6s s ARG 242 N -1.99 1.00 0.90 0.00 3.03 -1.12 -0.40 118.95 120.37 3i6s s ARG 242 Ca 0.43 0.16 -0.11 0.00 2.03 0.00 0.00 55.73 58.24 3i6s s ARG 242 Cb -0.17 0.47 0.13 0.00 -1.03 0.00 0.00 34.95 34.36 3i6s s ARG 242 CO 0.21 -0.33 1.10 0.20 -1.13 0.00 0.00 175.30 175.34 3i6s s GLY 243 N -1.37 1.64 0.60 3.88 0.00 0.24 -4.78 107.32 107.53 3i6s s GLY 243 Ca -0.08 0.16 0.32 0.00 0.00 0.00 0.00 44.72 45.12 3i6s s GLY 243 CO 0.06 0.62 2.27 -0.24 0.00 0.00 0.00 173.10 175.81 3i6s h VAL 244 N -1.63 0.45 -2.89 1.40 3.04 -1.22 -3.15 116.25 112.24 3i6s h VAL 244 Ca -0.48 -0.01 -0.61 0.00 -1.01 0.00 0.00 66.70 64.59 3i6s h VAL 244 Cb 1.27 1.01 -0.40 0.00 -2.01 0.00 0.00 31.29 31.16 3i6s h VAL 244 CO 0.50 0.00 -0.74 0.00 -1.01 0.00 0.00 177.57 176.33 3i6s s ALA 245 N -4.55 2.58 0.67 3.17 0.00 -1.05 -4.85 121.76 117.73 3i6s s ALA 245 Ca -0.05 -3.01 0.42 0.00 0.00 0.00 0.00 51.96 49.32 3i6s s ALA 245 Cb 0.15 -1.92 2.28 0.00 0.00 0.00 0.00 23.12 23.63 3i6s s ALA 245 CO 0.53 -2.05 2.29 -1.35 0.00 0.00 0.00 175.76 175.17 3i6s h PRO 246 N 6.01 0.00 -0.14 0.00 0.11 -1.63 -2.28 132.00 134.07 3i6s h PRO 246 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3i6s h PRO 246 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3i6s h PRO 246 CO 0.54 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.87 3i6s n ARG 247 N -3.04 2.63 -2.04 1.05 1.74 -0.26 -4.29 116.66 112.46 3i6s n ARG 247 Ca -0.03 -1.65 -0.36 0.00 -0.77 0.00 0.00 57.85 55.04 3i6s n ARG 247 Cb 0.13 -1.11 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3i6s n ARG 247 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i6s s ALA 248 N -0.94 2.66 0.25 7.54 0.00 -0.86 -2.90 121.76 127.51 3i6s s ALA 248 Ca 0.10 1.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.87 3i6s s ALA 248 Cb 0.05 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 3i6s s ALA 248 CO 0.07 -1.08 0.79 1.03 0.00 0.00 0.00 175.76 176.57 3i6s s ARG 249 N -3.17 4.35 -0.18 0.00 1.81 -0.62 -4.91 118.95 116.23 3i6s s ARG 249 Ca 0.74 1.00 -0.05 0.00 -1.72 0.00 0.00 55.73 55.70 3i6s s ARG 249 Cb -0.31 -2.85 -0.03 0.00 -0.45 0.00 0.00 34.95 31.31 3i6s s ARG 249 CO 0.35 0.36 0.01 -0.51 -0.68 0.00 0.00 175.30 174.82 3i6s s LEU 250 N -2.01 3.45 -0.24 2.53 1.43 0.38 -1.87 118.68 122.35 3i6s s LEU 250 Ca 0.45 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 3i6s s LEU 250 Cb -0.17 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.24 3i6s s LEU 250 CO 0.22 0.13 -0.12 0.00 0.23 0.00 0.00 176.35 176.81 3i6s s ALA 251 N 0.59 2.46 -0.09 4.21 0.00 -0.97 -1.13 121.76 126.82 3i6s s ALA 251 Ca -0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 3i6s s ALA 251 Cb -0.14 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 3i6s s ALA 251 CO 0.02 -1.06 0.45 0.08 0.00 0.00 0.00 175.76 175.24 3i6s s VAL 252 N 1.17 5.15 -0.26 0.00 1.01 0.60 -1.36 120.40 126.71 3i6s s VAL 252 Ca -0.06 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 3i6s s VAL 252 Cb -0.19 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.49 3i6s s VAL 252 CO -0.06 0.39 0.04 -0.31 0.00 0.00 0.00 175.10 175.15 3i6s s TYR 253 N 0.20 1.87 -0.27 5.22 1.51 -0.72 -0.40 117.35 124.75 3i6s s TYR 253 Ca 0.25 -1.60 -0.17 0.00 -1.01 0.00 0.00 57.07 54.54 3i6s s TYR 253 Cb -0.15 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 3i6s s TYR 253 CO 0.11 -0.78 0.45 0.21 -1.11 0.00 0.00 175.55 174.43 3i6s s LYS 254 N 1.57 3.99 0.00 -0.62 2.20 0.26 -4.14 119.74 123.00 3i6s s LYS 254 Ca 0.03 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3i6s s LYS 254 Cb -0.18 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 3i6s s LYS 254 CO -0.14 -0.35 0.12 1.97 -0.36 0.00 0.00 175.35 176.59 3i6s n PHE 255 N 5.47 0.00 -3.76 4.03 1.16 -1.26 -0.76 117.46 122.34 3i6s n PHE 255 Ca -0.06 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.15 3i6s n PHE 255 Cb 0.50 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.24 3i6s n PHE 255 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3i6s s SER 256 N -0.73 5.07 0.14 5.98 0.15 -1.26 -4.24 113.70 118.80 3i6s s SER 256 Ca 0.00 -0.31 0.10 0.00 0.70 0.00 0.00 55.95 56.44 3i6s s SER 256 Cb 0.00 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 3i6s s SER 256 CO 0.00 -0.06 -0.23 -0.36 1.20 0.00 0.00 173.24 173.79 3i6s s PHE 257 N 1.59 2.06 0.38 3.44 0.40 -0.68 -4.32 117.98 120.84 3i6s s PHE 257 Ca 0.06 -0.40 0.15 0.00 -0.60 0.00 0.00 56.93 56.14 3i6s s PHE 257 Cb -0.15 -1.08 1.01 0.00 0.51 0.00 0.00 43.02 43.31 3i6s s PHE 257 CO 0.03 0.33 1.80 -0.97 0.70 0.00 0.00 175.22 177.11 3i6s h ASN 258 N 3.69 0.51 0.43 1.36 -0.00 -1.95 0.34 115.58 119.95 3i6s h ASN 258 Ca -0.47 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 55.90 3i6s h ASN 258 Cb 1.19 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 3i6s h ASN 258 CO 0.43 0.16 -0.05 -0.62 -0.00 0.00 0.00 177.43 177.35 3i6s n GLU 259 N -4.62 0.59 0.00 6.67 4.71 -1.26 -4.94 120.64 121.80 3i6s n GLU 259 Ca 0.23 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3i6s n GLU 259 Cb 0.75 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.68 3i6s n GLU 259 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i6s n GLY 260 N 1.25 3.42 2.98 0.62 0.00 0.11 -5.09 105.19 108.48 3i6s n GLY 260 Ca 0.15 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 3i6s n GLY 260 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6s s THR 261 N -2.00 1.26 -0.13 2.61 2.01 -1.26 -1.68 115.64 116.45 3i6s s THR 261 Ca 0.00 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3i6s s THR 261 Cb 0.00 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.32 3i6s s THR 261 CO 0.00 0.40 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.75 3i6s s PHE 262 N 1.30 2.63 0.19 4.92 0.40 -1.26 -5.02 117.98 121.14 3i6s s PHE 262 Ca -0.01 -1.26 -0.14 0.00 -0.60 0.00 0.00 56.93 54.91 3i6s s PHE 262 Cb -0.14 -1.78 0.20 0.00 0.51 0.00 0.00 43.02 41.82 3i6s s PHE 262 CO -0.05 -0.56 1.30 2.41 0.70 0.00 0.00 175.22 179.02 3i6s n THR 263 N 3.93 -0.44 0.01 0.64 -1.04 -1.26 -0.57 114.28 115.55 3i6s n THR 263 Ca -0.20 1.96 0.00 0.00 -2.04 0.00 0.00 64.05 63.77 3i6s n THR 263 Cb 0.52 -2.59 0.31 0.00 -1.82 0.00 0.00 70.33 66.75 3i6s n THR 263 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3i6s h SER 264 N 0.00 0.47 -0.50 8.00 4.64 -1.99 -0.96 113.55 123.22 3i6s h SER 264 Ca 0.29 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.45 3i6s h SER 264 Cb 0.50 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3i6s h SER 264 CO -0.83 0.55 0.01 0.44 -0.87 0.00 0.00 176.83 176.13 3i6s h ASP 265 N 0.49 0.86 -0.08 4.97 3.32 -1.16 0.60 116.42 125.41 3i6s h ASP 265 Ca 0.10 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3i6s h ASP 265 Cb 0.32 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3i6s h ASP 265 CO 0.01 0.95 -0.19 0.25 -1.72 0.00 0.00 179.24 178.54 3i6s h LEU 266 N 0.74 -0.58 -0.69 1.55 5.85 -0.30 0.56 115.31 122.45 3i6s h LEU 266 Ca 0.14 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3i6s h LEU 266 Cb 0.50 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3i6s h LEU 266 CO 0.02 -0.25 0.37 0.40 -0.34 0.00 0.00 178.44 178.64 3i6s h ILE 267 N -0.27 1.22 -0.56 4.05 2.04 -1.02 -1.14 117.51 121.84 3i6s h ILE 267 Ca 0.08 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3i6s h ILE 267 Cb 0.38 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3i6s h ILE 267 CO -0.23 0.24 0.27 0.00 0.00 0.00 0.00 178.15 178.43 3i6s h ALA 268 N 1.18 1.43 0.04 1.87 0.00 -0.54 -0.67 119.26 122.57 3i6s h ALA 268 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i6s h ALA 268 Cb 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i6s h ALA 268 CO -0.04 0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3i6s h ALA 269 N 1.52 -0.06 -0.19 0.00 0.00 -0.20 -1.76 119.26 118.57 3i6s h ALA 269 Ca 0.20 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3i6s h ALA 269 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3i6s h ALA 269 CO -0.03 -0.35 -0.03 0.52 0.00 0.00 0.00 179.25 179.36 3i6s h MET 270 N -0.43 0.02 -0.78 0.00 2.07 -0.99 -0.89 114.93 113.93 3i6s h MET 270 Ca -0.01 -0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.66 3i6s h MET 270 Cb 0.39 -0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.07 3i6s h MET 270 CO 0.01 0.01 0.49 -0.44 1.07 0.00 0.00 176.91 178.05 3i6s h ASP 271 N 0.02 0.80 -0.64 1.22 3.32 -1.14 0.03 116.42 120.03 3i6s h ASP 271 Ca 0.09 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3i6s h ASP 271 Cb 0.13 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3i6s h ASP 271 CO -0.18 0.54 0.25 -0.61 -1.72 0.00 0.00 179.24 177.52 3i6s h GLN 272 N 0.94 0.98 -0.11 3.56 5.75 -0.91 0.32 115.11 125.65 3i6s h GLN 272 Ca 0.32 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3i6s h GLN 272 Cb 0.05 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 3i6s h GLN 272 CO -0.13 0.81 -0.01 0.00 -2.65 0.00 0.00 178.83 176.85 3i6s h ALA 273 N 1.31 0.15 -0.40 3.38 0.00 0.21 0.39 119.26 124.30 3i6s h ALA 273 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3i6s h ALA 273 Cb 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i6s h ALA 273 CO -0.02 -0.14 0.19 0.28 0.00 0.00 0.00 179.25 179.57 3i6s h VAL 274 N -0.10 0.97 -0.19 0.00 2.07 -0.89 -1.52 116.25 116.60 3i6s h VAL 274 Ca 0.03 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3i6s h VAL 274 Cb 0.39 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3i6s h VAL 274 CO 0.01 0.07 0.13 0.00 0.02 0.00 0.00 177.57 177.80 3i6s h ALA 275 N 1.21 2.00 0.00 1.67 0.00 -0.73 -0.94 119.26 122.47 3i6s h ALA 275 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i6s h ALA 275 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i6s h ALA 275 CO -0.12 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.85 3i6s n ASP 276 N -4.50 0.01 0.00 0.00 10.43 0.11 -4.89 116.55 117.70 3i6s n ASP 276 Ca 0.01 0.50 0.00 0.00 2.57 0.00 0.00 54.79 57.87 3i6s n ASP 276 Cb 0.16 -0.50 0.00 0.00 1.84 0.00 0.00 41.12 42.62 3i6s n ASP 276 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i6s n GLY 277 N 0.88 0.73 3.76 0.44 0.00 -0.36 -4.67 105.19 105.96 3i6s n GLY 277 Ca 0.06 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 3i6s n GLY 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 278 N -2.00 2.08 0.03 1.61 1.01 -1.14 -4.96 120.40 117.03 3i6s s VAL 278 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3i6s s VAL 278 Cb 0.00 -3.03 -0.25 0.00 0.00 0.00 0.00 36.38 33.09 3i6s s VAL 278 CO 0.00 0.00 0.94 0.44 0.00 0.00 0.00 175.10 176.49 3i6s h ASP 279 N 1.83 0.24 -5.10 3.32 5.19 -1.20 -3.46 116.42 117.23 3i6s h ASP 279 Ca -0.51 -0.32 -0.10 0.00 -0.62 0.00 0.00 57.03 55.48 3i6s h ASP 279 Cb 1.29 -0.08 -0.16 0.00 0.18 0.00 0.00 39.33 40.56 3i6s h ASP 279 CO 0.59 1.27 -0.37 -0.04 -3.12 0.00 0.00 179.24 177.56 3i6s s MET 280 N -2.64 0.76 -0.06 3.56 -1.94 -0.80 -4.19 119.30 114.00 3i6s s MET 280 Ca -0.06 -0.75 0.04 0.00 -1.71 0.00 0.00 55.69 53.21 3i6s s MET 280 Cb 0.08 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.23 3i6s s MET 280 CO 0.84 -0.23 -0.17 0.42 -0.01 0.00 0.00 175.02 175.87 3i6s s ILE 281 N -3.09 1.49 -0.15 2.53 1.01 -0.62 -0.82 121.20 121.55 3i6s s ILE 281 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.92 3i6s s ILE 281 Cb 0.01 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 3i6s s ILE 281 CO -0.07 0.43 -0.16 -0.55 0.00 0.00 0.00 174.94 174.59 3i6s s SER 282 N 0.21 3.57 -0.06 3.58 0.15 0.85 -0.65 113.70 121.35 3i6s s SER 282 Ca -0.09 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.05 3i6s s SER 282 Cb -0.14 -1.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.67 3i6s s SER 282 CO 0.04 0.09 0.06 -0.51 1.20 0.00 0.00 173.24 174.11 3i6s s ILE 283 N 0.78 -0.04 -0.94 6.45 2.07 -0.28 -1.90 121.20 127.34 3i6s s ILE 283 Ca -0.06 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.48 3i6s s ILE 283 Cb -0.15 -0.26 0.32 0.00 0.13 0.00 0.00 42.46 42.50 3i6s s ILE 283 CO 0.00 0.12 1.65 -1.20 -1.91 0.00 0.00 174.94 173.60 3i6s n SER 284 N 5.28 6.77 -3.95 4.50 7.64 -1.26 -3.11 113.62 129.49 3i6s n SER 284 Ca -0.04 -3.68 -0.09 0.00 1.01 0.00 0.00 58.87 56.07 3i6s n SER 284 Cb 0.50 -1.06 -0.09 0.00 -1.01 0.00 0.00 64.21 62.55 3i6s n SER 284 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3i6s s TYR 285 N -4.11 0.25 -0.11 1.43 1.51 -1.26 -4.88 117.35 110.17 3i6s s TYR 285 Ca 0.41 -0.62 -0.29 0.00 -1.01 0.00 0.00 57.07 55.56 3i6s s TYR 285 Cb 0.20 -0.17 0.07 0.00 -0.11 0.00 0.00 41.96 41.95 3i6s s TYR 285 CO -0.12 -0.39 0.70 0.20 -1.11 0.00 0.00 175.55 174.82 3i6s s GLY 286 N -2.37 -0.56 0.06 0.71 0.00 -1.26 -4.61 107.32 99.29 3i6s s GLY 286 Ca -0.01 1.52 0.08 0.00 0.00 0.00 0.00 44.72 46.31 3i6s s GLY 286 CO -0.07 1.16 -0.23 -0.19 0.00 0.00 0.00 173.10 173.77 3i6s s TYR 287 N -0.80 2.00 0.36 1.90 1.51 -1.26 -5.05 117.35 116.01 3i6s s TYR 287 Ca -0.08 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.68 3i6s s TYR 287 Cb -0.01 -1.17 -0.07 0.00 -0.11 0.00 0.00 41.96 40.60 3i6s s TYR 287 CO 0.07 0.14 -0.06 1.03 -1.11 0.00 0.00 175.55 175.63 3i6s s ARG 288 N -1.40 1.88 -0.43 -0.62 0.52 -1.26 -4.58 118.95 113.06 3i6s s ARG 288 Ca 0.09 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 3i6s s ARG 288 Cb -0.09 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.67 3i6s s ARG 288 CO 0.03 0.09 0.00 1.19 0.02 0.00 0.00 175.30 176.62 3i6s n PHE 289 N -0.86 -0.02 -4.14 -0.53 0.99 -1.26 -5.03 117.46 106.61 3i6s n PHE 289 Ca -0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.25 3i6s n PHE 289 Cb 0.64 -1.15 -0.14 0.00 -1.00 0.00 0.00 39.48 37.83 3i6s n PHE 289 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 3i6s s ILE 290 N -2.16 0.39 0.75 4.37 -0.00 -1.26 -5.00 121.20 118.29 3i6s s ILE 290 Ca 0.00 -0.23 -0.14 0.00 -0.00 0.00 0.00 60.65 60.28 3i6s s ILE 290 Cb 0.00 -0.33 0.05 0.00 -0.00 0.00 0.00 42.46 42.18 3i6s s ILE 290 CO 0.00 0.10 1.18 -2.16 -0.00 0.00 0.00 174.94 174.05 3i6s s PRO 291 N -0.15 2.06 0.31 0.37 0.04 -1.22 -4.72 135.00 131.69 3i6s s PRO 291 Ca 0.02 1.64 0.08 0.00 0.04 0.00 0.00 61.00 62.77 3i6s s PRO 291 Cb -0.02 -1.84 0.86 0.00 0.04 0.00 0.00 34.50 33.54 3i6s s PRO 291 CO -0.00 -1.87 1.69 -0.07 0.04 0.00 0.00 177.00 176.79 3i6s h LEU 292 N -0.55 0.40 0.00 -3.56 3.38 -1.90 0.17 115.31 113.25 3i6s h LEU 292 Ca -0.47 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3i6s h LEU 292 Cb 1.28 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3i6s h LEU 292 CO 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3i6s n TYR 293 N -5.04 0.00 -0.21 1.13 4.11 -1.26 -1.39 117.16 114.49 3i6s n TYR 293 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.16 3i6s n TYR 293 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.11 3i6s n TYR 293 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3i6s n GLU 294 N -0.77 0.15 -3.03 -3.48 1.02 0.55 -4.84 120.64 110.24 3i6s n GLU 294 Ca 0.11 -0.66 -0.44 0.00 -0.02 0.00 0.00 57.16 56.15 3i6s n GLU 294 Cb 0.05 -0.89 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 3i6s n GLU 294 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i6s s ASP 295 N -0.23 6.21 0.13 1.62 -1.08 -0.49 -4.92 116.67 117.91 3i6s s ASP 295 Ca 0.00 -1.07 -0.28 0.00 -0.52 0.00 0.00 52.55 50.68 3i6s s ASP 295 Cb 0.00 -2.34 -0.05 0.00 -1.46 0.00 0.00 42.92 39.06 3i6s s ASP 295 CO 0.00 -1.16 1.60 0.00 0.52 0.00 0.00 175.17 176.13 3i6s h ALA 296 N 9.25 -0.52 -0.65 3.66 0.00 -1.93 -0.26 119.26 128.81 3i6s h ALA 296 Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3i6s h ALA 296 Cb 1.08 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 3i6s h ALA 296 CO 1.09 -0.88 0.35 0.82 0.00 0.00 0.00 179.25 180.63 3i6s h ILE 297 N -0.49 1.20 -0.08 0.00 2.04 -1.94 -1.96 117.51 116.28 3i6s h ILE 297 Ca 0.07 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3i6s h ILE 297 Cb 0.60 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3i6s h ILE 297 CO -0.32 0.22 -0.01 -1.28 0.00 0.00 0.00 178.15 176.75 3i6s h SER 298 N 0.90 0.15 -0.25 1.72 0.87 -1.76 0.16 113.55 115.34 3i6s h SER 298 Ca 0.23 -0.34 0.06 0.00 -1.23 0.00 0.00 61.79 60.51 3i6s h SER 298 Cb 0.03 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 61.88 3i6s h SER 298 CO -0.04 0.46 -0.18 0.40 -0.53 0.00 0.00 176.83 176.95 3i6s h ILE 299 N -0.16 0.51 -0.49 2.23 2.04 -0.77 -0.03 117.51 120.83 3i6s h ILE 299 Ca 0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 3i6s h ILE 299 Cb 0.39 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3i6s h ILE 299 CO 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.11 3i6s h ALA 300 N 0.98 0.99 -0.46 1.87 0.00 -1.35 -3.03 119.26 118.27 3i6s h ALA 300 Ca 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3i6s h ALA 300 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i6s h ALA 300 CO -0.35 0.61 0.15 0.77 0.00 0.00 0.00 179.25 180.43 3i6s h SER 301 N 0.79 0.66 -0.71 0.00 0.02 -0.27 -0.91 113.55 113.14 3i6s h SER 301 Ca 0.14 -0.20 0.15 0.00 -0.84 0.00 0.00 61.79 61.04 3i6s h SER 301 Cb 0.53 -0.17 -0.11 0.00 0.14 0.00 0.00 62.40 62.79 3i6s h SER 301 CO 0.03 0.69 0.14 0.15 -1.14 0.00 0.00 176.83 176.70 3i6s h PHE 302 N 0.60 0.20 -0.43 3.45 3.57 -0.92 0.42 116.94 123.83 3i6s h PHE 302 Ca 0.15 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3i6s h PHE 302 Cb 0.26 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3i6s h PHE 302 CO 0.01 -0.10 0.25 0.78 -2.23 0.00 0.00 178.31 177.02 3i6s h GLY 303 N 0.23 0.64 0.94 2.40 0.00 -1.28 -0.19 103.07 105.82 3i6s h GLY 303 Ca 0.39 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.45 3i6s h GLY 303 CO -0.51 0.27 0.14 0.00 0.00 0.00 0.00 176.54 176.44 3i6s h ALA 304 N 1.10 0.30 -0.64 3.60 0.00 0.25 -2.60 119.26 121.28 3i6s h ALA 304 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i6s h ALA 304 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3i6s h ALA 304 CO -0.03 -0.25 0.41 1.98 0.00 0.00 0.00 179.25 181.36 3i6s h MET 305 N 0.29 0.85 -0.31 0.00 -1.53 -0.04 -0.46 114.93 113.72 3i6s h MET 305 Ca 0.10 -0.06 0.09 0.00 -3.44 0.00 0.00 59.70 56.39 3i6s h MET 305 Cb 0.00 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 30.85 3i6s h MET 305 CO -0.05 0.57 0.32 0.52 0.14 0.00 0.00 176.91 178.42 3i6s h MET 306 N 0.87 0.00 -0.31 0.39 2.86 -0.66 -1.19 114.93 116.89 3i6s h MET 306 Ca 0.23 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 3i6s h MET 306 Cb -0.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3i6s h MET 306 CO -0.05 0.00 0.01 1.63 1.06 0.00 0.00 176.91 179.56 3i6s n LYS 307 N -3.84 2.75 -1.06 1.72 5.02 -0.60 -4.85 118.16 117.31 3i6s n LYS 307 Ca 0.05 -2.92 -0.02 0.00 -2.02 0.00 0.00 58.31 53.39 3i6s n LYS 307 Cb 0.48 -1.86 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3i6s n LYS 307 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i6s n GLY 308 N -0.62 0.55 3.39 0.72 0.00 -0.45 -5.02 105.19 103.76 3i6s n GLY 308 Ca 0.25 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 3i6s n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 309 N -2.03 4.03 0.27 1.61 1.01 -0.28 -4.43 120.40 120.58 3i6s s VAL 309 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3i6s s VAL 309 Cb 0.00 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 3i6s s VAL 309 CO 0.00 0.27 0.96 -0.22 0.00 0.00 0.00 175.10 176.11 3i6s s LEU 310 N 1.55 4.54 -0.17 3.92 2.96 -1.26 -3.16 118.68 127.06 3i6s s LEU 310 Ca 0.05 1.95 -0.02 0.00 -0.22 0.00 0.00 54.13 55.89 3i6s s LEU 310 Cb -0.16 -3.74 -0.01 0.00 0.50 0.00 0.00 46.19 42.78 3i6s s LEU 310 CO 0.02 0.05 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.33 3i6s s VAL 311 N -1.32 3.30 -0.22 1.68 1.01 -1.26 -1.60 120.40 122.00 3i6s s VAL 311 Ca 0.44 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 3i6s s VAL 311 Cb -0.24 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3i6s s VAL 311 CO 0.30 0.49 0.10 -0.44 0.00 0.00 0.00 175.10 175.55 3i6s s SER 312 N 0.75 5.69 0.06 3.32 0.01 0.17 -0.50 113.70 123.20 3i6s s SER 312 Ca -0.04 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.28 3i6s s SER 312 Cb -0.15 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 3i6s s SER 312 CO 0.02 0.09 -0.09 0.00 0.41 0.00 0.00 173.24 173.67 3i6s s ALA 313 N 0.88 0.75 0.40 1.44 0.00 -0.50 -1.13 121.76 123.60 3i6s s ALA 313 Ca 0.05 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 3i6s s ALA 313 Cb -0.13 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 3i6s s ALA 313 CO 0.03 -0.03 1.06 -1.54 0.00 0.00 0.00 175.76 175.27 3i6s s SER 314 N -1.90 6.74 0.19 0.00 1.04 -1.18 -0.99 113.70 117.61 3i6s s SER 314 Ca -0.04 2.07 0.25 0.00 0.48 0.00 0.00 55.95 58.70 3i6s s SER 314 Cb -0.07 -2.59 0.90 0.00 0.10 0.00 0.00 66.02 64.37 3i6s s SER 314 CO -0.00 -0.50 1.74 0.00 0.98 0.00 0.00 173.24 175.46 3i6s n ALA 315 N -0.03 2.01 0.00 5.32 0.00 -0.07 -4.59 120.51 123.14 3i6s n ALA 315 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3i6s n ALA 315 Cb 0.49 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3i6s n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6s n GLY 316 N 0.74 1.37 1.06 0.00 0.00 -1.26 -1.66 105.19 105.44 3i6s n GLY 316 Ca 0.04 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 3i6s n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i6s n ASN 317 N -0.11 2.33 -1.63 1.61 3.02 -1.26 -1.12 115.26 118.11 3i6s n ASN 317 Ca 0.00 -3.64 0.07 0.00 -0.03 0.00 0.00 54.58 50.98 3i6s n ASN 317 Cb 0.00 -0.47 0.37 0.00 -0.61 0.00 0.00 39.78 39.07 3i6s n ASN 317 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i6s n ARG 318 N -0.87 4.38 -0.47 3.52 5.12 -1.11 -4.73 116.66 122.51 3i6s n ARG 318 Ca 0.23 -3.08 -0.29 0.00 -1.93 0.00 0.00 57.85 52.78 3i6s n ARG 318 Cb 0.80 -2.15 0.27 0.00 -1.16 0.00 0.00 32.46 30.21 3i6s n ARG 318 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3i6s s GLY 319 N -1.09 1.50 0.00 -0.13 0.00 0.66 -4.23 107.32 104.02 3i6s s GLY 319 Ca 0.51 -0.37 0.22 0.00 0.00 0.00 0.00 44.72 45.09 3i6s s GLY 319 CO 0.14 0.46 1.49 -1.55 0.00 0.00 0.00 173.10 173.65 3i6s n PRO 320 N -5.20 2.68 -1.45 2.90 -0.04 -1.02 -4.53 135.00 128.33 3i6s n PRO 320 Ca 0.05 -2.55 -0.36 0.00 -0.04 0.00 0.00 63.50 60.61 3i6s n PRO 320 Cb 0.56 -1.54 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 3i6s n PRO 320 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i6s n GLY 321 N 1.56 0.10 3.76 0.55 0.00 -1.26 -4.76 105.19 105.14 3i6s n GLY 321 Ca 0.23 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3i6s n GLY 321 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i6s s ILE 322 N -1.71 2.38 -1.47 -0.61 2.07 -1.26 -3.24 121.20 117.37 3i6s s ILE 322 Ca 0.77 0.32 -0.10 0.00 -1.41 0.00 0.00 60.65 60.23 3i6s s ILE 322 Cb -0.35 -3.18 0.05 0.00 0.13 0.00 0.00 42.46 39.12 3i6s s ILE 322 CO 0.46 0.03 0.88 0.61 -1.91 0.00 0.00 174.94 175.00 3i6s n GLY 323 N 0.63 -0.51 0.55 1.50 0.00 -0.08 -4.87 105.19 102.40 3i6s n GLY 323 Ca 0.06 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.38 3i6s n GLY 323 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i6s n SER 324 N -2.72 2.03 -4.88 1.61 3.41 0.53 -4.66 113.62 108.94 3i6s n SER 324 Ca -0.00 -1.51 -0.30 0.00 -0.26 0.00 0.00 58.87 56.79 3i6s n SER 324 Cb 0.55 0.29 0.03 0.00 -0.26 0.00 0.00 64.21 64.83 3i6s n SER 324 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3i6s s LEU 325 N -2.35 3.03 0.48 1.04 0.05 -0.99 -4.61 118.68 115.32 3i6s s LEU 325 Ca 0.23 1.23 0.02 0.00 0.05 0.00 0.00 54.13 55.65 3i6s s LEU 325 Cb 0.19 -4.12 -0.02 0.00 -2.05 0.00 0.00 46.19 40.20 3i6s s LEU 325 CO 0.49 -1.16 0.05 0.54 -0.55 0.00 0.00 176.35 175.72 3i6s s ASN 326 N -4.29 3.65 -1.85 1.48 6.03 -0.67 -4.69 114.94 114.59 3i6s s ASN 326 Ca 0.57 -1.67 0.00 0.00 -1.03 0.00 0.00 52.86 50.73 3i6s s ASN 326 Cb -0.11 0.53 0.00 0.00 -3.03 0.00 0.00 41.25 38.64 3i6s s ASN 326 CO 0.52 -0.89 0.00 0.59 -2.03 0.00 0.00 177.10 175.29 3i6s n ASN 327 N -1.30 -5.19 -3.40 3.54 3.02 -1.26 -4.50 115.26 106.18 3i6s n ASN 327 Ca -0.14 0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 3i6s n ASN 327 Cb 0.66 -4.50 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 3i6s n ASN 327 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i6s n GLY 328 N -0.60 4.62 3.58 7.41 0.00 -1.26 -4.65 105.19 114.28 3i6s n GLY 328 Ca -0.20 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 3i6s n GLY 328 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i6s s SER 329 N 1.53 4.58 0.57 1.61 0.01 -1.26 -4.20 113.70 116.54 3i6s s SER 329 Ca 0.63 -0.12 0.27 0.00 1.31 0.00 0.00 55.95 58.04 3i6s s SER 329 Cb 0.18 -1.08 1.50 0.00 0.21 0.00 0.00 66.02 66.83 3i6s s SER 329 CO -0.07 0.31 2.01 -0.65 0.41 0.00 0.00 173.24 175.24 3i6s h PRO 330 N 4.76 0.00 -0.72 12.44 0.11 -1.93 -0.44 132.00 146.21 3i6s h PRO 330 Ca -0.48 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.42 3i6s h PRO 330 Cb 1.17 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 3i6s h PRO 330 CO 0.53 0.00 0.25 -2.67 -0.21 0.00 0.00 178.00 175.90 3i6s n TRP 331 N -4.01 2.40 -4.39 0.65 2.14 -1.26 -4.90 117.44 108.07 3i6s n TRP 331 Ca 0.06 -1.20 -0.20 0.00 2.07 0.00 0.00 57.50 58.24 3i6s n TRP 331 Cb 0.51 -0.68 -0.14 0.00 -0.81 0.00 0.00 31.31 30.20 3i6s n TRP 331 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3i6s s ILE 332 N -3.00 0.97 -0.58 -1.67 1.01 -0.18 -4.65 121.20 113.10 3i6s s ILE 332 Ca 0.55 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 3i6s s ILE 332 Cb 0.44 -0.86 0.05 0.00 0.01 0.00 0.00 42.46 42.10 3i6s s ILE 332 CO 0.13 0.09 0.92 -0.22 0.00 0.00 0.00 174.94 175.86 3i6s s LEU 333 N -0.77 4.25 -0.37 2.97 2.96 0.35 -4.76 118.68 123.31 3i6s s LEU 333 Ca 0.02 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.17 3i6s s LEU 333 Cb -0.06 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 43.95 3i6s s LEU 333 CO 0.00 -1.25 0.51 0.00 -1.32 0.00 0.00 176.35 174.29 3i6s s VAL 335 N 2.39 4.68 0.37 0.00 1.01 -0.16 -0.69 120.40 128.01 3i6s s VAL 335 Ca 0.18 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3i6s s VAL 335 Cb -0.16 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 3i6s s VAL 335 CO 0.14 0.45 0.53 0.00 0.00 0.00 0.00 175.10 176.22 3i6s s ALA 336 N 0.53 4.13 -0.16 5.51 0.00 -0.17 -0.89 121.76 130.71 3i6s s ALA 336 Ca 0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 3i6s s ALA 336 Cb -0.13 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 3i6s s ALA 336 CO 0.01 -0.15 -0.05 0.45 0.00 0.00 0.00 175.76 176.02 3i6s s SER 337 N -4.20 4.62 0.18 0.00 0.15 -1.26 -1.96 113.70 111.23 3i6s s SER 337 Ca 0.47 -0.19 0.09 0.00 0.70 0.00 0.00 55.95 57.02 3i6s s SER 337 Cb -0.10 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 3i6s s SER 337 CO 0.33 0.14 -0.12 -0.83 1.20 0.00 0.00 173.24 173.96 3i6s s GLY 338 N 0.51 1.73 0.58 9.45 0.00 0.23 -1.39 107.32 118.43 3i6s s GLY 338 Ca -0.04 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 43.02 3i6s s GLY 338 CO 0.03 -1.52 1.05 0.30 0.00 0.00 0.00 173.10 172.95 3i6s s HIS 339 N -1.70 3.05 0.00 1.90 3.76 0.58 -1.61 115.29 121.26 3i6s s HIS 339 Ca 0.24 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.65 3i6s s HIS 339 Cb -0.09 -2.98 0.00 0.00 1.11 0.00 0.00 32.58 30.62 3i6s s HIS 339 CO 0.14 -1.02 0.00 0.25 -0.85 0.00 0.00 174.74 173.26 3i6s n THR 340 N -1.98 0.00 -0.41 1.30 -2.24 -1.26 -3.49 114.28 106.19 3i6s n THR 340 Ca 0.08 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 3i6s n THR 340 Cb 0.53 -1.03 0.33 0.00 -2.10 0.00 0.00 70.33 68.06 3i6s n THR 340 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i6s n ASP 341 N -1.27 4.42 -4.83 3.42 3.85 -1.26 -4.82 116.55 116.05 3i6s n ASP 341 Ca 0.00 -2.41 -0.37 0.00 -0.71 0.00 0.00 54.79 51.30 3i6s n ASP 341 Cb 0.00 -0.56 -0.06 0.00 -1.35 0.00 0.00 41.12 39.15 3i6s n ASP 341 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3i6s s ARG 342 N -1.84 3.99 0.05 0.11 3.52 -1.26 -2.25 118.95 121.27 3i6s s ARG 342 Ca 0.47 0.49 -0.03 0.00 -0.13 0.00 0.00 55.73 56.54 3i6s s ARG 342 Cb 0.30 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 3i6s s ARG 342 CO 0.23 0.61 0.02 -0.08 -0.81 0.00 0.00 175.30 175.26 3i6s s THR 343 N -1.22 0.19 -0.08 4.11 -1.32 0.17 -4.97 115.64 112.52 3i6s s THR 343 Ca 0.30 -1.56 0.04 0.00 -1.21 0.00 0.00 61.69 59.25 3i6s s THR 343 Cb -0.17 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 3i6s s THR 343 CO 0.17 -0.86 -0.19 -0.36 -2.21 0.00 0.00 174.62 171.17 3i6s s PHE 344 N -3.60 2.05 -0.05 9.09 0.40 -1.26 -0.71 117.98 123.91 3i6s s PHE 344 Ca 0.04 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.65 3i6s s PHE 344 Cb 0.05 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.16 3i6s s PHE 344 CO -0.09 -0.33 -0.25 0.00 0.70 0.00 0.00 175.22 175.26 3i6s s ALA 345 N 0.39 2.11 -0.48 5.36 0.00 0.19 -1.96 121.76 127.37 3i6s s ALA 345 Ca -0.15 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 3i6s s ALA 345 Cb -0.16 -0.63 0.12 0.00 0.00 0.00 0.00 23.12 22.45 3i6s s ALA 345 CO 0.06 0.43 0.36 0.20 0.00 0.00 0.00 175.76 176.81 3i6s s GLY 346 N -0.25 2.07 0.11 0.00 0.00 -1.22 -3.27 107.32 104.76 3i6s s GLY 346 Ca -0.00 -2.58 -0.31 0.00 0.00 0.00 0.00 44.72 41.83 3i6s s GLY 346 CO 0.02 1.11 1.70 -1.59 0.00 0.00 0.00 173.10 174.35 3i6s s THR 347 N 1.30 2.74 -0.25 0.90 2.01 -1.08 -2.92 115.64 118.35 3i6s s THR 347 Ca 0.06 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 3i6s s THR 347 Cb -0.26 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 3i6s s THR 347 CO -0.01 0.01 0.08 -0.22 -0.69 0.00 0.00 174.62 173.79 3i6s s LEU 348 N 2.32 3.53 -0.14 4.42 2.96 0.28 -2.40 118.68 129.66 3i6s s LEU 348 Ca 0.75 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3i6s s LEU 348 Cb -0.43 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.32 3i6s s LEU 348 CO 0.33 -0.02 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.25 3i6s s THR 349 N 1.50 2.25 0.55 3.68 2.01 0.32 0.84 115.64 126.79 3i6s s THR 349 Ca 0.06 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 3i6s s THR 349 Cb -0.15 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.47 3i6s s THR 349 CO 0.04 0.54 0.81 -0.76 -0.69 0.00 0.00 174.62 174.57 3i6s s LEU 350 N 0.70 3.34 0.33 4.42 1.02 0.45 0.04 118.68 128.97 3i6s s LEU 350 Ca -0.09 0.43 0.22 0.00 0.02 0.00 0.00 54.13 54.71 3i6s s LEU 350 Cb -0.16 -3.27 1.19 0.00 0.02 0.00 0.00 46.19 43.97 3i6s s LEU 350 CO 0.01 -1.00 1.68 0.61 0.02 0.00 0.00 176.35 177.67 3i6s n GLY 351 N -2.41 -0.90 1.39 -3.19 0.00 0.11 -1.60 105.19 98.60 3i6s n GLY 351 Ca 0.04 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.38 3i6s n GLY 351 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i6s n ASN 352 N -2.28 4.05 0.00 1.61 2.04 -1.26 -4.93 115.26 114.50 3i6s n ASN 352 Ca -0.01 -2.05 0.00 0.00 -0.44 0.00 0.00 54.58 52.08 3i6s n ASN 352 Cb 0.05 -0.50 0.00 0.00 -2.53 0.00 0.00 39.78 36.79 3i6s n ASN 352 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i6s n GLY 353 N 1.62 2.10 3.70 4.83 0.00 -0.63 -5.03 105.19 111.78 3i6s n GLY 353 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3i6s n GLY 353 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i6s s LEU 354 N 0.00 4.39 -0.16 0.99 2.96 -1.26 -4.74 118.68 120.86 3i6s s LEU 354 Ca 0.00 2.78 0.01 0.00 -0.22 0.00 0.00 54.13 56.70 3i6s s LEU 354 Cb 0.00 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.13 3i6s s LEU 354 CO 0.00 -1.00 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.08 3i6s s LYS 355 N 2.47 2.92 -0.08 1.98 2.20 -1.26 -0.41 119.74 127.56 3i6s s LYS 355 Ca 0.80 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 55.62 3i6s s LYS 355 Cb -0.47 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 3i6s s LYS 355 CO 0.36 -0.15 -0.15 0.42 -0.36 0.00 0.00 175.35 175.47 3i6s s ILE 356 N 1.15 1.37 -1.03 5.43 1.01 0.25 -4.97 121.20 124.40 3i6s s ILE 356 Ca 0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 3i6s s ILE 356 Cb -0.14 -1.24 0.12 0.00 0.01 0.00 0.00 42.46 41.22 3i6s s ILE 356 CO -0.09 0.41 1.28 -0.60 0.00 0.00 0.00 174.94 175.94 3i6s s ARG 357 N 0.72 3.73 0.00 2.79 3.52 -1.26 0.10 118.95 128.55 3i6s s ARG 357 Ca -0.13 -1.86 0.00 0.00 -0.13 0.00 0.00 55.73 53.61 3i6s s ARG 357 Cb -0.16 -5.06 0.00 0.00 -1.56 0.00 0.00 34.95 28.17 3i6s s ARG 357 CO 0.03 -1.87 0.00 0.41 -0.81 0.00 0.00 175.30 173.06 3i6s n GLY 358 N 5.39 -0.18 3.57 8.12 0.00 -1.15 -4.98 105.19 115.96 3i6s n GLY 358 Ca 0.30 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 3i6s n GLY 358 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i6s s TRP 359 N -0.36 2.94 -0.13 1.61 -0.11 -0.35 -3.38 118.94 119.16 3i6s s TRP 359 Ca 0.00 -0.03 -0.29 0.00 1.22 0.00 0.00 56.10 57.00 3i6s s TRP 359 Cb 0.00 -1.73 0.08 0.00 -1.50 0.00 0.00 33.47 30.31 3i6s s TRP 359 CO 0.00 0.28 0.74 0.45 -4.62 0.00 0.00 176.95 173.81 3i6s s SER 360 N -0.67 -0.64 -0.02 5.86 0.15 -0.83 -0.77 113.70 116.78 3i6s s SER 360 Ca 0.10 0.86 0.09 0.00 0.70 0.00 0.00 55.95 57.71 3i6s s SER 360 Cb -0.11 0.75 0.16 0.00 -1.71 0.00 0.00 66.02 65.11 3i6s s SER 360 CO 0.02 -0.47 1.07 0.18 1.20 0.00 0.00 173.24 175.24 3i6s n LEU 361 N 1.37 0.59 -4.67 3.45 4.77 -1.26 -3.90 117.00 117.36 3i6s n LEU 361 Ca -0.16 -1.57 -0.51 0.00 -0.03 0.00 0.00 56.01 53.74 3i6s n LEU 361 Cb 0.57 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3i6s n LEU 361 CO 0.17 0.41 1.25 0.33 -1.33 0.00 0.00 177.39 178.22 3i6s n PHE 362 N -0.02 2.08 -0.67 -1.77 7.35 -1.26 -4.64 117.46 118.53 3i6s n PHE 362 Ca 0.04 0.32 -0.07 0.00 -0.76 0.00 0.00 57.45 56.98 3i6s n PHE 362 Cb 0.82 -2.52 0.02 0.00 0.35 0.00 0.00 39.48 38.15 3i6s n PHE 362 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3i6s n PRO 363 N 4.66 1.35 -3.58 -7.13 -0.04 -1.26 -4.59 135.00 124.41 3i6s n PRO 363 Ca 0.21 -0.68 -0.07 0.00 -0.04 0.00 0.00 63.50 62.92 3i6s n PRO 363 Cb 0.23 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 3i6s n PRO 363 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i6s s ALA 364 N -0.78 -1.78 -1.47 0.55 0.00 -1.26 -4.91 121.76 112.11 3i6s s ALA 364 Ca 0.14 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 3i6s s ALA 364 Cb 0.11 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.74 3i6s s ALA 364 CO -0.00 -0.81 2.33 -2.13 0.00 0.00 0.00 175.76 175.15 3i6s n ARG 365 N -0.32 3.09 -1.71 0.00 0.63 -1.26 -4.70 116.66 112.38 3i6s n ARG 365 Ca -0.08 -2.62 -0.38 0.00 -0.92 0.00 0.00 57.85 53.86 3i6s n ARG 365 Cb 0.61 -3.17 0.06 0.00 0.45 0.00 0.00 32.46 30.42 3i6s n ARG 365 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i6s n ALA 366 N 5.42 1.11 -3.75 5.13 0.00 -1.26 -4.97 120.51 122.18 3i6s n ALA 366 Ca 0.56 0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.67 3i6s n ALA 366 Cb 0.36 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.39 3i6s n ALA 366 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3i6s s PHE 367 N -1.38 3.55 -0.26 0.00 5.36 -1.26 -4.65 117.98 119.34 3i6s s PHE 367 Ca 0.79 -2.34 -0.00 0.00 -0.96 0.00 0.00 56.93 54.42 3i6s s PHE 367 Cb -0.40 -3.07 0.08 0.00 -0.34 0.00 0.00 43.02 39.29 3i6s s PHE 367 CO 0.44 -0.95 0.03 0.54 -1.46 0.00 0.00 175.22 173.82 3i6s s VAL 368 N 1.16 1.16 -0.03 3.12 0.11 -1.26 -5.09 120.40 119.57 3i6s s VAL 368 Ca 0.07 -1.26 0.01 0.00 -2.93 0.00 0.00 61.98 57.87 3i6s s VAL 368 Cb -0.22 -1.68 0.01 0.00 -1.53 0.00 0.00 36.38 32.96 3i6s s VAL 368 CO -0.04 -0.39 -0.05 -0.60 -3.33 0.00 0.00 175.10 170.70 3i6s s ARG 369 N 1.52 0.70 -1.58 1.54 3.52 -1.26 -1.49 118.95 121.91 3i6s s ARG 369 Ca 0.03 -0.14 -0.06 0.00 -0.13 0.00 0.00 55.73 55.43 3i6s s ARG 369 Cb -0.18 -0.71 0.06 0.00 -1.56 0.00 0.00 34.95 32.56 3i6s s ARG 369 CO -0.14 -0.01 0.31 -0.25 -0.81 0.00 0.00 175.30 174.41 3i6s n ASP 370 N 3.67 -0.37 -4.89 -2.12 8.00 -1.02 -4.93 116.55 114.89 3i6s n ASP 370 Ca -0.22 -1.16 -0.33 0.00 0.71 0.00 0.00 54.79 53.79 3i6s n ASP 370 Cb 0.53 -2.17 -0.05 0.00 -0.02 0.00 0.00 41.12 39.41 3i6s n ASP 370 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3i6s s SER 371 N -4.08 6.51 0.18 -2.24 0.01 -0.59 -4.75 113.70 108.75 3i6s s SER 371 Ca 0.22 0.60 -0.32 0.00 1.31 0.00 0.00 55.95 57.76 3i6s s SER 371 Cb -0.12 -2.10 -0.12 0.00 0.21 0.00 0.00 66.02 63.89 3i6s s SER 371 CO 0.96 0.13 1.72 -2.65 0.41 0.00 0.00 173.24 173.82 3i6s n PRO 372 N 0.50 2.67 -4.53 12.44 -0.02 -1.26 -0.56 135.00 144.25 3i6s n PRO 372 Ca -0.06 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.05 3i6s n PRO 372 Cb 0.52 -2.81 -0.11 0.00 -0.02 0.00 0.00 33.50 31.08 3i6s n PRO 372 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i6s s VAL 373 N 1.45 3.85 0.03 -1.45 1.01 -0.29 -0.38 120.40 124.62 3i6s s VAL 373 Ca 0.77 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.41 3i6s s VAL 373 Cb -0.53 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3i6s s VAL 373 CO 0.34 0.57 -0.21 0.27 0.00 0.00 0.00 175.10 176.08 3i6s s ILE 374 N -0.50 1.65 -0.26 2.22 -4.36 0.35 -4.68 121.20 115.63 3i6s s ILE 374 Ca 0.08 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 3i6s s ILE 374 Cb -0.12 -1.42 0.07 0.00 1.25 0.00 0.00 42.46 42.24 3i6s s ILE 374 CO 0.02 0.27 0.01 -0.47 0.24 0.00 0.00 174.94 175.01 3i6s s TYR 375 N -0.72 2.12 -0.29 1.37 5.04 -1.26 -1.96 117.35 121.65 3i6s s TYR 375 Ca 0.08 -1.72 -0.00 0.00 -2.44 0.00 0.00 57.07 52.98 3i6s s TYR 375 Cb -0.09 -1.66 0.09 0.00 0.35 0.00 0.00 41.96 40.66 3i6s s TYR 375 CO 0.01 -0.79 0.07 1.21 -1.34 0.00 0.00 175.55 174.71 3i6s s ASN 376 N 1.48 3.99 0.53 4.32 3.84 -1.26 -5.00 114.94 122.83 3i6s s ASN 376 Ca 0.01 -1.56 0.42 0.00 0.21 0.00 0.00 52.86 51.94 3i6s s ASN 376 Cb -0.18 -0.98 1.62 0.00 -0.55 0.00 0.00 41.25 41.16 3i6s s ASN 376 CO -0.11 -0.38 1.65 0.11 -2.79 0.00 0.00 177.10 175.58 3i6s h LYS 377 N 8.03 0.02 0.00 0.43 1.79 -1.96 0.81 116.57 125.69 3i6s h LYS 377 Ca -0.13 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.30 3i6s h LYS 377 Cb 1.03 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3i6s h LYS 377 CO 0.46 0.02 -0.16 1.15 -1.08 0.00 0.00 179.45 179.84 3i6s h THR 378 N 0.02 0.87 0.00 -0.16 2.02 -2.02 -3.23 112.91 110.41 3i6s h THR 378 Ca 0.81 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 67.41 3i6s h THR 378 Cb 3.11 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.86 3i6s h THR 378 CO -0.09 0.15 0.00 0.00 0.37 0.00 0.00 175.52 175.95 3i6s n LEU 379 N -4.00 0.02 0.31 2.58 -0.00 0.13 -4.76 117.00 111.28 3i6s n LEU 379 Ca -0.02 -0.36 0.06 0.00 -0.00 0.00 0.00 56.01 55.69 3i6s n LEU 379 Cb 0.24 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 43.99 3i6s n LEU 379 CO 0.33 0.00 1.01 -1.28 -0.00 0.00 0.00 177.39 177.46 3i6s h SER 380 N 0.00 0.00 0.10 1.45 0.87 0.37 0.72 113.55 117.05 3i6s h SER 380 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3i6s h SER 380 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3i6s h SER 380 CO 0.00 0.00 -0.34 -0.78 -0.53 0.00 0.00 176.83 175.18 3i6s h ASP 381 N 0.00 0.36 -5.82 6.23 3.58 -1.84 0.43 116.42 119.37 3i6s h ASP 381 Ca 0.00 -0.14 -0.36 0.00 0.42 0.00 0.00 57.03 56.95 3i6s h ASP 381 Cb 1.36 -0.10 0.13 0.00 1.72 0.00 0.00 39.33 42.44 3i6s h ASP 381 CO 0.00 0.68 -0.80 0.00 -2.88 0.00 0.00 179.24 176.24 3i6s n SER 383 N -3.10 0.01 -4.40 0.00 3.41 -1.26 -4.21 113.62 104.07 3i6s n SER 383 Ca -0.27 -0.26 -0.36 0.00 -0.26 0.00 0.00 58.87 57.72 3i6s n SER 383 Cb 0.67 0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 65.01 3i6s n SER 383 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i6s s SER 384 N -0.52 4.91 0.12 4.04 0.15 -1.26 -4.98 113.70 116.17 3i6s s SER 384 Ca 0.00 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.16 3i6s s SER 384 Cb 0.00 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 3i6s s SER 384 CO 0.00 -0.05 1.60 -0.33 1.20 0.00 0.00 173.24 175.66 3i6s h GLU 385 N 8.21 0.60 0.01 5.44 5.08 -1.95 -2.38 114.58 129.58 3i6s h GLU 385 Ca -0.38 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 3i6s h GLU 385 Cb 1.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3i6s h GLU 385 CO 0.59 0.65 -0.04 1.49 -1.00 0.00 0.00 179.01 180.70 3i6s h GLU 386 N 0.44 -0.08 0.19 2.33 4.81 -1.97 -0.30 114.58 120.00 3i6s h GLU 386 Ca 0.11 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3i6s h GLU 386 Cb 0.34 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3i6s h GLU 386 CO 0.01 -0.05 -0.28 -0.07 -0.73 0.00 0.00 179.01 177.88 3i6s h LEU 387 N -0.08 -0.79 -1.62 1.64 3.38 -1.97 -1.85 115.31 114.03 3i6s h LEU 387 Ca 0.02 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3i6s h LEU 387 Cb 0.10 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3i6s h LEU 387 CO -0.04 -0.39 0.41 -0.07 0.09 0.00 0.00 178.44 178.44 3i6s h LEU 388 N -0.54 0.39 0.00 1.67 -0.00 -1.30 0.25 115.31 115.78 3i6s h LEU 388 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3i6s h LEU 388 Cb 0.53 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 3i6s h LEU 388 CO -0.12 0.23 0.00 -1.54 -0.00 0.00 0.00 178.44 177.02 3i6s n SER 389 N -4.47 0.00 -0.28 -0.43 3.41 -0.13 -2.16 113.62 109.56 3i6s n SER 389 Ca 0.10 -0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 3i6s n SER 389 Cb 0.37 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3i6s n SER 389 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6s n GLN 390 N -1.09 0.69 -2.72 4.33 6.02 0.86 -4.85 117.38 120.61 3i6s n GLN 390 Ca 0.09 -0.55 -0.43 0.00 -0.01 0.00 0.00 57.00 56.10 3i6s n GLN 390 Cb 0.07 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 3i6s n GLN 390 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i6s s VAL 391 N -2.69 4.62 0.73 5.09 0.11 -0.92 -5.02 120.40 122.32 3i6s s VAL 391 Ca 0.15 1.67 -0.14 0.00 -2.93 0.00 0.00 61.98 60.73 3i6s s VAL 391 Cb 0.17 -4.32 0.04 0.00 -1.53 0.00 0.00 36.38 30.74 3i6s s VAL 391 CO 0.68 -0.35 1.14 -1.61 -3.33 0.00 0.00 175.10 171.63 3i6s s GLU 392 N 3.38 2.29 -1.47 1.54 2.02 -1.26 -3.45 118.70 121.74 3i6s s GLU 392 Ca 0.42 1.47 -0.03 0.00 0.02 0.00 0.00 54.97 56.85 3i6s s GLU 392 Cb -0.13 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.24 3i6s s GLU 392 CO 0.12 -1.66 0.41 0.09 0.02 0.00 0.00 175.26 174.24 3i6s n ASN 393 N -2.93 -0.54 0.10 -0.19 3.02 -1.26 -4.80 115.26 108.66 3i6s n ASN 393 Ca 0.11 -1.05 0.18 0.00 -0.03 0.00 0.00 54.58 53.79 3i6s n ASN 393 Cb 0.52 -2.78 0.74 0.00 -0.61 0.00 0.00 39.78 37.64 3i6s n ASN 393 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3i6s h PRO 394 N -1.78 0.00 0.00 3.52 0.13 -1.88 -1.68 132.00 130.31 3i6s h PRO 394 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3i6s h PRO 394 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3i6s h PRO 394 CO 0.66 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.82 3i6s n GLU 395 N -4.12 0.24 -0.03 0.86 1.02 -1.25 -1.59 120.64 115.75 3i6s n GLU 395 Ca 0.06 0.26 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 3i6s n GLU 395 Cb 0.47 -1.81 0.03 0.00 -0.02 0.00 0.00 31.44 30.11 3i6s n GLU 395 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3i6s n ASN 396 N -2.23 2.18 -4.33 1.62 4.05 -0.65 -3.95 115.26 111.95 3i6s n ASN 396 Ca 0.05 -2.08 -0.29 0.00 0.45 0.00 0.00 54.58 52.70 3i6s n ASN 396 Cb 0.38 -0.07 -0.15 0.00 1.23 0.00 0.00 39.78 41.17 3i6s n ASN 396 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 3i6s s THR 397 N -1.15 2.06 -0.20 -0.44 -1.32 -1.11 -4.00 115.64 109.48 3i6s s THR 397 Ca 0.06 -1.35 -0.08 0.00 -1.21 0.00 0.00 61.69 59.11 3i6s s THR 397 Cb 0.04 -1.76 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 3i6s s THR 397 CO 0.03 0.34 0.07 -0.63 -2.21 0.00 0.00 174.62 172.22 3i6s s ILE 398 N -0.80 4.71 -0.04 5.08 1.01 0.48 -2.66 121.20 128.98 3i6s s ILE 398 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.71 3i6s s ILE 398 Cb -0.10 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3i6s s ILE 398 CO 0.02 0.42 -0.03 0.54 0.00 0.00 0.00 174.94 175.90 3i6s s VAL 399 N 0.70 4.00 -0.11 2.92 0.11 -1.08 -0.49 120.40 126.44 3i6s s VAL 399 Ca 0.04 -0.50 -0.14 0.00 -2.93 0.00 0.00 61.98 58.44 3i6s s VAL 399 Cb -0.13 -2.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.96 3i6s s VAL 399 CO 0.02 0.50 0.33 -0.63 -3.33 0.00 0.00 175.10 171.99 3i6s s ILE 400 N -0.95 5.24 -0.21 7.04 1.01 -0.83 -1.31 121.20 131.19 3i6s s ILE 400 Ca 0.16 0.65 -0.04 0.00 0.00 0.00 0.00 60.65 61.41 3i6s s ILE 400 Cb -0.11 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3i6s s ILE 400 CO 0.05 0.44 -0.03 0.00 0.00 0.00 0.00 174.94 175.41 3i6s s ASP 402 N 1.31 4.45 -0.31 0.00 1.01 0.15 -1.56 116.67 121.72 3i6s s ASP 402 Ca 0.04 2.15 -0.29 0.00 0.71 0.00 0.00 52.55 55.16 3i6s s ASP 402 Cb -0.14 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 3i6s s ASP 402 CO -0.01 -2.08 1.49 -0.62 0.21 0.00 0.00 175.17 174.16 3i6s s ASP 403 N -2.45 6.39 -0.08 0.27 -1.08 -1.17 -4.68 116.67 113.87 3i6s s ASP 403 Ca 0.69 1.23 0.11 0.00 -0.52 0.00 0.00 52.55 54.06 3i6s s ASP 403 Cb -0.24 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 38.86 3i6s s ASP 403 CO 0.46 -1.31 1.06 -0.46 0.52 0.00 0.00 175.17 175.44 3i6s n ASN 404 N 8.53 1.74 0.00 -0.34 0.23 -1.26 -4.99 115.26 119.17 3i6s n ASN 404 Ca 0.17 -2.60 0.00 0.00 -0.53 0.00 0.00 54.58 51.62 3i6s n ASN 404 Cb 0.47 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 3i6s n ASN 404 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i6s n GLY 405 N -0.94 0.84 2.30 4.83 0.00 -1.26 -4.89 105.19 106.06 3i6s n GLY 405 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3i6s n GLY 405 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i6s n ASP 406 N 0.00 1.12 -0.02 1.61 2.03 -1.26 -4.98 116.55 115.05 3i6s n ASP 406 Ca 0.00 -2.87 -0.09 0.00 0.52 0.00 0.00 54.79 52.35 3i6s n ASP 406 Cb 0.00 -0.64 -0.04 0.00 -0.72 0.00 0.00 41.12 39.72 3i6s n ASP 406 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3i6s h PHE 407 N 4.26 -0.09 0.00 -0.67 3.57 -1.97 -2.57 116.94 119.47 3i6s h PHE 407 Ca 0.13 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3i6s h PHE 407 Cb 0.82 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3i6s h PHE 407 CO 0.46 -0.07 -0.02 0.66 -2.23 0.00 0.00 178.31 177.11 3i6s h SER 408 N -0.00 0.00 0.18 0.41 4.64 -1.99 0.15 113.55 116.94 3i6s h SER 408 Ca 0.08 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.12 3i6s h SER 408 Cb 0.12 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3i6s h SER 408 CO -0.16 0.02 -1.16 -0.78 -0.87 0.00 0.00 176.83 173.88 3i6s h ASP 409 N 0.00 0.80 -0.41 4.97 3.58 -1.87 -2.66 116.42 120.83 3i6s h ASP 409 Ca -0.00 -0.71 0.02 0.00 0.42 0.00 0.00 57.03 56.77 3i6s h ASP 409 Cb 0.07 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3i6s h ASP 409 CO 0.00 1.51 0.23 1.56 -2.88 0.00 0.00 179.24 179.66 3i6s h GLN 410 N 0.28 0.45 -0.55 0.28 4.20 -0.47 -0.90 115.11 118.40 3i6s h GLN 410 Ca -0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3i6s h GLN 410 Cb 1.82 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 3i6s h GLN 410 CO 0.22 0.30 0.31 1.98 -0.67 0.00 0.00 178.83 180.96 3i6s h MET 411 N 0.46 0.75 -0.16 1.46 4.05 -0.90 0.14 114.93 120.72 3i6s h MET 411 Ca 0.17 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 3i6s h MET 411 Cb 0.04 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 3i6s h MET 411 CO -0.10 0.54 -0.16 -0.09 0.23 0.00 0.00 176.91 177.34 3i6s h ARG 412 N 0.76 0.40 -0.78 0.39 2.43 -1.05 0.85 114.38 117.38 3i6s h ARG 412 Ca 0.20 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3i6s h ARG 412 Cb 0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3i6s h ARG 412 CO -0.03 0.76 0.33 0.82 -1.51 0.00 0.00 179.97 180.34 3i6s h ILE 413 N 0.04 1.25 -0.12 1.20 1.08 -0.74 -0.60 117.51 119.62 3i6s h ILE 413 Ca 0.03 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 3i6s h ILE 413 Cb 0.69 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 34.75 3i6s h ILE 413 CO 0.04 0.32 0.02 0.40 -0.69 0.00 0.00 178.15 178.24 3i6s h ILE 414 N 1.12 1.21 -0.67 -0.67 5.03 -0.66 -2.05 117.51 120.82 3i6s h ILE 414 Ca 0.26 -0.66 0.02 0.00 -0.12 0.00 0.00 64.86 64.37 3i6s h ILE 414 Cb 0.18 1.42 -0.04 0.00 -3.03 0.00 0.00 36.82 35.36 3i6s h ILE 414 CO -0.03 0.19 0.42 0.74 -0.68 0.00 0.00 178.15 178.80 3i6s h THR 415 N -0.02 1.10 -0.16 -0.27 2.02 -0.65 -1.72 112.91 113.22 3i6s h THR 415 Ca 0.04 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 3i6s h THR 415 Cb 0.28 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3i6s h THR 415 CO 0.00 0.15 -0.18 -0.09 0.37 0.00 0.00 175.52 175.77 3i6s h ARG 416 N 0.83 0.26 -0.00 6.66 2.43 -1.04 -2.70 114.38 120.81 3i6s h ARG 416 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3i6s h ARG 416 Cb -0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3i6s h ARG 416 CO -0.10 0.44 -0.22 0.00 -1.51 0.00 0.00 179.97 178.59 3i6s n ALA 417 N -2.48 2.89 -3.29 2.80 0.00 -0.76 -4.96 120.51 114.70 3i6s n ALA 417 Ca -0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 3i6s n ALA 417 Cb 0.31 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.52 3i6s n ALA 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i6s n ARG 418 N -1.45 -5.95 -2.40 0.00 1.74 -0.72 -4.89 116.66 102.99 3i6s n ARG 418 Ca 0.07 0.65 -0.34 0.00 -0.77 0.00 0.00 57.85 57.47 3i6s n ARG 418 Cb 0.33 -5.14 -0.02 0.00 -1.02 0.00 0.00 32.46 26.61 3i6s n ARG 418 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i6s s LEU 419 N -5.79 3.75 0.17 0.55 1.43 -1.24 -3.87 118.68 113.69 3i6s s LEU 419 Ca 0.33 1.92 -0.21 0.00 -1.03 0.00 0.00 54.13 55.14 3i6s s LEU 419 Cb -0.15 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.60 3i6s s LEU 419 CO 0.57 -0.91 1.61 0.50 0.23 0.00 0.00 176.35 178.35 3i6s h LYS 420 N 1.26 -0.20 -2.72 1.70 1.63 -1.07 -3.46 116.57 113.71 3i6s h LYS 420 Ca -0.49 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.41 3i6s h LYS 420 Cb 1.22 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 3i6s h LYS 420 CO 0.58 -0.13 0.41 0.00 -3.45 0.00 0.00 179.45 176.87 3i6s s ALA 421 N -6.05 -1.26 -0.00 5.00 0.00 -1.24 -4.49 121.76 113.72 3i6s s ALA 421 Ca -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 3i6s s ALA 421 Cb 0.14 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 3i6s s ALA 421 CO 0.69 -1.03 0.03 0.00 0.00 0.00 0.00 175.76 175.44 3i6s s ALA 422 N -2.63 -0.05 -0.34 0.00 0.00 -1.13 -2.63 121.76 114.98 3i6s s ALA 422 Ca 0.17 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 3i6s s ALA 422 Cb -0.04 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3i6s s ALA 422 CO 0.07 -0.09 0.20 0.42 0.00 0.00 0.00 175.76 176.36 3i6s s ILE 423 N -0.64 4.80 -0.19 0.00 1.01 -0.43 -1.63 121.20 124.12 3i6s s ILE 423 Ca -0.07 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 3i6s s ILE 423 Cb -0.04 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 3i6s s ILE 423 CO -0.00 -0.07 0.23 -0.36 0.00 0.00 0.00 174.94 174.74 3i6s s PHE 424 N 1.63 3.41 -0.32 3.97 0.08 0.13 -0.41 117.98 126.47 3i6s s PHE 424 Ca 0.04 0.45 -0.17 0.00 0.12 0.00 0.00 56.93 57.37 3i6s s PHE 424 Cb -0.18 -2.29 -0.01 0.00 -0.57 0.00 0.00 43.02 39.97 3i6s s PHE 424 CO 0.08 0.20 0.49 0.42 -0.10 0.00 0.00 175.22 176.31 3i6s s ILE 425 N 0.61 5.06 -0.26 0.64 1.01 -0.60 0.32 121.20 127.97 3i6s s ILE 425 Ca 0.13 0.49 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 3i6s s ILE 425 Cb -0.13 -3.89 0.13 0.00 0.01 0.00 0.00 42.46 38.59 3i6s s ILE 425 CO 0.02 -0.09 1.08 -0.55 0.00 0.00 0.00 174.94 175.40 3i6s s SER 426 N 1.69 -0.38 -0.00 3.58 0.15 0.05 -3.06 113.70 115.73 3i6s s SER 426 Ca 0.18 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.52 3i6s s SER 426 Cb -0.16 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 3i6s s SER 426 CO 0.12 -0.16 0.83 -0.62 1.20 0.00 0.00 173.24 174.61 3i6s n GLU 427 N 1.86 1.97 -1.71 5.44 1.02 -1.26 -4.21 120.64 123.74 3i6s n GLU 427 Ca -0.12 -1.17 -0.42 0.00 -0.02 0.00 0.00 57.16 55.43 3i6s n GLU 427 Cb 0.56 -0.83 -0.03 0.00 -0.02 0.00 0.00 31.44 31.12 3i6s n GLU 427 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3i6s s ASP 428 N -0.68 6.45 0.62 1.62 2.15 -1.26 -4.87 116.67 120.70 3i6s s ASP 428 Ca 0.00 2.60 0.32 0.00 0.43 0.00 0.00 52.55 55.90 3i6s s ASP 428 Cb 0.00 -2.53 1.82 0.00 -0.30 0.00 0.00 42.92 41.91 3i6s s ASP 428 CO 0.00 -1.07 2.13 1.55 -0.17 0.00 0.00 175.17 177.61 3i6s h PRO 429 N 10.60 0.00 -0.66 4.34 0.13 -1.96 -0.83 132.00 143.61 3i6s h PRO 429 Ca -0.48 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 3i6s h PRO 429 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 3i6s h PRO 429 CO 0.94 0.00 0.44 0.78 -0.23 0.00 0.00 178.00 179.93 3i6s h GLY 430 N 0.00 0.87 1.50 1.56 0.00 -2.01 -2.40 103.07 102.59 3i6s h GLY 430 Ca 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3i6s h GLY 430 CO -0.00 0.23 0.23 -2.08 0.00 0.00 0.00 176.54 174.92 3i6s h VAL 431 N 0.72 1.16 -0.44 4.60 2.07 -1.53 -3.04 116.25 119.79 3i6s h VAL 431 Ca 0.28 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3i6s h VAL 431 Cb 0.18 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3i6s h VAL 431 CO -0.08 0.18 0.00 0.49 0.02 0.00 0.00 177.57 178.18 3i6s n PHE 432 N -4.39 0.77 0.13 1.57 3.72 -0.90 -3.42 117.46 114.93 3i6s n PHE 432 Ca 0.04 -0.34 0.01 0.00 -0.05 0.00 0.00 57.45 57.11 3i6s n PHE 432 Cb 0.12 -0.08 -0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3i6s n PHE 432 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i6s n ARG 433 N 0.74 2.75 -4.28 -1.08 1.74 -1.15 -4.84 116.66 110.54 3i6s n ARG 433 Ca 0.16 -0.34 -0.32 0.00 -0.77 0.00 0.00 57.85 56.57 3i6s n ARG 433 Cb 0.49 -0.84 -0.09 0.00 -1.02 0.00 0.00 32.46 31.00 3i6s n ARG 433 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i6s s SER 434 N -0.75 5.08 0.00 0.55 0.15 -1.22 -4.52 113.70 112.98 3i6s s SER 434 Ca 0.02 -0.03 0.20 0.00 0.70 0.00 0.00 55.95 56.83 3i6s s SER 434 Cb 0.02 -1.31 0.47 0.00 -1.71 0.00 0.00 66.02 63.49 3i6s s SER 434 CO 0.07 0.27 1.39 0.00 1.20 0.00 0.00 173.24 176.18 3i6s n ALA 435 N 1.31 2.35 -2.58 5.45 0.00 -1.26 -4.91 120.51 120.88 3i6s n ALA 435 Ca -0.14 -1.13 -0.42 0.00 0.00 0.00 0.00 53.44 51.76 3i6s n ALA 435 Cb 0.53 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 3i6s n ALA 435 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i6s s THR 436 N -1.15 3.88 -0.42 0.00 2.01 -1.26 -4.86 115.64 113.84 3i6s s THR 436 Ca 0.38 0.54 0.08 0.00 0.31 0.00 0.00 61.69 63.01 3i6s s THR 436 Cb 0.21 -4.82 0.28 0.00 0.01 0.00 0.00 72.50 68.18 3i6s s THR 436 CO 0.28 -1.63 0.74 0.33 -0.69 0.00 0.00 174.62 173.65 3i6s n PHE 437 N 8.89 -1.26 0.91 4.92 -0.00 -1.26 -5.00 117.46 124.66 3i6s n PHE 437 Ca 0.05 -3.02 0.09 0.00 -0.00 0.00 0.00 57.45 54.57 3i6s n PHE 437 Cb 0.49 0.34 0.48 0.00 -0.00 0.00 0.00 39.48 40.79 3i6s n PHE 437 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3i6s n PRO 438 N 1.03 0.28 -3.98 -7.13 -0.04 -1.24 -3.99 135.00 119.93 3i6s n PRO 438 Ca 0.17 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3i6s n PRO 438 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 3i6s n PRO 438 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3i6s s ASN 439 N -2.55 0.26 0.32 3.54 2.47 -1.26 -0.40 114.94 117.32 3i6s s ASN 439 Ca 0.18 -0.04 -0.28 0.00 0.42 0.00 0.00 52.86 53.15 3i6s s ASN 439 Cb 0.13 -0.04 -0.13 0.00 -1.45 0.00 0.00 41.25 39.76 3i6s s ASN 439 CO 0.29 0.02 1.09 -2.65 -3.72 0.00 0.00 177.10 172.13 3i6s n PRO 440 N 3.11 1.59 0.00 0.43 -0.02 -1.26 -4.84 135.00 134.01 3i6s n PRO 440 Ca -0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3i6s n PRO 440 Cb 0.59 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3i6s n PRO 440 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6s n GLY 441 N 1.08 1.16 3.16 -1.23 0.00 -1.26 -2.85 105.19 105.25 3i6s n GLY 441 Ca 0.08 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 3i6s n GLY 441 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 442 N -2.00 1.01 -0.15 1.61 1.01 -0.65 -4.68 120.40 116.56 3i6s s VAL 442 Ca 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 3i6s s VAL 442 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3i6s s VAL 442 CO 0.00 -0.36 -0.08 -0.69 0.00 0.00 0.00 175.10 173.97 3i6s s VAL 443 N -1.69 3.45 0.18 2.92 1.01 0.05 0.21 120.40 126.53 3i6s s VAL 443 Ca 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.56 3i6s s VAL 443 Cb -0.08 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3i6s s VAL 443 CO 0.02 0.50 -0.20 0.68 0.00 0.00 0.00 175.10 176.10 3i6s s VAL 444 N 0.44 2.01 1.14 2.92 -7.23 0.15 -1.21 120.40 118.61 3i6s s VAL 444 Ca -0.07 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 57.92 3i6s s VAL 444 Cb -0.15 -1.96 0.27 0.00 0.56 0.00 0.00 36.38 35.10 3i6s s VAL 444 CO 0.04 -0.27 1.22 0.54 -0.31 0.00 0.00 175.10 176.31 3i6s s ASN 445 N -2.74 1.54 0.12 4.85 2.20 -1.26 -0.77 114.94 118.88 3i6s s ASN 445 Ca 0.18 0.37 -0.16 0.00 -0.94 0.00 0.00 52.86 52.31 3i6s s ASN 445 Cb -0.06 -0.43 -0.03 0.00 -2.00 0.00 0.00 41.25 38.73 3i6s s ASN 445 CO 0.08 -3.71 1.61 0.11 -2.94 0.00 0.00 177.10 172.25 3i6s h LYS 446 N -2.31 0.59 0.98 3.55 1.79 -1.95 -0.00 116.57 119.21 3i6s h LYS 446 Ca -0.43 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 57.84 3i6s h LYS 446 Cb 1.25 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3i6s h LYS 446 CO 0.30 0.64 -0.47 -0.22 -1.08 0.00 0.00 179.45 178.62 3i6s h LYS 447 N 0.44 -1.27 -0.96 3.15 3.64 -2.00 -2.28 116.57 117.29 3i6s h LYS 447 Ca 0.11 0.09 0.23 0.00 -1.27 0.00 0.00 60.65 59.81 3i6s h LYS 447 Cb 0.32 0.29 -0.12 0.00 -0.41 0.00 0.00 32.23 32.31 3i6s h LYS 447 CO 0.00 -0.85 0.52 0.93 -2.27 0.00 0.00 179.45 177.78 3i6s h GLU 448 N -1.33 0.52 0.00 1.90 5.08 -1.94 0.44 114.58 119.25 3i6s h GLU 448 Ca -0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3i6s h GLU 448 Cb 1.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3i6s h GLU 448 CO 0.22 0.34 -0.01 0.78 -1.00 0.00 0.00 179.01 179.34 3i6s h GLY 449 N 0.53 0.00 0.67 -3.84 0.00 -0.67 -1.33 103.07 98.43 3i6s h GLY 449 Ca 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.82 3i6s h GLY 449 CO -0.48 0.00 -0.42 0.50 0.00 0.00 0.00 176.54 176.14 3i6s h LYS 450 N 0.00 0.33 -0.42 4.80 1.57 0.43 -2.64 116.57 120.63 3i6s h LYS 450 Ca -0.00 -0.32 0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3i6s h LYS 450 Cb 0.02 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3i6s h LYS 450 CO 0.00 1.00 -0.09 1.96 -0.57 0.00 0.00 179.45 181.75 3i6s h GLN 451 N -0.22 0.02 0.51 3.15 4.20 -0.88 0.13 115.11 122.01 3i6s h GLN 451 Ca -0.05 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3i6s h GLN 451 Cb 1.13 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3i6s h GLN 451 CO 0.08 0.01 -0.26 0.28 -0.67 0.00 0.00 178.83 178.28 3i6s h VAL 452 N 0.02 0.47 -0.99 -0.54 2.07 -1.33 -1.24 116.25 114.72 3i6s h VAL 452 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 3i6s h VAL 452 Cb 0.31 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 3i6s h VAL 452 CO -0.42 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.19 3i6s h ILE 453 N -0.71 1.01 0.35 4.57 2.04 -1.24 -1.52 117.51 122.01 3i6s h ILE 453 Ca -0.07 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3i6s h ILE 453 Cb 0.55 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3i6s h ILE 453 CO 0.10 0.20 -0.32 -1.13 0.00 0.00 0.00 178.15 177.00 3i6s h ASN 454 N 1.07 -0.86 -0.99 1.72 -1.24 -0.67 -0.61 115.58 114.00 3i6s h ASN 454 Ca 0.45 0.07 0.31 0.00 0.71 0.00 0.00 56.30 57.84 3i6s h ASN 454 Cb 0.31 0.28 -0.18 0.00 0.73 0.00 0.00 38.32 39.46 3i6s h ASN 454 CO -0.22 -0.43 0.19 0.22 -1.29 0.00 0.00 177.43 175.90 3i6s h TYR 455 N -0.66 0.23 -0.22 0.67 3.20 -0.71 0.29 116.97 119.76 3i6s h TYR 455 Ca -0.04 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3i6s h TYR 455 Cb 0.56 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3i6s h TYR 455 CO -0.16 -0.44 -0.06 0.28 -1.64 0.00 0.00 178.16 176.14 3i6s h VAL 456 N 0.02 1.29 -0.15 1.81 2.07 -0.71 -3.15 116.25 117.42 3i6s h VAL 456 Ca 0.67 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3i6s h VAL 456 Cb 1.53 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3i6s h VAL 456 CO -0.87 0.33 -0.29 0.11 0.02 0.00 0.00 177.57 176.87 3i6s h LYS 457 N 0.17 0.29 -0.89 1.57 1.57 0.58 -2.87 116.57 116.99 3i6s h LYS 457 Ca 0.06 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 3i6s h LYS 457 Cb 0.53 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 3i6s h LYS 457 CO 0.02 0.57 0.20 0.09 -0.57 0.00 0.00 179.45 179.75 3i6s n ASN 458 N -4.12 3.52 -3.76 0.86 3.02 -0.52 -4.87 115.26 109.40 3i6s n ASN 458 Ca -0.01 -2.72 -0.13 0.00 -0.03 0.00 0.00 54.58 51.69 3i6s n ASN 458 Cb 0.40 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 3i6s n ASN 458 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i6s s SER 459 N -0.34 -0.33 -0.19 6.41 0.01 -1.08 -5.02 113.70 113.15 3i6s s SER 459 Ca 0.31 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 58.06 3i6s s SER 459 Cb 0.25 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 67.07 3i6s s SER 459 CO 0.07 -0.17 0.16 0.68 0.41 0.00 0.00 173.24 174.39 3i6s s VAL 460 N -0.06 5.39 -0.05 3.43 -7.23 -1.26 -4.44 120.40 116.18 3i6s s VAL 460 Ca -0.02 0.26 -0.00 0.00 -1.81 0.00 0.00 61.98 60.40 3i6s s VAL 460 Cb -0.03 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.41 3i6s s VAL 460 CO 0.01 0.43 0.04 0.41 -0.31 0.00 0.00 175.10 175.68 3i6s n THR 461 N 3.55 -0.13 -2.29 5.32 -1.04 -1.26 -5.02 114.28 113.41 3i6s n THR 461 Ca -0.15 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.44 3i6s n THR 461 Cb 0.52 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.25 3i6s n THR 461 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3i6s s PRO 462 N -4.90 4.44 0.14 -2.82 0.04 -1.26 -4.99 135.00 125.66 3i6s s PRO 462 Ca 0.02 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.05 3i6s s PRO 462 Cb -0.01 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 3i6s s PRO 462 CO 0.03 -0.16 -0.05 0.95 0.04 0.00 0.00 177.00 177.81 3i6s s THR 463 N -0.08 0.82 0.03 1.26 -4.23 -1.26 -1.14 115.64 111.04 3i6s s THR 463 Ca 0.54 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.00 3i6s s THR 463 Cb -0.35 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 3i6s s THR 463 CO 0.38 -0.67 0.11 0.00 -0.54 0.00 0.00 174.62 173.91 3i6s s ALA 464 N -3.55 -0.16 -0.04 3.99 0.00 0.28 0.08 121.76 122.36 3i6s s ALA 464 Ca 0.18 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.75 3i6s s ALA 464 Cb 0.05 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3i6s s ALA 464 CO 0.00 -0.29 -0.13 0.99 0.00 0.00 0.00 175.76 176.34 3i6s s THR 465 N -2.28 1.09 -0.05 0.00 2.01 0.11 -1.53 115.64 114.99 3i6s s THR 465 Ca -0.08 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3i6s s THR 465 Cb -0.03 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.52 3i6s s THR 465 CO -0.03 0.33 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.47 3i6s s ILE 466 N 0.25 1.13 0.24 1.82 1.01 -0.55 -0.52 121.20 124.58 3i6s s ILE 466 Ca -0.06 -0.52 0.10 0.00 0.00 0.00 0.00 60.65 60.17 3i6s s ILE 466 Cb -0.11 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 3i6s s ILE 466 CO 0.02 0.34 -0.07 0.42 0.00 0.00 0.00 174.94 175.65 3i6s s THR 467 N 0.35 3.19 0.43 2.92 -4.23 -1.01 -4.03 115.64 113.26 3i6s s THR 467 Ca -0.08 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 3i6s s THR 467 Cb -0.13 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 3i6s s THR 467 CO 0.02 -0.28 0.10 0.49 -0.54 0.00 0.00 174.62 174.42 3i6s n PHE 468 N -0.49 0.44 -2.61 3.99 3.01 -1.26 -2.64 117.46 117.91 3i6s n PHE 468 Ca -0.08 -2.54 -0.21 0.00 1.01 0.00 0.00 57.45 55.63 3i6s n PHE 468 Cb 0.58 -0.10 0.01 0.00 -0.01 0.00 0.00 39.48 39.95 3i6s n PHE 468 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3i6s n GLN 469 N -1.01 -2.76 -3.95 -1.08 6.02 -1.25 -4.97 117.38 108.38 3i6s n GLN 469 Ca -0.10 0.96 -0.36 0.00 -0.01 0.00 0.00 57.00 57.49 3i6s n GLN 469 Cb 0.61 -5.67 -0.06 0.00 1.02 0.00 0.00 30.24 26.14 3i6s n GLN 469 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3i6s s GLU 470 N -5.26 3.37 -0.03 -1.09 2.02 -1.20 -4.70 118.70 111.81 3i6s s GLU 470 Ca 0.10 -0.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.87 3i6s s GLU 470 Cb -0.05 -3.11 0.03 0.00 0.10 0.00 0.00 34.13 31.10 3i6s s GLU 470 CO 0.13 0.74 0.02 -0.08 0.02 0.00 0.00 175.26 176.09 3i6s s THR 471 N -1.09 0.08 0.10 3.63 -1.32 -1.26 -0.64 115.64 115.13 3i6s s THR 471 Ca 0.18 0.19 0.09 0.00 -1.21 0.00 0.00 61.69 60.95 3i6s s THR 471 Cb -0.12 -0.23 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 3i6s s THR 471 CO 0.08 0.15 -0.22 -0.31 -2.21 0.00 0.00 174.62 172.11 3i6s s TYR 472 N 1.38 2.45 -0.65 9.09 1.51 0.11 -4.96 117.35 126.28 3i6s s TYR 472 Ca -0.05 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3i6s s TYR 472 Cb -0.13 -1.35 0.16 0.00 -0.11 0.00 0.00 41.96 40.53 3i6s s TYR 472 CO -0.03 0.31 0.45 -0.51 -1.11 0.00 0.00 175.55 174.66 3i6s s LEU 473 N -1.86 4.92 0.00 -1.29 1.43 -1.26 -0.65 118.68 119.97 3i6s s LEU 473 Ca 0.15 -3.22 0.00 0.00 -1.03 0.00 0.00 54.13 50.03 3i6s s LEU 473 Cb -0.10 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3i6s s LEU 473 CO 0.07 -0.25 0.00 0.41 0.23 0.00 0.00 176.35 176.81 3i6s n THR 475 N 2.91 0.00 -4.40 5.49 -1.04 -0.96 -4.86 114.28 111.43 3i6s n THR 475 Ca 0.11 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.91 3i6s n THR 475 Cb 0.35 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.70 3i6s n THR 475 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i6s s LYS 476 N -5.60 1.12 0.37 -2.82 1.02 -1.26 -4.25 119.74 108.32 3i6s s LYS 476 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 3i6s s LYS 476 Cb 0.00 -1.02 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 3i6s s LYS 476 CO 0.00 0.06 0.60 -1.25 -0.92 0.00 0.00 175.35 173.84 3i6s s PRO 477 N 0.45 3.51 -0.21 -1.68 0.04 -1.26 -5.21 135.00 130.63 3i6s s PRO 477 Ca -0.08 -0.18 -0.24 0.00 0.04 0.00 0.00 61.00 60.54 3i6s s PRO 477 Cb -0.12 -2.60 0.07 0.00 0.04 0.00 0.00 34.50 31.89 3i6s s PRO 477 CO 0.01 0.08 0.67 0.00 0.04 0.00 0.00 177.00 177.80 3i6s s ALA 478 N -2.38 -1.66 1.05 8.56 0.00 -1.26 -4.66 121.76 121.41 3i6s s ALA 478 Ca 0.42 1.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.98 3i6s s ALA 478 Cb -0.10 -0.90 0.23 0.00 0.00 0.00 0.00 23.12 22.36 3i6s s ALA 478 CO 0.37 -0.33 1.24 -0.35 0.00 0.00 0.00 175.76 176.69 3i6s n PRO 479 N 2.39 -1.65 -3.83 0.00 -0.04 -1.26 -4.58 135.00 126.02 3i6s n PRO 479 Ca -0.15 -1.92 -0.12 0.00 -0.04 0.00 0.00 63.50 61.27 3i6s n PRO 479 Cb 0.56 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 3i6s n PRO 479 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i6s s VAL 480 N -3.61 0.01 -0.09 0.52 1.01 -1.23 -4.46 120.40 112.56 3i6s s VAL 480 Ca 0.72 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 3i6s s VAL 480 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3i6s s VAL 480 CO 0.51 -0.06 1.30 -0.69 0.00 0.00 0.00 175.10 176.16 3i6s s VAL 481 N -0.16 4.10 0.31 2.92 1.01 -0.43 -0.31 120.40 127.85 3i6s s VAL 481 Ca -0.02 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.06 3i6s s VAL 481 Cb -0.02 -3.90 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 3i6s s VAL 481 CO 0.00 -0.06 1.49 0.00 0.00 0.00 0.00 175.10 176.54 3i6s n ALA 482 N 5.93 2.07 0.15 5.51 0.00 -0.49 -1.15 120.51 132.52 3i6s n ALA 482 Ca 0.13 0.37 0.16 0.00 0.00 0.00 0.00 53.44 54.10 3i6s n ALA 482 Cb 0.45 -2.39 0.74 0.00 0.00 0.00 0.00 19.45 18.25 3i6s n ALA 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6s h ALA 483 N 3.92 2.10 -0.01 0.00 0.00 -1.90 -2.06 119.26 121.30 3i6s h ALA 483 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i6s h ALA 483 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i6s h ALA 483 CO 0.73 -0.36 -0.56 -1.13 0.00 0.00 0.00 179.25 177.93 3i6s n SER 484 N -4.17 1.77 -4.66 0.00 3.41 -1.26 -2.44 113.62 106.27 3i6s n SER 484 Ca 0.03 -1.37 -0.44 0.00 -0.26 0.00 0.00 58.87 56.83 3i6s n SER 484 Cb 0.37 0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 64.84 3i6s n SER 484 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i6s n SER 485 N -0.34 3.86 -4.66 4.04 2.88 -0.77 -0.25 113.62 118.38 3i6s n SER 485 Ca 0.08 0.84 -0.36 0.00 -1.33 0.00 0.00 58.87 58.10 3i6s n SER 485 Cb 0.44 -1.48 0.08 0.00 -0.75 0.00 0.00 64.21 62.49 3i6s n SER 485 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i6s n ALA 486 N 7.76 0.38 -2.43 -1.46 0.00 -0.27 -4.12 120.51 120.37 3i6s n ALA 486 Ca 0.22 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3i6s n ALA 486 Cb 0.38 -2.20 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 3i6s n ALA 486 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i6s s ARG 487 N -3.29 1.95 0.98 0.00 1.81 -1.26 -4.66 118.95 114.47 3i6s s ARG 487 Ca 0.78 -1.04 -0.16 0.00 -1.72 0.00 0.00 55.73 53.58 3i6s s ARG 487 Cb -0.37 -2.12 0.24 0.00 -0.45 0.00 0.00 34.95 32.26 3i6s s ARG 487 CO 0.46 0.53 0.88 0.41 -0.68 0.00 0.00 175.30 176.89 3i6s n GLY 488 N 1.54 -2.67 3.85 -3.53 0.00 -0.31 -0.35 105.19 103.73 3i6s n GLY 488 Ca -0.16 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 3i6s n GLY 488 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i6s s PRO 489 N -4.99 1.74 -0.18 1.61 0.04 -1.26 -0.90 135.00 131.05 3i6s s PRO 489 Ca 0.57 0.23 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 3i6s s PRO 489 Cb -0.05 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3i6s s PRO 489 CO 0.43 -1.77 1.36 0.45 0.04 0.00 0.00 177.00 177.51 3i6s s SER 490 N -4.33 6.80 0.00 6.66 0.15 -1.26 -4.10 113.70 117.61 3i6s s SER 490 Ca 0.62 1.67 0.14 0.00 0.70 0.00 0.00 55.95 59.09 3i6s s SER 490 Cb -0.13 -2.54 0.83 0.00 -1.71 0.00 0.00 66.02 62.48 3i6s s SER 490 CO 0.51 -0.89 1.48 0.54 1.20 0.00 0.00 173.24 176.08 3i6s n ARG 491 N 6.91 0.93 -0.00 5.44 1.74 -1.26 -1.61 116.66 128.80 3i6s n ARG 491 Ca 0.15 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 3i6s n ARG 491 Cb 0.45 -1.24 -0.14 0.00 -1.02 0.00 0.00 32.46 30.51 3i6s n ARG 491 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3i6s h SER 492 N 0.00 0.16 -0.56 0.55 0.02 -1.89 -0.52 113.55 111.31 3i6s h SER 492 Ca 0.00 -0.33 0.12 0.00 -0.84 0.00 0.00 61.79 60.74 3i6s h SER 492 Cb 0.00 -0.05 -0.19 0.00 0.14 0.00 0.00 62.40 62.29 3i6s h SER 492 CO 0.00 1.30 -0.18 -0.47 -1.14 0.00 0.00 176.83 176.33 3i6s s TYR 493 N -2.59 -1.04 0.46 3.45 5.04 -0.64 -4.73 117.35 117.30 3i6s s TYR 493 Ca -0.10 0.54 0.12 0.00 -2.44 0.00 0.00 57.07 55.19 3i6s s TYR 493 Cb 0.08 0.18 1.05 0.00 0.35 0.00 0.00 41.96 43.61 3i6s s TYR 493 CO 0.81 -0.62 2.09 -0.07 -1.34 0.00 0.00 175.55 176.42 3i6s h LEU 494 N 7.33 0.21 -1.17 6.97 3.38 -1.66 -3.26 115.31 127.12 3i6s h LEU 494 Ca -0.05 -0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.20 3i6s h LEU 494 Cb 1.19 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 3i6s h LEU 494 CO 0.01 0.18 0.64 1.23 0.09 0.00 0.00 178.44 180.59 3i6s h GLY 495 N 0.31 1.64 -5.86 0.83 0.00 -1.96 -3.40 103.07 94.64 3i6s h GLY 495 Ca 0.07 -0.24 -0.67 0.00 0.00 0.00 0.00 47.33 46.49 3i6s h GLY 495 CO -0.01 -0.27 -0.81 -0.42 0.00 0.00 0.00 176.54 175.04 3i6s s ILE 496 N -5.61 2.64 0.25 2.60 1.01 -1.23 -4.69 121.20 116.17 3i6s s ILE 496 Ca -0.10 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.46 3i6s s ILE 496 Cb 0.27 -2.11 -0.13 0.00 0.01 0.00 0.00 42.46 40.50 3i6s s ILE 496 CO 0.80 0.52 1.35 -0.24 0.00 0.00 0.00 174.94 177.37 3i6s n SER 497 N 4.00 2.58 -3.81 3.58 2.88 -1.26 -4.63 113.62 116.96 3i6s n SER 497 Ca -0.19 1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.38 3i6s n SER 497 Cb 0.52 -1.41 -0.10 0.00 -0.75 0.00 0.00 64.21 62.47 3i6s n SER 497 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3i6s s LYS 498 N -0.70 0.53 1.02 -1.46 -0.14 -1.26 -4.62 119.74 113.11 3i6s s LYS 498 Ca 0.66 -0.21 -0.17 0.00 -1.36 0.00 0.00 55.97 54.89 3i6s s LYS 498 Cb -0.65 0.23 0.22 0.00 -1.68 0.00 0.00 37.83 35.94 3i6s s LYS 498 CO 0.52 -0.13 1.25 -1.25 -0.76 0.00 0.00 175.35 174.98 3i6s s PRO 499 N -1.16 0.21 -0.12 -1.68 0.04 -1.25 -3.08 135.00 127.96 3i6s s PRO 499 Ca -0.12 -0.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.54 3i6s s PRO 499 Cb -0.06 -1.78 -0.26 0.00 0.04 0.00 0.00 34.50 32.44 3i6s s PRO 499 CO 0.03 -2.73 0.42 -0.44 0.04 0.00 0.00 177.00 174.32 3i6s h ASP 500 N -1.87 0.36 -5.04 6.66 5.19 -1.16 -3.08 116.42 117.48 3i6s h ASP 500 Ca -0.45 -0.85 -0.06 0.00 -0.62 0.00 0.00 57.03 55.05 3i6s h ASP 500 Cb 1.26 -0.12 -0.15 0.00 0.18 0.00 0.00 39.33 40.50 3i6s h ASP 500 CO 0.39 1.72 -0.04 -0.51 -3.12 0.00 0.00 179.24 177.69 3i6s s ILE 501 N -2.50 0.05 -0.06 0.35 2.07 -1.19 -0.40 121.20 119.51 3i6s s ILE 501 Ca -0.22 -0.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.60 3i6s s ILE 501 Cb 0.06 -1.02 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 3i6s s ILE 501 CO 0.75 -0.22 0.04 -0.22 -1.91 0.00 0.00 174.94 173.37 3i6s s LEU 502 N -2.24 3.75 0.12 8.50 0.20 0.11 -1.00 118.68 128.12 3i6s s LEU 502 Ca -0.03 0.16 -0.16 0.00 0.69 0.00 0.00 54.13 54.80 3i6s s LEU 502 Cb -0.00 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.81 3i6s s LEU 502 CO -0.05 0.34 0.40 0.00 -0.29 0.00 0.00 176.35 176.75 3i6s s ALA 503 N -1.00 -0.94 0.11 5.97 0.00 -0.83 -1.79 121.76 123.28 3i6s s ALA 503 Ca 0.17 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 3i6s s ALA 503 Cb -0.12 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.60 3i6s s ALA 503 CO 0.06 -0.64 1.59 -2.14 0.00 0.00 0.00 175.76 174.64 3i6s s PRO 504 N -3.79 4.21 0.00 0.00 0.02 -1.26 -0.60 135.00 133.59 3i6s s PRO 504 Ca 0.03 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3i6s s PRO 504 Cb 0.02 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3i6s s PRO 504 CO -0.12 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 3i6s n GLY 505 N 3.85 1.00 3.65 0.52 0.00 -0.64 -3.19 105.19 110.38 3i6s n GLY 505 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3i6s n GLY 505 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6s s VAL 506 N 0.00 5.13 -0.92 1.61 1.01 -1.14 -0.47 120.40 125.62 3i6s s VAL 506 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 3i6s s VAL 506 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3i6s s VAL 506 CO 0.00 0.17 0.67 0.18 0.00 0.00 0.00 175.10 176.12 3i6s n LEU 507 N 4.95 -2.75 -4.87 3.92 4.77 -1.16 -4.69 117.00 117.18 3i6s n LEU 507 Ca -0.06 -0.86 -0.37 0.00 -0.03 0.00 0.00 56.01 54.69 3i6s n LEU 507 Cb 0.50 -2.08 -0.06 0.00 -2.33 0.00 0.00 43.42 39.45 3i6s n LEU 507 CO 0.40 0.18 -0.07 -0.63 -1.33 0.00 0.00 177.39 175.94 3i6s s ILE 508 N -3.15 5.34 -0.19 -0.08 -1.09 0.21 -4.66 121.20 117.57 3i6s s ILE 508 Ca 0.16 0.41 -0.16 0.00 -2.23 0.00 0.00 60.65 58.82 3i6s s ILE 508 Cb -0.07 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 3i6s s ILE 508 CO 0.87 0.59 0.41 -0.22 -1.23 0.00 0.00 174.94 175.36 3i6s s LEU 509 N -1.10 4.17 0.23 2.97 2.96 -1.26 -0.95 118.68 125.69 3i6s s LEU 509 Ca 0.19 0.55 -0.14 0.00 -0.22 0.00 0.00 54.13 54.51 3i6s s LEU 509 Cb -0.14 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.02 3i6s s LEU 509 CO 0.08 -0.07 0.48 0.00 -1.32 0.00 0.00 176.35 175.52 3i6s s ALA 510 N 1.24 -0.41 0.91 5.97 0.00 -0.91 0.31 121.76 128.87 3i6s s ALA 510 Ca 0.20 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 3i6s s ALA 510 Cb -0.15 0.99 0.13 0.00 0.00 0.00 0.00 23.12 24.08 3i6s s ALA 510 CO 0.08 -0.83 1.04 0.00 0.00 0.00 0.00 175.76 176.05 3i6s n ALA 511 N -0.36 -1.02 -3.45 0.00 0.00 -1.26 -1.37 120.51 113.05 3i6s n ALA 511 Ca -0.04 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.69 3i6s n ALA 511 Cb 0.62 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 3i6s n ALA 511 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i6s s TYR 512 N -2.55 -0.54 0.21 0.00 5.04 0.59 -3.04 117.35 117.05 3i6s s TYR 512 Ca 0.66 1.00 -0.31 0.00 -2.44 0.00 0.00 57.07 55.98 3i6s s TYR 512 Cb -0.23 0.30 -0.10 0.00 0.35 0.00 0.00 41.96 42.27 3i6s s TYR 512 CO 0.59 -0.51 1.56 -2.14 -1.34 0.00 0.00 175.55 173.71 3i6s s PRO 513 N -0.96 4.20 0.09 4.97 0.02 -1.26 -4.49 135.00 137.56 3i6s s PRO 513 Ca -0.10 2.41 0.19 0.00 0.02 0.00 0.00 61.00 63.51 3i6s s PRO 513 Cb -0.02 -3.12 0.78 0.00 0.02 0.00 0.00 34.50 32.16 3i6s s PRO 513 CO 0.07 -0.58 1.58 -0.35 -0.33 0.00 0.00 177.00 177.39 3i6s n PRO 514 N 3.36 0.07 -0.80 5.54 -0.04 -1.25 -3.30 135.00 138.57 3i6s n PRO 514 Ca 0.12 0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.85 3i6s n PRO 514 Cb 0.38 -1.63 0.19 0.00 -0.04 0.00 0.00 33.50 32.41 3i6s n PRO 514 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3i6s n ASN 515 N -1.76 2.34 -4.17 3.54 6.94 -1.26 -4.43 115.26 116.46 3i6s n ASN 515 Ca 0.03 -3.85 -0.16 0.00 -0.02 0.00 0.00 54.58 50.58 3i6s n ASN 515 Cb 0.21 -0.58 -0.11 0.00 -2.36 0.00 0.00 39.78 36.94 3i6s n ASN 515 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3i6s s VAL 516 N -3.35 1.02 -0.11 3.53 -7.23 -1.21 -5.11 120.40 107.94 3i6s s VAL 516 Ca 0.42 -1.47 -0.39 0.00 -1.81 0.00 0.00 61.98 58.74 3i6s s VAL 516 Cb 0.39 -1.19 -0.16 0.00 0.56 0.00 0.00 36.38 35.97 3i6s s VAL 516 CO -0.03 -0.40 1.53 0.33 -0.31 0.00 0.00 175.10 176.23 3i6s n PHE 517 N 0.92 1.74 -0.02 2.82 7.35 -1.26 -4.54 117.46 124.47 3i6s n PHE 517 Ca -0.19 0.62 -0.04 0.00 -0.76 0.00 0.00 57.45 57.08 3i6s n PHE 517 Cb 0.56 -2.38 -0.01 0.00 0.35 0.00 0.00 39.48 37.99 3i6s n PHE 517 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i6s n ALA 518 N 3.90 1.82 -3.16 3.13 0.00 0.21 -4.99 120.51 121.43 3i6s n ALA 518 Ca 0.23 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 3i6s n ALA 518 Cb 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 3i6s n ALA 518 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i6s n THR 519 N -3.90 0.00 -3.98 0.00 5.66 -1.13 -5.00 114.28 105.92 3i6s n THR 519 Ca -0.07 -0.27 -0.11 0.00 -3.05 0.00 0.00 64.05 60.55 3i6s n THR 519 Cb 0.26 0.16 -0.12 0.00 -1.55 0.00 0.00 70.33 69.08 3i6s n THR 519 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3i6s s SER 520 N -1.32 0.32 -0.03 1.09 0.15 -1.26 -0.84 113.70 111.81 3i6s s SER 520 Ca 0.04 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.39 3i6s s SER 520 Cb -0.00 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 3i6s s SER 520 CO 0.03 -0.17 -0.13 -0.63 1.20 0.00 0.00 173.24 173.54 3i6s s ILE 521 N -0.94 1.10 0.00 6.45 1.01 0.32 -3.68 121.20 125.45 3i6s s ILE 521 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3i6s s ILE 521 Cb -0.07 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.45 3i6s s ILE 521 CO -0.00 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3i6s n GLY 522 N 3.22 0.18 0.04 6.18 0.00 0.47 -2.02 105.19 113.26 3i6s n GLY 522 Ca -0.18 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.09 3i6s n GLY 522 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i6s n THR 523 N -0.77 0.23 0.14 2.61 -2.24 -1.26 -4.48 114.28 108.51 3i6s n THR 523 Ca 0.00 -0.22 0.02 0.00 -2.27 0.00 0.00 64.05 61.57 3i6s n THR 523 Cb 0.00 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3i6s n THR 523 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i6s n ASN 524 N -1.97 0.66 -4.30 3.42 2.04 -1.25 -4.99 115.26 108.87 3i6s n ASN 524 Ca 0.03 -0.83 -0.35 0.00 -0.44 0.00 0.00 54.58 52.99 3i6s n ASN 524 Cb 0.42 0.54 -0.14 0.00 -2.53 0.00 0.00 39.78 38.08 3i6s n ASN 524 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3i6s s ILE 525 N -0.82 3.40 -0.00 1.53 1.01 -0.86 -5.04 121.20 120.42 3i6s s ILE 525 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3i6s s ILE 525 Cb 0.02 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3i6s s ILE 525 CO 0.08 0.34 0.15 -0.76 0.00 0.00 0.00 174.94 174.75 3i6s s LEU 526 N 1.46 4.20 0.22 2.97 1.43 -1.26 -0.52 118.68 127.18 3i6s s LEU 526 Ca 0.05 0.27 0.11 0.00 -1.03 0.00 0.00 54.13 53.52 3i6s s LEU 526 Cb -0.15 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 3i6s s LEU 526 CO -0.03 0.26 -0.21 -0.76 0.23 0.00 0.00 176.35 175.84 3i6s s LEU 527 N -1.89 2.50 0.37 1.79 1.43 -0.02 -4.95 118.68 117.91 3i6s s LEU 527 Ca 0.26 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.47 3i6s s LEU 527 Cb -0.12 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 44.97 3i6s s LEU 527 CO 0.17 0.05 0.05 -0.94 0.23 0.00 0.00 176.35 175.91 3i6s s SER 528 N -3.02 2.93 0.12 2.29 1.04 -1.26 -0.62 113.70 115.18 3i6s s SER 528 Ca 0.24 -1.43 -0.25 0.00 0.48 0.00 0.00 55.95 54.99 3i6s s SER 528 Cb -0.06 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.07 3i6s s SER 528 CO 0.11 -0.62 0.83 0.28 0.98 0.00 0.00 173.24 174.82 3i6s s THR 529 N -3.11 0.00 -0.12 2.02 -1.32 -1.26 -4.91 115.64 106.94 3i6s s THR 529 Ca 0.33 -0.36 0.18 0.00 -1.21 0.00 0.00 61.69 60.62 3i6s s THR 529 Cb 0.08 -1.47 -0.20 0.00 -1.51 0.00 0.00 72.50 69.40 3i6s s THR 529 CO 0.15 0.00 0.56 0.47 -2.21 0.00 0.00 174.62 173.60 3i6s n ASP 530 N -0.38 0.51 -3.85 8.08 10.43 -1.26 -3.94 116.55 126.15 3i6s n ASP 530 Ca -0.09 0.23 -0.19 0.00 2.57 0.00 0.00 54.79 57.31 3i6s n ASP 530 Cb 0.62 0.63 -0.16 0.00 1.84 0.00 0.00 41.12 44.04 3i6s n ASP 530 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3i6s s TYR 531 N -2.87 0.54 0.12 1.24 1.51 -1.26 -0.30 117.35 116.32 3i6s s TYR 531 Ca -0.06 -0.11 0.06 0.00 -1.01 0.00 0.00 57.07 55.95 3i6s s TYR 531 Cb 0.09 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 3i6s s TYR 531 CO 0.83 -0.17 -0.13 -1.50 -1.11 0.00 0.00 175.55 173.47 3i6s s ILE 532 N 1.01 1.26 -0.01 2.71 2.07 -0.47 -4.25 121.20 123.52 3i6s s ILE 532 Ca -0.10 -1.69 -0.21 0.00 -1.41 0.00 0.00 60.65 57.25 3i6s s ILE 532 Cb -0.14 -1.48 -0.05 0.00 0.13 0.00 0.00 42.46 40.92 3i6s s ILE 532 CO -0.01 -0.43 0.60 -0.76 -1.91 0.00 0.00 174.94 172.43 3i6s s LEU 533 N -2.42 4.41 -0.09 8.50 1.43 -1.26 -2.15 118.68 127.10 3i6s s LEU 533 Ca 0.08 1.16 -0.09 0.00 -1.03 0.00 0.00 54.13 54.24 3i6s s LEU 533 Cb -0.05 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.27 3i6s s LEU 533 CO 0.03 0.09 0.26 -0.70 0.23 0.00 0.00 176.35 176.25 3i6s s GLU 534 N -0.12 0.32 0.22 1.70 2.56 -0.13 -4.84 118.70 118.41 3i6s s GLU 534 Ca 0.31 0.33 0.10 0.00 0.00 0.00 0.00 54.97 55.71 3i6s s GLU 534 Cb -0.18 0.15 -0.04 0.00 2.00 0.00 0.00 34.13 36.06 3i6s s GLU 534 CO 0.17 -0.04 -0.09 -1.12 -0.56 0.00 0.00 175.26 173.62 3i6s s SER 535 N 0.06 4.21 0.00 -1.70 0.01 -1.26 -0.62 113.70 114.40 3i6s s SER 535 Ca -0.01 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 3i6s s SER 535 Cb -0.02 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.53 3i6s s SER 535 CO 0.01 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.33 3i6s n GLY 536 N -0.34 3.76 0.28 3.44 0.00 0.38 -4.80 105.19 107.92 3i6s n GLY 536 Ca -0.09 -1.66 0.19 0.00 0.00 0.00 0.00 46.02 44.47 3i6s n GLY 536 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i6s h THR 537 N 0.87 0.00 -0.85 2.61 1.35 -1.83 -0.47 112.91 114.58 3i6s h THR 537 Ca 0.00 -0.02 0.07 0.00 -0.55 0.00 0.00 66.41 65.91 3i6s h THR 537 Cb 0.00 0.85 -0.06 0.00 -1.73 0.00 0.00 68.15 67.22 3i6s h THR 537 CO 0.00 0.00 0.56 0.28 -0.25 0.00 0.00 175.52 176.11 3i6s h SER 538 N 0.00 0.83 0.67 5.36 0.02 -1.90 -1.94 113.55 116.59 3i6s h SER 538 Ca 0.00 0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3i6s h SER 538 Cb 0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3i6s h SER 538 CO 0.00 0.53 -1.20 0.24 -1.14 0.00 0.00 176.83 175.26 3i6s h MET 539 N 0.93 0.24 -0.12 3.45 2.86 -1.35 -3.36 114.93 117.59 3i6s h MET 539 Ca 0.37 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3i6s h MET 539 Cb 0.24 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3i6s h MET 539 CO -0.14 1.19 0.00 0.00 1.06 0.00 0.00 176.91 179.02 3i6s h ALA 540 N 0.64 0.16 -0.38 6.32 0.00 -1.37 -3.31 119.26 121.32 3i6s h ALA 540 Ca -0.12 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.69 3i6s h ALA 540 Cb 1.93 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.60 3i6s h ALA 540 CO 0.19 -0.15 -0.09 0.00 0.00 0.00 0.00 179.25 179.20 3i6s h ALA 541 N 0.76 0.26 0.00 0.00 0.00 -1.51 0.04 119.26 118.80 3i6s h ALA 541 Ca 0.03 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i6s h ALA 541 Cb 0.35 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i6s h ALA 541 CO 0.01 -0.45 -0.02 -1.00 0.00 0.00 0.00 179.25 177.79 3i6s h PRO 542 N 0.01 0.00 -0.11 0.00 0.13 -1.73 -0.02 132.00 130.27 3i6s h PRO 542 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 3i6s h PRO 542 Cb 0.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 3i6s h PRO 542 CO -0.39 0.02 0.04 0.45 -0.23 0.00 0.00 178.00 177.89 3i6s h HIS 543 N 0.00 0.18 -0.68 1.56 3.86 -1.08 -2.42 115.15 116.57 3i6s h HIS 543 Ca -0.00 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3i6s h HIS 543 Cb 0.04 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 3i6s h HIS 543 CO 0.00 0.30 0.20 0.00 0.86 0.00 0.00 177.93 179.30 3i6s h ALA 544 N 0.86 0.90 -0.71 2.45 0.00 -0.94 -2.48 119.26 119.33 3i6s h ALA 544 Ca 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3i6s h ALA 544 Cb 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3i6s h ALA 544 CO -0.00 0.58 0.46 0.00 0.00 0.00 0.00 179.25 180.29 3i6s h ALA 545 N 1.09 0.91 -0.37 0.00 0.00 -1.00 0.22 119.26 120.11 3i6s h ALA 545 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3i6s h ALA 545 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i6s h ALA 545 CO -0.00 0.28 -0.06 0.78 0.00 0.00 0.00 179.25 180.24 3i6s h GLY 546 N 0.92 0.76 0.97 0.00 0.00 -1.28 -0.22 103.07 104.21 3i6s h GLY 546 Ca 0.27 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3i6s h GLY 546 CO -0.08 0.55 0.21 -2.22 0.00 0.00 0.00 176.54 175.00 3i6s h ILE 547 N 0.50 1.15 -0.96 2.60 2.04 -1.07 -0.77 117.51 121.01 3i6s h ILE 547 Ca 0.10 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3i6s h ILE 547 Cb 0.56 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3i6s h ILE 547 CO 0.03 0.15 0.61 0.00 0.00 0.00 0.00 178.15 178.95 3i6s h ALA 548 N 1.07 1.31 -0.58 1.87 0.00 -0.39 -0.31 119.26 122.22 3i6s h ALA 548 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3i6s h ALA 548 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3i6s h ALA 548 CO -0.02 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.77 3i6s h ALA 549 N 1.43 0.77 -0.45 0.00 0.00 -0.42 -1.34 119.26 119.25 3i6s h ALA 549 Ca 0.41 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3i6s h ALA 549 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i6s h ALA 549 CO -0.16 0.49 -0.22 0.52 0.00 0.00 0.00 179.25 179.88 3i6s h MET 550 N 0.85 0.95 -0.70 0.00 2.07 -0.58 -1.24 114.93 116.28 3i6s h MET 550 Ca 0.18 -0.41 0.10 0.00 -2.07 0.00 0.00 59.70 57.50 3i6s h MET 550 Cb 0.37 -0.03 -0.08 0.00 -1.87 0.00 0.00 31.60 30.00 3i6s h MET 550 CO 0.01 1.08 0.32 -0.07 1.07 0.00 0.00 176.91 179.31 3i6s h LEU 551 N 0.79 0.38 -1.24 1.22 3.38 -0.87 -0.03 115.31 118.94 3i6s h LEU 551 Ca 0.10 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3i6s h LEU 551 Cb 0.79 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3i6s h LEU 551 CO 0.07 0.21 -0.38 0.50 0.09 0.00 0.00 178.44 178.93 3i6s h LYS 552 N 0.53 0.00 -0.04 1.13 3.11 -0.78 -0.09 116.57 120.43 3i6s h LYS 552 Ca 0.36 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 58.01 3i6s h LYS 552 Cb 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 3i6s h LYS 552 CO -0.30 0.38 -0.77 0.00 -2.81 0.00 0.00 179.45 175.95 3i6s h ALA 553 N 1.62 0.61 -0.04 5.00 0.00 -0.19 -2.64 119.26 123.62 3i6s h ALA 553 Ca -0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 54.91 54.08 3i6s h ALA 553 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i6s h ALA 553 CO 0.05 0.81 -0.79 0.00 0.00 0.00 0.00 179.25 179.32 3i6s h ALA 554 N 0.99 0.56 -2.94 0.00 0.00 -0.47 -3.39 119.26 114.01 3i6s h ALA 554 Ca -0.03 -0.65 -0.61 0.00 0.00 0.00 0.00 54.91 53.62 3i6s h ALA 554 Cb 1.35 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.68 3i6s h ALA 554 CO 0.12 0.80 -0.74 -1.01 0.00 0.00 0.00 179.25 178.43 3i6s s HIS 555 N -3.47 2.13 -0.89 0.00 3.76 -0.10 -4.99 115.29 111.73 3i6s s HIS 555 Ca -0.05 -2.56 0.08 0.00 -0.15 0.00 0.00 55.06 52.38 3i6s s HIS 555 Cb 0.10 -1.91 0.37 0.00 1.11 0.00 0.00 32.58 32.25 3i6s s HIS 555 CO 0.84 -0.75 1.25 -2.30 -0.85 0.00 0.00 174.74 172.93 3i6s n PRO 556 N 3.22 0.03 -0.00 8.40 -0.02 -1.00 -2.02 135.00 143.61 3i6s n PRO 556 Ca 0.13 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 3i6s n PRO 556 Cb 0.36 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 32.16 3i6s n PRO 556 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i6s n GLU 557 N -1.62 0.99 -1.90 -0.52 -0.58 -1.26 -4.98 120.64 110.77 3i6s n GLU 557 Ca 0.01 -0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 3i6s n GLU 557 Cb 0.07 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 3i6s n GLU 557 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3i6s s TRP 558 N -2.82 2.96 0.73 -0.32 0.52 -0.86 -4.99 118.94 114.16 3i6s s TRP 558 Ca 0.04 0.77 -0.11 0.00 0.02 0.00 0.00 56.10 56.82 3i6s s TRP 558 Cb 0.13 -3.94 0.03 0.00 -1.15 0.00 0.00 33.47 28.54 3i6s s TRP 558 CO 0.74 -3.29 1.07 -1.54 0.02 0.00 0.00 176.95 173.95 3i6s s SER 559 N 0.73 5.06 0.29 2.95 1.04 -1.26 -4.83 113.70 117.68 3i6s s SER 559 Ca 0.65 1.53 0.05 0.00 0.48 0.00 0.00 55.95 58.66 3i6s s SER 559 Cb -0.45 -2.35 0.75 0.00 0.10 0.00 0.00 66.02 64.07 3i6s s SER 559 CO 0.39 -1.64 1.71 -0.65 0.98 0.00 0.00 173.24 174.03 3i6s h PRO 560 N -0.85 0.44 -0.35 4.02 0.11 -1.93 -1.06 132.00 132.37 3i6s h PRO 560 Ca -0.45 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 3i6s h PRO 560 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i6s h PRO 560 CO 0.57 0.29 -0.39 0.77 -0.21 0.00 0.00 178.00 179.03 3i6s h SER 561 N 0.45 0.96 -0.31 -2.05 0.02 -1.92 -1.91 113.55 108.80 3i6s h SER 561 Ca 0.57 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3i6s h SER 561 Cb 1.07 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3i6s h SER 561 CO -0.51 1.24 0.12 0.00 -1.14 0.00 0.00 176.83 176.55 3i6s h ALA 562 N 0.75 0.40 -0.69 3.77 0.00 -1.61 -0.62 119.26 121.26 3i6s h ALA 562 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i6s h ALA 562 Cb 0.98 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3i6s h ALA 562 CO 0.09 -0.01 0.44 0.82 0.00 0.00 0.00 179.25 180.59 3i6s h ILE 563 N 0.35 1.12 -0.14 0.00 2.04 -1.15 0.35 117.51 120.08 3i6s h ILE 563 Ca 0.10 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 3i6s h ILE 563 Cb 0.18 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3i6s h ILE 563 CO -0.01 0.16 -0.08 -0.09 0.00 0.00 0.00 178.15 178.13 3i6s h ARG 564 N 0.87 0.20 0.05 2.37 2.43 -1.16 -2.25 114.38 116.89 3i6s h ARG 564 Ca 0.27 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3i6s h ARG 564 Cb -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3i6s h ARG 564 CO -0.09 0.30 -0.02 1.03 -1.51 0.00 0.00 179.97 179.68 3i6s h SER 565 N 0.20 -0.06 -0.54 -3.80 0.87 0.81 -1.85 113.55 109.18 3i6s h SER 565 Ca 0.04 -0.29 0.10 0.00 -1.23 0.00 0.00 61.79 60.42 3i6s h SER 565 Cb 0.28 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.17 3i6s h SER 565 CO 0.01 0.26 0.07 0.00 -0.53 0.00 0.00 176.83 176.64 3i6s h ALA 566 N 0.55 0.58 -0.08 6.23 0.00 -0.21 -0.43 119.26 125.90 3i6s h ALA 566 Ca -0.01 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i6s h ALA 566 Cb 0.34 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i6s h ALA 566 CO 0.01 -0.34 -0.22 0.52 0.00 0.00 0.00 179.25 179.22 3i6s h MET 567 N 0.19 0.13 0.00 0.00 2.07 -1.33 -3.04 114.93 112.96 3i6s h MET 567 Ca 0.28 -0.04 -0.07 0.00 -2.07 0.00 0.00 59.70 57.80 3i6s h MET 567 Cb 0.41 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 3i6s h MET 567 CO -0.39 0.35 -0.51 0.52 1.07 0.00 0.00 176.91 177.95 3i6s h MET 568 N 0.12 0.00 0.00 1.72 2.07 -0.40 -2.97 114.93 115.47 3i6s h MET 568 Ca 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 3i6s h MET 568 Cb 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 3i6s h MET 568 CO 0.03 0.54 0.00 0.25 1.07 0.00 0.00 176.91 178.80 3i6s n THR 569 N -4.59 0.63 0.44 2.22 -2.24 -0.28 -1.10 114.28 109.36 3i6s n THR 569 Ca -0.14 0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 3i6s n THR 569 Cb 0.38 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 3i6s n THR 569 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3i6s n THR 570 N -1.28 0.00 -1.28 4.28 5.66 -1.15 -1.71 114.28 118.80 3i6s n THR 570 Ca 0.06 -0.34 -0.33 0.00 -3.05 0.00 0.00 64.05 60.40 3i6s n THR 570 Cb 0.11 1.06 0.10 0.00 -1.55 0.00 0.00 70.33 70.05 3i6s n THR 570 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i6s s ALA 571 N -1.62 2.02 -0.23 1.79 0.00 -0.26 -4.58 121.76 118.89 3i6s s ALA 571 Ca 0.06 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 3i6s s ALA 571 Cb 0.07 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3i6s s ALA 571 CO 0.32 -2.00 0.04 0.34 0.00 0.00 0.00 175.76 174.45 3i6s s ASP 572 N -2.38 4.98 0.00 0.00 3.68 -0.45 -4.83 116.67 117.67 3i6s s ASP 572 Ca 0.70 -0.21 0.24 0.00 2.13 0.00 0.00 52.55 55.42 3i6s s ASP 572 Cb -0.25 -1.88 1.02 0.00 -1.45 0.00 0.00 42.92 40.36 3i6s s ASP 572 CO 0.49 0.01 1.71 -0.81 0.13 0.00 0.00 175.17 176.70 3i6s n PRO 573 N 4.62 1.53 -4.23 4.34 -0.04 -1.26 -0.87 135.00 139.10 3i6s n PRO 573 Ca -0.17 -0.79 -0.28 0.00 -0.04 0.00 0.00 63.50 62.23 3i6s n PRO 573 Cb 0.51 -1.42 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 3i6s n PRO 573 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i6s s LEU 574 N -1.76 3.16 -0.21 1.53 1.43 -1.26 -1.17 118.68 120.40 3i6s s LEU 574 Ca 0.35 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3i6s s LEU 574 Cb 0.18 -1.86 -0.20 0.00 0.03 0.00 0.00 46.19 44.35 3i6s s LEU 574 CO 0.29 0.12 -0.03 -0.90 0.23 0.00 0.00 176.35 176.06 3i6s n ASP 575 N 0.16 2.02 -2.21 2.29 5.68 -1.26 -4.76 116.55 118.47 3i6s n ASP 575 Ca -0.11 0.05 -0.28 0.00 -0.50 0.00 0.00 54.79 53.95 3i6s n ASP 575 Cb 0.54 -0.63 0.10 0.00 -1.14 0.00 0.00 41.12 40.00 3i6s n ASP 575 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i6s n ARG 578 N -3.49 2.40 -3.27 0.11 5.12 -1.26 -4.94 116.66 111.32 3i6s n ARG 578 Ca -0.42 -2.90 -0.18 0.00 -1.93 0.00 0.00 57.85 52.42 3i6s n ARG 578 Cb 0.98 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3i6s n ARG 578 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i6s s LYS 579 N -3.31 2.95 0.19 5.56 1.02 -1.26 -5.07 119.74 119.82 3i6s s LYS 579 Ca 0.57 -1.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 3i6s s LYS 579 Cb 0.45 -2.77 -0.10 0.00 -0.52 0.00 0.00 37.83 34.89 3i6s s LYS 579 CO 0.03 -0.10 1.58 -1.25 -0.92 0.00 0.00 175.35 174.69 3i6s s PRO 580 N -4.25 4.20 0.27 -1.68 0.04 -1.26 -4.23 135.00 128.09 3i6s s PRO 580 Ca 0.50 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.65 3i6s s PRO 580 Cb -0.09 -3.13 -0.14 0.00 0.04 0.00 0.00 34.50 31.18 3i6s s PRO 580 CO 0.32 -0.61 1.21 -0.89 0.04 0.00 0.00 177.00 177.07 3i6s n ILE 581 N 3.65 1.53 -3.55 0.56 5.41 -0.32 -4.74 119.36 121.90 3i6s n ILE 581 Ca 0.13 -0.38 -0.26 0.00 1.00 0.00 0.00 62.75 63.23 3i6s n ILE 581 Cb 0.38 -1.24 -0.03 0.00 -0.71 0.00 0.00 39.64 38.04 3i6s n ILE 581 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3i6s s LYS 582 N -1.13 3.53 -0.30 0.38 -0.14 -1.26 0.44 119.74 121.27 3i6s s LYS 582 Ca 0.63 -0.28 -0.17 0.00 -1.36 0.00 0.00 55.97 54.78 3i6s s LYS 582 Cb -0.68 -2.76 -0.02 0.00 -1.68 0.00 0.00 37.83 32.69 3i6s s LYS 582 CO 0.56 0.30 0.47 0.34 -0.76 0.00 0.00 175.35 176.27 3i6s s ASP 583 N -3.41 6.34 0.63 2.83 2.15 0.54 -1.31 116.67 124.43 3i6s s ASP 583 Ca 0.40 0.26 0.42 0.00 0.43 0.00 0.00 52.55 54.05 3i6s s ASP 583 Cb -0.10 -2.26 2.24 0.00 -0.30 0.00 0.00 42.92 42.50 3i6s s ASP 583 CO 0.31 -0.33 2.28 -1.28 -0.17 0.00 0.00 175.17 175.98 3i6s h SER 584 N 8.22 0.00 1.24 -0.34 0.87 -1.44 0.91 113.55 123.01 3i6s h SER 584 Ca -0.29 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.11 3i6s h SER 584 Cb 1.14 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 3i6s h SER 584 CO 0.71 0.00 -0.74 -0.78 -0.53 0.00 0.00 176.83 175.49 3i6s h ASP 585 N 0.00 0.00 0.00 6.23 3.58 -1.89 -3.39 116.42 120.95 3i6s h ASP 585 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3i6s h ASP 585 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3i6s h ASP 585 CO 0.00 0.74 -0.24 -0.46 -2.88 0.00 0.00 179.24 176.41 3i6s n ASN 586 N -3.30 1.19 -0.22 2.28 2.04 -0.88 -5.03 115.26 111.34 3i6s n ASN 586 Ca 0.01 -0.09 -0.03 0.00 -0.44 0.00 0.00 54.58 54.03 3i6s n ASN 586 Cb 0.83 0.41 -0.01 0.00 -2.53 0.00 0.00 39.78 38.48 3i6s n ASN 586 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3i6s n ASN 587 N -0.53 -3.75 -5.00 0.53 5.03 0.31 -5.01 115.26 106.84 3i6s n ASN 587 Ca 0.00 0.07 -0.18 0.00 0.87 0.00 0.00 54.58 55.34 3i6s n ASN 587 Cb 0.00 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.25 3i6s n ASN 587 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3i6s s LYS 588 N -1.54 2.94 0.22 3.52 1.02 -1.25 -4.78 119.74 119.87 3i6s s LYS 588 Ca 0.00 -1.16 -0.32 0.00 0.02 0.00 0.00 55.97 54.52 3i6s s LYS 588 Cb 0.00 -2.77 -0.13 0.00 -0.52 0.00 0.00 37.83 34.40 3i6s s LYS 588 CO 0.00 -0.13 1.49 0.00 -0.92 0.00 0.00 175.35 175.79 3i6s n ALA 589 N -1.75 1.40 -1.77 5.17 0.00 -1.26 -0.34 120.51 121.95 3i6s n ALA 589 Ca 0.05 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 3i6s n ALA 589 Cb 0.59 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 3i6s n ALA 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6s s ALA 590 N 0.29 3.10 0.52 0.00 0.00 0.17 -4.63 121.76 121.21 3i6s s ALA 590 Ca 0.71 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 3i6s s ALA 590 Cb -0.64 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.08 3i6s s ALA 590 CO 0.45 -0.66 0.76 0.99 0.00 0.00 0.00 175.76 177.30 3i6s s THR 591 N -1.42 3.56 0.48 0.00 2.01 -1.26 -4.92 115.64 114.09 3i6s s THR 591 Ca 0.60 -0.41 0.35 0.00 0.31 0.00 0.00 61.69 62.54 3i6s s THR 591 Cb -0.32 -3.35 0.38 0.00 0.01 0.00 0.00 72.50 69.22 3i6s s THR 591 CO 0.40 -0.28 2.20 -0.65 -0.69 0.00 0.00 174.62 175.60 3i6s h PRO 592 N 0.15 0.00 0.00 4.92 0.11 -1.93 0.15 132.00 135.40 3i6s h PRO 592 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i6s h PRO 592 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3i6s h PRO 592 CO 0.57 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.68 3i6s n LEU 593 N -3.37 0.00 -0.09 2.35 4.77 -1.26 0.69 117.00 120.09 3i6s n LEU 593 Ca -0.02 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3i6s n LEU 593 Cb 0.17 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 3i6s n LEU 593 CO 0.25 -0.02 -1.08 0.47 -1.33 0.00 0.00 177.39 175.69 3i6s n ASP 594 N -1.27 2.14 0.00 -1.43 8.00 0.29 -1.16 116.55 123.12 3i6s n ASP 594 Ca 0.14 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3i6s n ASP 594 Cb 0.22 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3i6s n ASP 594 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 3i6s n MET 595 N -2.89 0.06 0.00 -1.24 0.00 0.06 -4.85 117.12 108.26 3i6s n MET 595 Ca -0.30 -0.51 0.00 0.00 0.00 0.00 0.00 57.70 56.89 3i6s n MET 595 Cb 0.90 -0.51 0.00 0.00 0.00 0.00 0.00 33.22 33.61 3i6s n MET 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i6s n GLY 596 N -0.01 3.24 0.24 3.17 0.00 0.22 -1.70 105.19 110.34 3i6s n GLY 596 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3i6s n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6s h ALA 597 N -0.90 1.07 0.00 4.61 0.00 -0.97 -3.36 119.26 119.70 3i6s h ALA 597 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3i6s h ALA 597 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i6s h ALA 597 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3i6s n GLY 598 N -0.05 0.80 3.71 0.00 0.00 -0.69 -4.23 105.19 104.72 3i6s n GLY 598 Ca -0.00 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3i6s n GLY 598 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i6s s HIS 599 N -1.89 3.61 0.25 1.61 2.46 -0.05 0.05 115.29 121.33 3i6s s HIS 599 Ca 0.00 1.56 -0.30 0.00 0.47 0.00 0.00 55.06 56.79 3i6s s HIS 599 Cb 0.00 -3.05 -0.14 0.00 -0.13 0.00 0.00 32.58 29.26 3i6s s HIS 599 CO 0.00 -0.02 1.16 0.28 -2.47 0.00 0.00 174.74 173.69 3i6s n VAL 600 N 3.99 1.45 -3.59 0.89 0.31 -0.74 -1.34 118.33 119.31 3i6s n VAL 600 Ca 0.05 -0.36 -0.27 0.00 -0.01 0.00 0.00 64.34 63.74 3i6s n VAL 600 Cb 0.51 -1.10 -0.10 0.00 -0.91 0.00 0.00 33.84 32.23 3i6s n VAL 600 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i6s n ASP 601 N 1.61 1.29 -0.23 4.52 -0.08 -1.26 -4.82 116.55 117.58 3i6s n ASP 601 Ca 0.11 -2.81 -0.06 0.00 -1.51 0.00 0.00 54.79 50.52 3i6s n ASP 601 Cb 0.30 -0.65 -0.00 0.00 2.34 0.00 0.00 41.12 43.11 3i6s n ASP 601 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i6s h PRO 602 N 5.31 -0.16 -0.57 -0.67 0.10 -1.93 -1.86 132.00 132.22 3i6s h PRO 602 Ca 0.20 0.01 0.08 0.00 0.10 0.00 0.00 66.00 66.39 3i6s h PRO 602 Cb 0.83 0.04 -0.06 0.00 0.10 0.00 0.00 31.00 31.90 3i6s h PRO 602 CO 0.55 -0.10 0.22 -0.91 0.10 0.00 0.00 178.00 177.86 3i6s h ASN 603 N -0.16 0.24 -0.50 -2.05 2.35 -1.94 -0.82 115.58 112.71 3i6s h ASN 603 Ca 0.23 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3i6s h ASN 603 Cb 0.56 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3i6s h ASN 603 CO -0.72 0.15 0.16 0.03 -1.65 0.00 0.00 177.43 175.40 3i6s h ARG 604 N 0.41 0.77 0.00 0.81 3.08 -1.79 -2.65 114.38 115.01 3i6s h ARG 604 Ca 0.28 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3i6s h ARG 604 Cb 0.31 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3i6s h ARG 604 CO -0.27 0.72 0.18 0.00 -1.07 0.00 0.00 179.97 179.53 3i6s h ALA 605 N 1.01 1.16 0.00 0.04 0.00 -0.36 0.41 119.26 121.52 3i6s h ALA 605 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3i6s h ALA 605 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3i6s h ALA 605 CO -0.01 -0.16 -0.33 1.25 0.00 0.00 0.00 179.25 180.00 3i6s h LEU 606 N 0.00 0.00 -6.15 0.00 5.85 -1.06 -3.37 115.31 110.58 3i6s h LEU 606 Ca 0.00 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 3i6s h LEU 606 Cb 0.35 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.00 3i6s h LEU 606 CO 0.00 0.33 -1.05 -0.67 -0.34 0.00 0.00 178.44 176.71 3i6s n ASP 607 N -3.87 0.04 0.15 1.25 -0.08 0.14 -4.97 116.55 109.21 3i6s n ASP 607 Ca -0.01 -2.60 0.12 0.00 -1.51 0.00 0.00 54.79 50.79 3i6s n ASP 607 Cb 0.40 -0.61 0.25 0.00 2.34 0.00 0.00 41.12 43.50 3i6s n ASP 607 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i6s h PRO 608 N 4.61 0.00 0.00 -0.67 0.13 -1.72 -3.48 132.00 130.86 3i6s h PRO 608 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3i6s h PRO 608 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3i6s h PRO 608 CO 0.44 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 3i6s n GLY 609 N 1.21 1.71 3.26 1.56 0.00 -1.26 -4.62 105.19 107.04 3i6s n GLY 609 Ca 0.04 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3i6s n GLY 609 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6s s LEU 610 N 0.00 2.11 0.03 0.99 1.43 -1.26 -0.23 118.68 121.74 3i6s s LEU 610 Ca 0.00 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3i6s s LEU 610 Cb 0.00 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 3i6s s LEU 610 CO 0.00 0.22 -0.20 0.68 0.23 0.00 0.00 176.35 177.29 3i6s s VAL 611 N -0.67 1.58 -0.67 -1.59 -7.23 -0.64 -4.83 120.40 106.34 3i6s s VAL 611 Ca 0.09 -1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.97 3i6s s VAL 611 Cb -0.09 -1.36 0.08 0.00 0.56 0.00 0.00 36.38 35.57 3i6s s VAL 611 CO 0.01 0.26 0.93 -0.31 -0.31 0.00 0.00 175.10 175.67 3i6s s TYR 612 N -0.70 2.78 0.67 2.82 2.02 -1.26 -1.62 117.35 122.06 3i6s s TYR 612 Ca 0.07 -0.72 -0.04 0.00 -0.37 0.00 0.00 57.07 56.01 3i6s s TYR 612 Cb -0.08 -4.24 0.07 0.00 -0.40 0.00 0.00 41.96 37.31 3i6s s TYR 612 CO 0.01 -1.56 0.95 0.34 -1.57 0.00 0.00 175.55 173.72 3i6s s ASP 613 N 3.67 4.80 -0.02 2.29 -1.08 -1.26 -4.35 116.67 120.72 3i6s s ASP 613 Ca 0.21 0.17 -0.29 0.00 -0.52 0.00 0.00 52.55 52.13 3i6s s ASP 613 Cb -0.17 -0.83 0.10 0.00 -1.46 0.00 0.00 42.92 40.56 3i6s s ASP 613 CO 0.07 -1.55 0.89 0.00 0.52 0.00 0.00 175.17 175.10 3i6s s ALA 614 N -3.11 -1.83 0.30 3.66 0.00 -1.26 -4.76 121.76 114.77 3i6s s ALA 614 Ca 0.61 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.73 3i6s s ALA 614 Cb -0.09 0.28 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 3i6s s ALA 614 CO 0.43 -0.63 -0.10 0.95 0.00 0.00 0.00 175.76 176.41 3i6s s THR 615 N -2.84 2.00 0.20 0.00 -4.23 -1.26 -4.76 115.64 104.75 3i6s s THR 615 Ca 0.04 -2.20 -0.11 0.00 -1.18 0.00 0.00 61.69 58.24 3i6s s THR 615 Cb -0.01 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.50 3i6s s THR 615 CO -0.07 -0.29 1.69 -0.65 -0.54 0.00 0.00 174.62 174.76 3i6s h PRO 616 N 2.19 0.20 -0.87 3.99 0.11 -1.88 0.88 132.00 136.62 3i6s h PRO 616 Ca -0.41 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.87 3i6s h PRO 616 Cb 1.24 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3i6s h PRO 616 CO 0.67 0.13 0.57 0.37 -0.21 0.00 0.00 178.00 179.54 3i6s h GLN 617 N 0.20 0.46 -0.40 1.05 5.75 -1.96 0.01 115.11 120.23 3i6s h GLN 617 Ca 0.30 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.74 3i6s h GLN 617 Cb 0.45 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 3i6s h GLN 617 CO -0.42 0.31 0.11 -0.44 -2.65 0.00 0.00 178.83 175.73 3i6s h ASP 618 N 0.48 0.53 0.03 -0.69 3.32 -1.22 -0.84 116.42 118.04 3i6s h ASP 618 Ca 0.45 -0.07 -0.24 0.00 0.02 0.00 0.00 57.03 57.18 3i6s h ASP 618 Cb 1.00 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 40.44 3i6s h ASP 618 CO -0.18 0.53 -0.96 1.88 -1.72 0.00 0.00 179.24 178.79 3i6s h TYR 619 N 0.57 0.90 -0.29 4.55 -1.99 -0.85 -2.08 116.97 117.79 3i6s h TYR 619 Ca 0.13 -0.52 0.07 0.00 2.00 0.00 0.00 58.73 60.41 3i6s h TYR 619 Cb 0.20 -0.09 -0.07 0.00 2.00 0.00 0.00 36.73 38.77 3i6s h TYR 619 CO 0.01 1.35 -0.15 0.28 -0.00 0.00 0.00 178.16 179.65 3i6s h VAL 620 N 0.20 0.55 -0.84 -2.88 2.07 -1.15 0.60 116.25 114.81 3i6s h VAL 620 Ca -0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.48 3i6s h VAL 620 Cb 1.64 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 3i6s h VAL 620 CO 0.19 0.00 0.54 0.78 0.02 0.00 0.00 177.57 179.10 3i6s h ASN 621 N -0.11 0.74 0.06 0.57 2.35 -1.13 0.25 115.58 118.31 3i6s h ASN 621 Ca 0.15 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3i6s h ASN 621 Cb 0.34 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3i6s h ASN 621 CO -0.36 0.45 -0.03 0.25 -1.65 0.00 0.00 177.43 176.09 3i6s h LEU 622 N 0.82 -0.07 -1.00 1.61 6.46 -0.46 -2.13 115.31 120.54 3i6s h LEU 622 Ca 0.38 -0.41 0.16 0.00 -0.12 0.00 0.00 57.88 57.89 3i6s h LEU 622 Cb 0.39 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.24 3i6s h LEU 622 CO -0.15 0.38 0.61 0.25 -0.62 0.00 0.00 178.44 178.91 3i6s h LEU 623 N -0.54 0.83 -1.19 2.25 5.85 0.71 -1.18 115.31 122.03 3i6s h LEU 623 Ca -0.01 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3i6s h LEU 623 Cb 0.47 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3i6s h LEU 623 CO 0.01 0.37 0.14 0.00 -0.34 0.00 0.00 178.44 178.62 3i6s n SER 625 N -4.32 0.00 0.22 0.00 3.41 -0.45 -2.90 113.62 109.59 3i6s n SER 625 Ca 0.03 0.04 0.15 0.00 -0.26 0.00 0.00 58.87 58.83 3i6s n SER 625 Cb 0.19 -0.32 0.48 0.00 -0.26 0.00 0.00 64.21 64.30 3i6s n SER 625 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i6s h LEU 626 N 0.00 0.00 -2.05 1.04 4.07 -1.35 -3.48 115.31 113.54 3i6s h LEU 626 Ca 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.63 3i6s h LEU 626 Cb 0.26 0.00 0.15 0.00 1.08 0.00 0.00 40.66 42.15 3i6s h LEU 626 CO 0.00 0.00 -0.82 0.59 -1.08 0.00 0.00 178.44 177.13 3i6s n ASN 627 N -2.88 -3.56 -4.91 -0.43 3.02 -1.14 -5.01 115.26 100.34 3i6s n ASN 627 Ca 0.02 -0.72 -0.27 0.00 -0.03 0.00 0.00 54.58 53.58 3i6s n ASN 627 Cb 0.37 -4.79 0.02 0.00 -0.61 0.00 0.00 39.78 34.77 3i6s n ASN 627 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i6s s PHE 628 N -3.44 3.35 0.85 3.10 2.99 -1.26 -5.06 117.98 118.50 3i6s s PHE 628 Ca 0.18 0.74 -0.12 0.00 0.00 0.00 0.00 56.93 57.73 3i6s s PHE 628 Cb -0.03 -2.66 0.11 0.00 0.00 0.00 0.00 43.02 40.44 3i6s s PHE 628 CO 0.76 -0.71 1.17 0.95 -0.00 0.00 0.00 175.22 177.39 3i6s s THR 629 N -2.97 2.11 -0.51 0.64 -4.23 -1.26 -4.74 115.64 104.68 3i6s s THR 629 Ca 0.53 0.04 0.23 0.00 -1.18 0.00 0.00 61.69 61.31 3i6s s THR 629 Cb -0.11 -2.27 0.24 0.00 1.34 0.00 0.00 72.50 71.70 3i6s s THR 629 CO 0.46 -0.04 1.70 -1.84 -0.54 0.00 0.00 174.62 174.36 3i6s n GLU 630 N -3.73 0.19 -0.01 3.99 0.28 -1.26 -0.83 120.64 119.27 3i6s n GLU 630 Ca 0.13 0.41 -0.17 0.00 -0.16 0.00 0.00 57.16 57.37 3i6s n GLU 630 Cb 0.51 -1.85 -0.13 0.00 1.43 0.00 0.00 31.44 31.40 3i6s n GLU 630 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 3i6s h GLU 631 N 0.00 0.19 -0.44 3.44 4.81 -1.99 -2.04 114.58 118.55 3i6s h GLU 631 Ca 0.00 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 3i6s h GLU 631 Cb 0.36 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3i6s h GLU 631 CO 0.00 1.07 0.21 1.96 -0.73 0.00 0.00 179.01 181.52 3i6s h GLN 632 N -0.55 0.40 -0.60 1.92 4.20 -1.82 -0.73 115.11 117.93 3i6s h GLN 632 Ca -0.07 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.70 3i6s h GLN 632 Cb 1.25 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.88 3i6s h GLN 632 CO 0.08 0.27 0.26 0.35 -0.67 0.00 0.00 178.83 179.11 3i6s h PHE 633 N 0.41 0.46 -0.34 2.96 3.57 -1.03 -1.65 116.94 121.33 3i6s h PHE 633 Ca 0.20 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3i6s h PHE 633 Cb 0.13 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3i6s h PHE 633 CO -0.11 0.16 -0.10 0.87 -2.23 0.00 0.00 178.31 176.90 3i6s h LYS 634 N 0.47 0.58 -0.43 1.11 1.79 -0.88 -0.82 116.57 118.39 3i6s h LYS 634 Ca 0.29 -0.17 0.05 0.00 -2.18 0.00 0.00 60.65 58.64 3i6s h LYS 634 Cb 0.30 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 3i6s h LYS 634 CO -0.25 0.67 0.16 1.15 -1.08 0.00 0.00 179.45 180.10 3i6s h THR 635 N 0.53 0.87 0.07 -0.16 2.02 -0.18 -2.90 112.91 113.17 3i6s h THR 635 Ca 0.10 -0.11 -0.26 0.00 0.77 0.00 0.00 66.41 66.91 3i6s h THR 635 Cb 0.49 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3i6s h THR 635 CO 0.03 0.06 -1.10 0.40 0.37 0.00 0.00 175.52 175.27 3i6s h ILE 636 N 0.33 1.41 0.00 3.11 2.04 -1.24 -3.39 117.51 119.76 3i6s h ILE 636 Ca 0.20 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.40 3i6s h ILE 636 Cb 0.18 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3i6s h ILE 636 CO -0.20 0.79 0.00 0.00 0.00 0.00 0.00 178.15 178.74 3i6s n ALA 637 N -2.57 2.17 -0.03 1.87 0.00 -0.34 -4.71 120.51 116.92 3i6s n ALA 637 Ca -0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 3i6s n ALA 637 Cb 0.93 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 3i6s n ALA 637 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i6s h ARG 638 N 0.00 0.01 0.00 0.00 -0.00 -1.77 0.02 114.38 112.64 3i6s h ARG 638 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 3i6s h ARG 638 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.53 3i6s h ARG 638 CO 0.00 0.62 -0.19 -1.13 -0.00 0.00 0.00 179.97 179.27 3i6s n SER 639 N -4.79 2.01 -0.00 0.08 3.41 -1.26 -4.56 113.62 108.52 3i6s n SER 639 Ca -0.09 -3.23 0.10 0.00 -0.26 0.00 0.00 58.87 55.39 3i6s n SER 639 Cb 0.31 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 63.69 3i6s n SER 639 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i6s n SER 640 N -1.23 0.86 -3.50 4.04 3.41 -0.01 -4.99 113.62 112.21 3i6s n SER 640 Ca 0.16 -0.86 -0.11 0.00 -0.26 0.00 0.00 58.87 57.79 3i6s n SER 640 Cb 0.67 1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 3i6s n SER 640 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i6s s ALA 641 N -3.06 -1.40 0.21 7.33 0.00 -1.22 -5.11 121.76 118.51 3i6s s ALA 641 Ca 0.06 0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.43 3i6s s ALA 641 Cb 0.16 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 3i6s s ALA 641 CO 0.87 -0.75 -0.16 -1.54 0.00 0.00 0.00 175.76 174.19 3i6s s SER 642 N -2.77 3.86 -1.14 0.00 1.04 -1.26 -4.83 113.70 108.60 3i6s s SER 642 Ca 0.02 -0.77 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 3i6s s SER 642 Cb -0.00 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.63 3i6s s SER 642 CO -0.12 0.09 1.77 -2.28 0.98 0.00 0.00 173.24 173.68 3i6s s HIS 643 N -1.91 2.32 0.00 5.02 2.46 -1.26 -4.99 115.29 116.94 3i6s s HIS 643 Ca 0.25 -0.48 0.00 0.00 0.47 0.00 0.00 55.06 55.30 3i6s s HIS 643 Cb -0.07 -4.41 0.00 0.00 -0.13 0.00 0.00 32.58 27.97 3i6s s HIS 643 CO 0.14 -1.65 0.00 0.00 -2.47 0.00 0.00 174.74 170.76 3i6s n SER 646 N 0.00 3.32 -3.03 0.00 3.41 -1.26 -4.53 113.62 111.53 3i6s n SER 646 Ca 0.00 -1.99 -0.24 0.00 -0.26 0.00 0.00 58.87 56.38 3i6s n SER 646 Cb 0.00 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 3i6s n SER 646 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i6s n ASN 647 N 1.45 3.26 -4.68 4.04 3.02 -1.26 -5.09 115.26 116.00 3i6s n ASN 647 Ca 0.18 -3.46 -0.43 0.00 -0.03 0.00 0.00 54.58 50.84 3i6s n ASN 647 Cb 0.60 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 3i6s n ASN 647 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i6s n PRO 648 N -0.04 1.96 -3.38 3.52 -0.04 -1.26 -4.74 135.00 131.02 3i6s n PRO 648 Ca 0.29 0.69 0.02 0.00 -0.04 0.00 0.00 63.50 64.46 3i6s n PRO 648 Cb 0.48 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 3i6s n PRO 648 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i6s s SER 649 N -0.34 -0.98 0.13 3.54 0.15 -0.84 -4.95 113.70 110.41 3i6s s SER 649 Ca 0.56 1.01 0.23 0.00 0.70 0.00 0.00 55.95 58.46 3i6s s SER 649 Cb -0.60 1.99 0.07 0.00 -1.71 0.00 0.00 66.02 65.77 3i6s s SER 649 CO 0.61 -0.19 1.07 0.00 1.20 0.00 0.00 173.24 175.94 3i6s n ALA 650 N 5.33 2.83 -1.41 5.45 0.00 -1.26 -3.08 120.51 128.37 3i6s n ALA 650 Ca -0.07 -0.29 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 3i6s n ALA 650 Cb 0.51 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 3i6s n ALA 650 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i6s n ASP 651 N -2.35 5.08 -4.73 0.00 2.03 -1.26 -4.93 116.55 110.39 3i6s n ASP 651 Ca 0.01 -2.68 -0.42 0.00 0.52 0.00 0.00 54.79 52.22 3i6s n ASP 651 Cb 0.50 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.39 3i6s n ASP 651 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3i6s s LEU 652 N 1.26 4.38 -0.88 -2.67 1.98 -1.26 -4.86 118.68 116.62 3i6s s LEU 652 Ca 0.54 2.59 -0.26 0.00 -2.89 0.00 0.00 54.13 54.12 3i6s s LEU 652 Cb 0.15 -3.60 -0.13 0.00 0.66 0.00 0.00 46.19 43.27 3i6s s LEU 652 CO -0.04 -0.76 2.23 0.21 -1.89 0.00 0.00 176.35 176.10 3i6s s ASN 653 N 0.88 4.18 -0.01 3.68 2.47 -1.26 -4.92 114.94 119.96 3i6s s ASN 653 Ca 0.66 -0.37 0.05 0.00 0.42 0.00 0.00 52.86 53.63 3i6s s ASN 653 Cb -0.42 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 36.79 3i6s s ASN 653 CO 0.35 -3.69 -0.17 -0.47 -3.72 0.00 0.00 177.10 169.40 3i6s s TYR 654 N 13.79 2.61 -0.86 0.43 5.04 -1.26 -4.68 117.35 132.42 3i6s s TYR 654 Ca 0.84 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.25 3i6s s TYR 654 Cb -0.10 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.66 3i6s s TYR 654 CO 0.07 0.19 0.37 -0.35 -1.34 0.00 0.00 175.55 174.50 3i6s n PRO 655 N 2.01 0.65 -3.93 4.97 -0.04 -1.26 -4.76 135.00 132.64 3i6s n PRO 655 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 3i6s n PRO 655 Cb 0.52 -1.30 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 3i6s n PRO 655 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i6s s SER 656 N -0.15 -0.11 -0.02 3.54 1.04 -1.26 -4.33 113.70 112.40 3i6s s SER 656 Ca 0.00 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.63 3i6s s SER 656 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3i6s s SER 656 CO 0.00 -1.09 -0.06 -0.36 0.98 0.00 0.00 173.24 172.71 3i6s s PHE 657 N -3.98 0.69 -0.04 5.02 0.40 -0.51 -4.88 117.98 114.70 3i6s s PHE 657 Ca 0.18 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 3i6s s PHE 657 Cb -0.00 -0.54 0.00 0.00 0.51 0.00 0.00 43.02 42.99 3i6s s PHE 657 CO 0.05 -0.10 -0.12 -1.50 0.70 0.00 0.00 175.22 174.25 3i6s s ILE 658 N 0.37 1.00 -0.23 0.64 2.07 -1.26 -1.08 121.20 122.72 3i6s s ILE 658 Ca -0.05 -0.47 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 3i6s s ILE 658 Cb -0.09 -0.89 0.05 0.00 0.13 0.00 0.00 42.46 41.66 3i6s s ILE 658 CO 0.00 0.31 -0.14 0.00 -1.91 0.00 0.00 174.94 173.20 3i6s s ALA 659 N 0.23 2.44 0.07 1.50 0.00 0.40 -4.96 121.76 121.44 3i6s s ALA 659 Ca -0.05 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3i6s s ALA 659 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3i6s s ALA 659 CO 0.01 -0.91 0.21 -0.51 0.00 0.00 0.00 175.76 174.56 3i6s s LEU 660 N 1.19 4.32 -0.08 0.00 1.43 -1.26 -1.20 118.68 123.09 3i6s s LEU 660 Ca -0.04 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3i6s s LEU 660 Cb -0.18 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.16 3i6s s LEU 660 CO -0.08 0.16 0.17 -0.72 0.23 0.00 0.00 176.35 176.11 3i6s s TYR 661 N -1.52 -0.20 0.68 0.29 1.13 -0.33 -4.93 117.35 112.47 3i6s s TYR 661 Ca 0.35 0.59 -0.17 0.00 -1.41 0.00 0.00 57.07 56.43 3i6s s TYR 661 Cb -0.13 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.59 3i6s s TYR 661 CO 0.28 -0.23 1.10 0.45 -2.51 0.00 0.00 175.55 174.64 3i6s n SER 662 N 4.72 1.16 -0.06 -0.18 2.88 -1.26 -1.80 113.62 119.09 3i6s n SER 662 Ca -0.17 0.75 0.08 0.00 -1.33 0.00 0.00 58.87 58.20 3i6s n SER 662 Cb 0.51 -1.47 0.11 0.00 -0.75 0.00 0.00 64.21 62.61 3i6s n SER 662 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i6s n ILE 663 N -2.19 1.68 -2.67 2.46 -0.00 -1.26 -4.84 119.36 112.54 3i6s n ILE 663 Ca 0.14 -1.97 -0.43 0.00 -0.00 0.00 0.00 62.75 60.49 3i6s n ILE 663 Cb 0.49 -0.07 0.01 0.00 -0.00 0.00 0.00 39.64 40.06 3i6s n ILE 663 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3i6s n GLU 664 N -1.21 3.86 0.00 6.28 1.02 -1.26 -4.93 120.64 124.40 3i6s n GLU 664 Ca 0.12 -3.94 0.00 0.00 -0.02 0.00 0.00 57.16 53.33 3i6s n GLU 664 Cb 0.55 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 3i6s n GLU 664 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i6s n GLY 665 N 2.47 0.11 3.77 0.62 0.00 -1.26 -5.06 105.19 105.84 3i6s n GLY 665 Ca 0.34 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 3i6s n GLY 665 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i6s s ASN 666 N -4.00 6.88 -0.22 1.61 0.01 -1.26 -5.03 114.94 112.94 3i6s s ASN 666 Ca 0.00 2.18 -0.12 0.00 -0.71 0.00 0.00 52.86 54.21 3i6s s ASN 666 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3i6s s ASN 666 CO 0.00 -0.41 0.24 -0.36 -1.51 0.00 0.00 177.10 175.06 3i6s s PHE 667 N -1.43 3.36 0.00 2.20 0.40 -1.26 -5.02 117.98 116.23 3i6s s PHE 667 Ca 0.53 0.39 0.03 0.00 -0.60 0.00 0.00 56.93 57.28 3i6s s PHE 667 Cb -0.27 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 40.91 3i6s s PHE 667 CO 0.34 0.09 -0.10 -0.08 0.70 0.00 0.00 175.22 176.18 3i6s s THR 668 N 0.97 0.78 -0.33 0.64 -1.32 -1.26 -4.96 115.64 110.16 3i6s s THR 668 Ca 0.12 -0.53 -0.44 0.00 -1.21 0.00 0.00 61.69 59.62 3i6s s THR 668 Cb -0.13 -0.67 -0.20 0.00 -1.51 0.00 0.00 72.50 69.98 3i6s s THR 668 CO 0.04 0.14 1.43 -0.11 -2.21 0.00 0.00 174.62 173.91 3i6s n LEU 669 N 2.61 0.85 -4.55 9.08 -0.00 -1.26 -4.74 117.00 118.99 3i6s n LEU 669 Ca -0.15 1.18 -0.24 0.00 -0.00 0.00 0.00 56.01 56.80 3i6s n LEU 669 Cb 0.56 -0.90 -0.09 0.00 -0.00 0.00 0.00 43.42 42.99 3i6s n LEU 669 CO 0.24 -1.18 -0.41 -0.76 -0.00 0.00 0.00 177.39 175.29 3i6s s LEU 670 N 2.01 2.88 0.03 -1.96 1.43 0.26 -4.97 118.68 118.35 3i6s s LEU 670 Ca 1.00 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3i6s s LEU 670 Cb -1.41 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3i6s s LEU 670 CO 0.73 0.02 -0.05 -0.70 0.23 0.00 0.00 176.35 176.58 3i6s s GLU 671 N -3.58 0.41 -0.02 1.70 2.12 -1.26 -0.52 118.70 117.56 3i6s s GLU 671 Ca 0.31 -0.58 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 3i6s s GLU 671 Cb -0.06 -0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.16 3i6s s GLU 671 CO 0.17 0.03 0.09 -1.14 -0.54 0.00 0.00 175.26 173.87 3i6s s GLN 672 N -1.23 0.27 -0.08 4.30 2.00 -0.12 -5.00 119.66 119.81 3i6s s GLN 672 Ca -0.09 -0.15 0.02 0.00 -2.00 0.00 0.00 55.36 53.14 3i6s s GLN 672 Cb -0.08 0.11 0.01 0.00 0.80 0.00 0.00 33.01 33.85 3i6s s GLN 672 CO -0.00 -0.05 -0.15 0.15 -0.50 0.00 0.00 175.29 174.74 3i6s s LYS 673 N -0.66 2.01 -0.07 1.67 1.02 -1.26 -1.14 119.74 121.31 3i6s s LYS 673 Ca -0.07 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.45 3i6s s LYS 673 Cb -0.05 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 3i6s s LYS 673 CO 0.00 0.04 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.20 3i6s s PHE 674 N 0.66 2.55 -0.19 3.18 0.08 0.13 -4.97 117.98 119.41 3i6s s PHE 674 Ca -0.14 -0.64 -0.06 0.00 0.12 0.00 0.00 56.93 56.20 3i6s s PHE 674 Cb -0.16 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3i6s s PHE 674 CO 0.04 -0.17 0.03 0.21 -0.10 0.00 0.00 175.22 175.23 3i6s s LYS 675 N -0.14 3.79 0.03 0.44 2.20 -1.26 -0.67 119.74 124.14 3i6s s LYS 675 Ca -0.03 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 3i6s s LYS 675 Cb -0.14 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3i6s s LYS 675 CO 0.04 0.15 -0.14 1.03 -0.36 0.00 0.00 175.35 176.06 3i6s s ARG 676 N 0.68 0.95 -0.08 4.03 1.81 -0.58 -4.77 118.95 120.99 3i6s s ARG 676 Ca 0.01 -0.72 0.03 0.00 -1.72 0.00 0.00 55.73 53.34 3i6s s ARG 676 Cb -0.14 -0.95 -0.01 0.00 -0.45 0.00 0.00 34.95 33.40 3i6s s ARG 676 CO 0.02 0.24 -0.19 0.99 -0.68 0.00 0.00 175.30 175.68 3i6s s THR 677 N -0.79 2.57 -0.11 0.02 2.01 -1.26 -0.95 115.64 117.13 3i6s s THR 677 Ca 0.02 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3i6s s THR 677 Cb -0.08 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.45 3i6s s THR 677 CO 0.01 0.56 -0.10 0.54 -0.69 0.00 0.00 174.62 174.94 3i6s s VAL 678 N -0.08 1.20 -0.04 3.82 0.11 0.76 -4.30 120.40 121.87 3i6s s VAL 678 Ca -0.04 -0.42 -0.09 0.00 -2.93 0.00 0.00 61.98 58.50 3i6s s VAL 678 Cb -0.14 -1.16 -0.05 0.00 -1.53 0.00 0.00 36.38 33.50 3i6s s VAL 678 CO 0.04 0.39 0.25 0.28 -3.33 0.00 0.00 175.10 172.74 3i6s s THR 679 N 1.40 5.32 -0.38 5.04 -1.32 -0.64 -1.80 115.64 123.26 3i6s s THR 679 Ca 0.00 0.34 -0.25 0.00 -1.21 0.00 0.00 61.69 60.58 3i6s s THR 679 Cb -0.13 -3.54 0.01 0.00 -1.51 0.00 0.00 72.50 67.33 3i6s s THR 679 CO -0.06 0.51 0.86 0.21 -2.21 0.00 0.00 174.62 173.93 3i6s s ASN 680 N -1.30 6.60 0.00 8.08 2.47 -0.59 -1.63 114.94 128.57 3i6s s ASN 680 Ca 0.22 0.41 0.21 0.00 0.42 0.00 0.00 52.86 54.11 3i6s s ASN 680 Cb -0.14 -2.43 0.31 0.00 -1.45 0.00 0.00 41.25 37.55 3i6s s ASN 680 CO 0.11 -0.83 1.28 1.33 -3.72 0.00 0.00 177.10 175.27 3i6s n VAL 681 N 5.96 0.35 0.00 -5.21 0.24 0.68 -0.00 118.33 120.34 3i6s n VAL 681 Ca 0.05 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3i6s n VAL 681 Cb 0.48 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 3i6s n VAL 681 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i6s n GLY 682 N 1.27 -0.55 3.45 7.63 0.00 -0.97 -4.81 105.19 111.21 3i6s n GLY 682 Ca 0.16 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.60 3i6s n GLY 682 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6s n ALA 685 N -3.00 -3.59 -3.58 4.61 0.00 -1.25 -4.92 120.51 108.79 3i6s n ALA 685 Ca 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 53.44 53.97 3i6s n ALA 685 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 3i6s n ALA 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6s s ALA 686 N -0.04 -2.01 0.02 0.00 0.00 -0.38 -4.98 121.76 114.38 3i6s s ALA 686 Ca 0.89 1.41 0.04 0.00 0.00 0.00 0.00 51.96 54.29 3i6s s ALA 686 Cb -1.24 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3i6s s ALA 686 CO 0.56 -0.64 -0.11 0.95 0.00 0.00 0.00 175.76 176.52 3i6s s THR 687 N -2.60 0.86 -0.01 0.00 -4.23 -1.26 0.23 115.64 108.63 3i6s s THR 687 Ca 0.08 -0.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.92 3i6s s THR 687 Cb -0.01 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 3i6s s THR 687 CO -0.06 0.04 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.55 3i6s s TYR 688 N -0.64 1.84 -0.12 3.99 1.51 0.21 -2.05 117.35 122.10 3i6s s TYR 688 Ca 0.01 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3i6s s TYR 688 Cb -0.06 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3i6s s TYR 688 CO 0.00 -0.02 -0.04 0.15 -1.11 0.00 0.00 175.55 174.54 3i6s s LYS 689 N -0.55 3.30 -0.07 -0.62 1.02 -0.76 -0.70 119.74 121.36 3i6s s LYS 689 Ca 0.08 -0.50 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 3i6s s LYS 689 Cb -0.08 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 3i6s s LYS 689 CO -0.01 0.45 0.98 0.00 -0.92 0.00 0.00 175.35 175.85 3i6s s ALA 690 N -0.20 3.32 -0.14 5.17 0.00 -0.93 -1.94 121.76 127.03 3i6s s ALA 690 Ca 0.04 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 3i6s s ALA 690 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3i6s s ALA 690 CO 0.02 -0.45 0.05 0.21 0.00 0.00 0.00 175.76 175.59 3i6s s LYS 691 N 1.60 3.55 -0.04 0.00 2.20 0.53 -4.96 119.74 122.62 3i6s s LYS 691 Ca 0.49 -0.35 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 3i6s s LYS 691 Cb -0.19 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 3i6s s LYS 691 CO 0.21 0.49 -0.16 -0.51 -0.36 0.00 0.00 175.35 175.02 3i6s s LEU 692 N -0.25 2.64 -0.24 5.43 1.02 -1.26 -1.47 118.68 124.54 3i6s s LEU 692 Ca 0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 54.13 53.98 3i6s s LEU 692 Cb -0.12 -1.52 0.07 0.00 0.02 0.00 0.00 46.19 44.64 3i6s s LEU 692 CO 0.02 0.34 0.04 -0.75 0.02 0.00 0.00 176.35 176.02 3i6s s LYS 693 N -0.73 0.88 0.11 1.70 2.20 -0.80 -5.00 119.74 118.11 3i6s s LYS 693 Ca 0.11 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 3i6s s LYS 693 Cb -0.11 -2.18 -0.06 0.00 -1.51 0.00 0.00 37.83 33.98 3i6s s LYS 693 CO 0.00 -0.76 0.97 0.00 -0.36 0.00 0.00 175.35 175.21 3i6s s ALA 694 N 1.67 3.25 0.63 3.13 0.00 -1.26 -0.53 121.76 128.65 3i6s s ALA 694 Ca 0.02 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 3i6s s ALA 694 Cb -0.18 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 3i6s s ALA 694 CO -0.14 -0.05 0.50 -2.30 0.00 0.00 0.00 175.76 173.77 3i6s n PRO 695 N 2.84 0.43 -1.21 0.00 -0.02 -1.25 -4.76 135.00 131.03 3i6s n PRO 695 Ca 0.03 0.18 -0.36 0.00 -2.02 0.00 0.00 63.50 61.32 3i6s n PRO 695 Cb 0.49 -1.73 0.06 0.00 -0.02 0.00 0.00 33.50 32.30 3i6s n PRO 695 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i6s n LYS 696 N -0.24 0.21 -4.30 -0.52 4.81 -1.26 -2.66 118.16 114.20 3i6s n LYS 696 Ca 0.11 0.10 -0.32 0.00 -0.87 0.00 0.00 58.31 57.33 3i6s n LYS 696 Cb 0.48 -1.67 -0.08 0.00 0.02 0.00 0.00 35.03 33.78 3i6s n LYS 696 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i6s n ASN 697 N 0.28 0.19 -3.62 3.14 3.02 -1.26 -4.92 115.26 112.09 3i6s n ASN 697 Ca 0.09 -1.23 -0.06 0.00 -0.03 0.00 0.00 54.58 53.35 3i6s n ASN 697 Cb 0.50 -1.84 -0.02 0.00 -0.61 0.00 0.00 39.78 37.82 3i6s n ASN 697 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i6s s SER 698 N -4.17 -0.28 0.10 6.41 1.04 -1.09 -4.11 113.70 111.59 3i6s s SER 698 Ca 0.16 -0.20 0.08 0.00 0.48 0.00 0.00 55.95 56.47 3i6s s SER 698 Cb -0.09 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3i6s s SER 698 CO 0.99 -0.77 -0.20 0.42 0.98 0.00 0.00 173.24 174.66 3i6s s THR 699 N -3.22 1.62 0.07 2.02 -4.23 -0.06 -4.63 115.64 107.19 3i6s s THR 699 Ca 0.08 -1.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3i6s s THR 699 Cb -0.01 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 3i6s s THR 699 CO -0.04 -0.08 -0.07 0.27 -0.54 0.00 0.00 174.62 174.16 3i6s s ILE 700 N -1.17 0.58 -0.08 2.99 -4.36 -1.26 -0.17 121.20 117.73 3i6s s ILE 700 Ca 0.05 -1.48 -0.16 0.00 -0.26 0.00 0.00 60.65 58.79 3i6s s ILE 700 Cb -0.10 -1.11 0.04 0.00 1.25 0.00 0.00 42.46 42.53 3i6s s ILE 700 CO 0.04 -0.63 0.39 -0.94 0.24 0.00 0.00 174.94 174.04 3i6s s SER 701 N -2.28 -0.35 0.36 4.36 1.04 -0.19 -4.98 113.70 111.67 3i6s s SER 701 Ca 0.00 0.48 0.08 0.00 0.48 0.00 0.00 55.95 56.99 3i6s s SER 701 Cb -0.02 0.57 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 3i6s s SER 701 CO -0.02 -0.33 -0.06 0.54 0.98 0.00 0.00 173.24 174.35 3i6s s VAL 702 N -0.65 2.11 -0.29 5.02 0.11 -1.26 -0.54 120.40 124.90 3i6s s VAL 702 Ca -0.07 -2.13 -0.16 0.00 -2.93 0.00 0.00 61.98 56.69 3i6s s VAL 702 Cb -0.04 -2.76 0.14 0.00 -1.53 0.00 0.00 36.38 32.20 3i6s s VAL 702 CO 0.03 -0.13 0.94 -0.55 -3.33 0.00 0.00 175.10 172.06 3i6s s SER 703 N -3.63 -0.58 0.97 3.54 0.15 -0.83 -4.37 113.70 108.95 3i6s s SER 703 Ca 0.33 0.90 -0.12 0.00 0.70 0.00 0.00 55.95 57.77 3i6s s SER 703 Cb 0.05 1.33 0.18 0.00 -1.71 0.00 0.00 66.02 65.87 3i6s s SER 703 CO 0.17 -0.14 1.08 -2.16 1.20 0.00 0.00 173.24 173.39 3i6s s PRO 704 N 1.59 0.60 0.00 5.44 0.04 -1.26 -0.77 135.00 140.64 3i6s s PRO 704 Ca -0.08 0.90 0.29 0.00 0.04 0.00 0.00 61.00 62.15 3i6s s PRO 704 Cb -0.04 -1.73 1.20 0.00 0.04 0.00 0.00 34.50 33.97 3i6s s PRO 704 CO -0.16 -2.71 1.83 1.04 0.04 0.00 0.00 177.00 177.04 3i6s n GLN 705 N -4.22 1.54 -3.80 4.56 6.02 -1.26 -4.85 117.38 115.36 3i6s n GLN 705 Ca 0.07 -0.79 -0.13 0.00 -0.01 0.00 0.00 57.00 56.14 3i6s n GLN 705 Cb 0.55 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 30.21 3i6s n GLN 705 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i6s s ILE 706 N -2.01 0.01 -0.17 5.09 1.01 -1.26 -2.19 121.20 121.68 3i6s s ILE 706 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.98 3i6s s ILE 706 Cb 0.21 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.38 3i6s s ILE 706 CO 0.34 -0.04 -0.11 -0.76 0.00 0.00 0.00 174.94 174.38 3i6s s LEU 707 N -0.04 1.93 -0.13 2.97 1.43 0.12 -4.97 118.68 119.98 3i6s s LEU 707 Ca -0.02 -0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 3i6s s LEU 707 Cb -0.02 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 3i6s s LEU 707 CO 0.01 -0.12 0.13 -0.69 0.23 0.00 0.00 176.35 175.91 3i6s s VAL 708 N 1.47 5.43 -0.12 -1.59 1.01 -1.26 -0.62 120.40 124.72 3i6s s VAL 708 Ca 0.02 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3i6s s VAL 708 Cb -0.15 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.87 3i6s s VAL 708 CO -0.09 0.58 -0.11 -0.36 0.00 0.00 0.00 175.10 175.13 3i6s s PHE 709 N -0.75 1.71 0.09 5.22 0.08 0.14 -4.98 117.98 119.48 3i6s s PHE 709 Ca 0.13 -0.86 -0.14 0.00 0.12 0.00 0.00 56.93 56.18 3i6s s PHE 709 Cb -0.12 -1.33 -0.13 0.00 -0.57 0.00 0.00 43.02 40.87 3i6s s PHE 709 CO 0.03 -0.53 1.33 0.87 -0.10 0.00 0.00 175.22 176.82 3i6s h LYS 710 N 7.94 0.72 -2.07 0.44 1.57 -1.95 -1.00 116.57 122.21 3i6s h LYS 710 Ca -0.32 -0.51 0.21 0.00 -1.87 0.00 0.00 60.65 58.16 3i6s h LYS 710 Cb 1.14 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.43 3i6s h LYS 710 CO 0.45 1.13 0.58 0.54 -0.57 0.00 0.00 179.45 181.59 3i6s s ASN 711 N -6.83 -0.16 0.29 0.86 2.20 -1.26 -3.75 114.94 106.28 3i6s s ASN 711 Ca -0.12 -0.28 -0.25 0.00 -0.94 0.00 0.00 52.86 51.27 3i6s s ASN 711 Cb 0.08 0.38 -0.16 0.00 -2.00 0.00 0.00 41.25 39.55 3i6s s ASN 711 CO 0.86 -0.70 0.33 1.17 -2.94 0.00 0.00 177.10 175.83 3i6s n LYS 712 N -0.44 0.00 0.00 3.55 4.81 -1.26 -2.09 118.16 122.73 3i6s n LYS 712 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 3i6s n LYS 712 Cb 0.61 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.66 3i6s n LYS 712 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3i6s n ASN 713 N 2.14 0.00 -4.68 3.14 3.02 0.99 -4.98 115.26 114.91 3i6s n ASN 713 Ca 0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 3i6s n ASN 713 Cb 0.31 -0.14 0.01 0.00 -0.61 0.00 0.00 39.78 39.36 3i6s n ASN 713 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3i6s n GLU 714 N -1.96 1.77 -4.33 3.52 2.13 -0.89 -4.55 120.64 116.33 3i6s n GLU 714 Ca 0.00 0.63 -0.31 0.00 0.66 0.00 0.00 57.16 58.14 3i6s n GLU 714 Cb 0.00 -2.29 -0.10 0.00 0.27 0.00 0.00 31.44 29.33 3i6s n GLU 714 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i6s s LYS 715 N -2.15 2.46 -0.03 5.31 1.02 -1.26 -1.53 119.74 123.56 3i6s s LYS 715 Ca 0.61 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.77 3i6s s LYS 715 Cb -0.53 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3i6s s LYS 715 CO 0.58 0.57 0.08 -1.14 -0.92 0.00 0.00 175.35 174.51 3i6s s GLN 716 N -1.78 0.08 0.31 1.68 2.00 -0.74 -4.99 119.66 116.22 3i6s s GLN 716 Ca 0.20 0.12 0.09 0.00 -2.00 0.00 0.00 55.36 53.76 3i6s s GLN 716 Cb -0.11 0.02 -0.04 0.00 0.80 0.00 0.00 33.01 33.68 3i6s s GLN 716 CO 0.11 -0.02 0.08 -1.12 -0.50 0.00 0.00 175.29 173.84 3i6s s SER 717 N 0.12 4.65 0.31 6.67 0.01 -1.26 -0.17 113.70 124.02 3i6s s SER 717 Ca -0.01 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 56.37 3i6s s SER 717 Cb -0.01 -0.80 0.02 0.00 0.21 0.00 0.00 66.02 65.44 3i6s s SER 717 CO -0.00 -0.17 0.69 -0.72 0.41 0.00 0.00 173.24 173.45 3i6s s TYR 718 N -2.38 0.03 -0.06 2.43 1.13 -0.13 -4.63 117.35 113.76 3i6s s TYR 718 Ca 0.35 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 3i6s s TYR 718 Cb -0.04 0.63 0.02 0.00 -1.10 0.00 0.00 41.96 41.47 3i6s s TYR 718 CO 0.22 -1.28 -0.04 0.99 -2.51 0.00 0.00 175.55 172.92 3i6s s THR 719 N -3.48 0.60 -0.09 -3.49 2.01 0.05 -1.53 115.64 109.71 3i6s s THR 719 Ca 0.15 -0.12 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 3i6s s THR 719 Cb -0.05 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 3i6s s THR 719 CO 0.09 0.26 0.16 -0.22 -0.69 0.00 0.00 174.62 174.22 3i6s s LEU 720 N 1.19 4.39 -0.06 4.42 2.96 0.15 -1.96 118.68 129.78 3i6s s LEU 720 Ca -0.06 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 3i6s s LEU 720 Cb -0.14 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.36 3i6s s LEU 720 CO -0.02 0.37 -0.04 0.28 -1.32 0.00 0.00 176.35 175.63 3i6s s THR 721 N -1.10 0.55 -0.06 3.68 -1.32 0.30 0.18 115.64 117.87 3i6s s THR 721 Ca 0.18 -0.09 0.03 0.00 -1.21 0.00 0.00 61.69 60.60 3i6s s THR 721 Cb -0.12 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.24 3i6s s THR 721 CO 0.08 0.25 -0.14 -0.63 -2.21 0.00 0.00 174.62 171.96 3i6s s ILE 722 N 1.20 3.09 -0.19 5.08 1.09 -0.29 -1.02 121.20 130.16 3i6s s ILE 722 Ca -0.07 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.79 3i6s s ILE 722 Cb -0.14 -2.22 0.03 0.00 -1.06 0.00 0.00 42.46 39.06 3i6s s ILE 722 CO -0.02 0.58 -0.18 -0.13 -0.10 0.00 0.00 174.94 175.09 3i6s s ARG 723 N -0.58 2.88 0.23 2.79 0.52 0.76 -0.94 118.95 124.61 3i6s s ARG 723 Ca 0.08 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 3i6s s ARG 723 Cb -0.11 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 3i6s s ARG 723 CO 0.01 -0.27 0.31 1.52 0.02 0.00 0.00 175.30 176.90 3i6s s TYR 724 N 1.26 0.79 -0.05 -0.53 1.13 0.32 -0.89 117.35 119.39 3i6s s TYR 724 Ca 0.03 -1.07 -0.05 0.00 -1.41 0.00 0.00 57.07 54.57 3i6s s TYR 724 Cb -0.14 -0.19 0.02 0.00 -1.10 0.00 0.00 41.96 40.55 3i6s s TYR 724 CO -0.12 -0.83 0.14 -1.50 -2.51 0.00 0.00 175.55 170.73 3i6s s ILE 725 N -4.03 -0.00 0.43 -3.49 2.07 -1.26 0.89 121.20 115.80 3i6s s ILE 725 Ca 0.31 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 3i6s s ILE 725 Cb 0.03 -0.21 0.09 0.00 0.13 0.00 0.00 42.46 42.50 3i6s s ILE 725 CO 0.11 0.01 0.59 0.61 -1.91 0.00 0.00 174.94 174.34 3i6s n GLY 726 N 3.11 0.49 2.17 1.50 0.00 -1.26 -5.01 105.19 106.19 3i6s n GLY 726 Ca -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3i6s n GLY 726 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i6s n ASP 727 N -3.00 -3.06 0.00 1.61 5.68 -1.26 -4.89 116.55 111.62 3i6s n ASP 727 Ca 0.09 0.74 0.00 0.00 -0.50 0.00 0.00 54.79 55.13 3i6s n ASP 727 Cb 0.33 2.92 0.00 0.00 -1.14 0.00 0.00 41.12 43.24 3i6s n ASP 727 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3i6s n SER 731 N -3.36 0.00 -3.99 -1.12 2.88 -1.26 -5.11 113.62 101.65 3i6s n SER 731 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 3i6s n SER 731 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 3i6s n SER 731 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3i6s s ARG 732 N -2.87 1.58 0.25 -1.46 3.00 -1.26 -4.53 118.95 113.67 3i6s s ARG 732 Ca 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 55.73 54.10 3i6s s ARG 732 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 34.95 31.96 3i6s s ARG 732 CO 0.00 -0.82 0.53 -0.80 0.00 0.00 0.00 175.30 174.21 3i6s s ASN 733 N 1.08 6.51 0.11 0.23 0.01 -1.22 -4.84 114.94 116.82 3i6s s ASN 733 Ca 0.04 0.77 0.07 0.00 -0.71 0.00 0.00 52.86 53.04 3i6s s ASN 733 Cb -0.19 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 3i6s s ASN 733 CO -0.09 -0.13 -0.18 0.54 -1.51 0.00 0.00 177.10 175.73 3i6s s VAL 734 N -1.95 1.53 0.00 1.60 0.11 -1.26 -1.33 120.40 119.10 3i6s s VAL 734 Ca 0.45 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 3i6s s VAL 734 Cb -0.11 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 3i6s s VAL 734 CO 0.26 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 3i6s n GLY 735 N 0.91 2.89 3.83 6.54 0.00 -0.18 -3.82 105.19 115.36 3i6s n GLY 735 Ca -0.18 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 3i6s n GLY 735 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6s s SER 736 N 0.80 -0.06 -0.05 1.61 1.04 0.32 -0.37 113.70 116.98 3i6s s SER 736 Ca 0.00 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 3i6s s SER 736 Cb 0.00 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.76 3i6s s SER 736 CO 0.00 -1.18 0.08 -0.51 0.98 0.00 0.00 173.24 172.61 3i6s s ILE 737 N -2.63 -0.13 -0.13 -1.02 2.07 0.11 -1.90 121.20 117.57 3i6s s ILE 737 Ca 0.17 0.35 0.01 0.00 -1.41 0.00 0.00 60.65 59.77 3i6s s ILE 737 Cb -0.03 -0.18 -0.00 0.00 0.13 0.00 0.00 42.46 42.38 3i6s s ILE 737 CO 0.06 0.15 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.17 3i6s s THR 738 N 1.90 2.57 -0.62 4.00 2.01 -0.54 -1.15 115.64 123.80 3i6s s THR 738 Ca 0.01 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 60.99 3i6s s THR 738 Cb -0.12 -2.05 0.10 0.00 0.01 0.00 0.00 72.50 70.44 3i6s s THR 738 CO -0.04 0.53 0.76 0.26 -0.69 0.00 0.00 174.62 175.45 3i6s s TRP 739 N 0.52 2.98 -0.17 4.92 0.51 0.64 -0.34 118.94 127.99 3i6s s TRP 739 Ca -0.11 -0.95 -0.17 0.00 -2.12 0.00 0.00 56.10 52.74 3i6s s TRP 739 Cb -0.16 -4.06 -0.04 0.00 -0.81 0.00 0.00 33.47 28.39 3i6s s TRP 739 CO 0.04 -1.35 0.43 0.54 -0.51 0.00 0.00 176.95 176.11 3i6s s VAL 740 N 2.82 5.19 0.18 4.03 0.11 -0.82 -1.47 120.40 130.44 3i6s s VAL 740 Ca 0.14 0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 59.70 3i6s s VAL 740 Cb -0.22 -3.77 -0.09 0.00 -1.53 0.00 0.00 36.38 30.78 3i6s s VAL 740 CO 0.06 0.28 1.34 -0.70 -3.33 0.00 0.00 175.10 172.75 3i6s s GLU 741 N 1.06 4.36 -0.03 1.54 2.12 -0.20 -1.83 118.70 125.72 3i6s s GLU 741 Ca 0.22 2.08 -0.22 0.00 0.36 0.00 0.00 54.97 57.42 3i6s s GLU 741 Cb -0.15 -3.20 -0.27 0.00 0.26 0.00 0.00 34.13 30.78 3i6s s GLU 741 CO 0.08 -0.32 1.00 1.96 -0.54 0.00 0.00 175.26 177.44 3i6s h GLN 742 N 5.74 0.32 -1.39 4.30 1.08 -1.76 -3.33 115.11 120.07 3i6s h GLN 742 Ca -0.44 -0.42 -0.69 0.00 -1.45 0.00 0.00 58.65 55.65 3i6s h GLN 742 Cb 1.21 0.14 -0.32 0.00 -0.05 0.00 0.00 27.48 28.46 3i6s h GLN 742 CO 0.80 1.13 0.54 0.09 -0.95 0.00 0.00 178.83 180.44 3i6s n ASN 743 N -4.23 6.95 -2.30 1.46 3.02 -1.26 -4.98 115.26 113.92 3i6s n ASN 743 Ca -0.12 -3.79 0.01 0.00 -0.03 0.00 0.00 54.58 50.65 3i6s n ASN 743 Cb 0.70 -0.87 0.01 0.00 -0.61 0.00 0.00 39.78 39.01 3i6s n ASN 743 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i6s n GLY 744 N -0.70 0.44 0.58 7.41 0.00 -1.25 -5.05 105.19 106.60 3i6s n GLY 744 Ca 0.54 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.70 3i6s n GLY 744 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i6s n ASN 745 N -0.57 2.62 -4.78 1.61 3.02 -1.26 -4.63 115.26 111.27 3i6s n ASN 745 Ca 0.02 -3.36 -0.38 0.00 -0.03 0.00 0.00 54.58 50.83 3i6s n ASN 745 Cb 0.26 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 3i6s n ASN 745 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i6s s HIS 746 N -3.01 3.82 -0.24 3.10 3.76 -1.26 -4.95 115.29 116.51 3i6s s HIS 746 Ca 0.38 1.67 -0.04 0.00 -0.15 0.00 0.00 55.06 56.93 3i6s s HIS 746 Cb 0.34 -2.81 0.09 0.00 1.11 0.00 0.00 32.58 31.31 3i6s s HIS 746 CO 0.02 0.40 0.16 0.45 -0.85 0.00 0.00 174.74 174.92 3i6s s SER 747 N -1.36 2.49 -0.50 1.40 0.15 -1.26 -1.04 113.70 113.58 3i6s s SER 747 Ca 0.41 -0.81 -0.18 0.00 0.70 0.00 0.00 55.95 56.08 3i6s s SER 747 Cb -0.21 -0.04 0.07 0.00 -1.71 0.00 0.00 66.02 64.13 3i6s s SER 747 CO 0.26 -0.39 0.55 -0.69 1.20 0.00 0.00 173.24 174.17 3i6s s VAL 748 N 2.20 5.01 -0.11 4.45 1.01 -0.54 -4.73 120.40 127.69 3i6s s VAL 748 Ca 0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3i6s s VAL 748 Cb -0.16 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3i6s s VAL 748 CO -0.24 -0.75 0.02 -0.60 0.00 0.00 0.00 175.10 173.53 3i6s s ARG 749 N 2.24 3.20 -0.06 2.72 3.52 -0.69 -0.26 118.95 129.62 3i6s s ARG 749 Ca 0.10 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 3i6s s ARG 749 Cb -0.22 -2.89 0.02 0.00 -1.56 0.00 0.00 34.95 30.30 3i6s s ARG 749 CO 0.09 0.63 -0.04 -1.12 -0.81 0.00 0.00 175.30 174.05 3i6s s SER 750 N -0.66 1.35 0.63 -2.12 0.01 -0.30 -3.84 113.70 108.76 3i6s s SER 750 Ca 0.11 -0.14 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 3i6s s SER 750 Cb -0.12 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 3i6s s SER 750 CO 0.02 -0.10 1.04 -2.16 0.41 0.00 0.00 173.24 172.45 3i6s s PRO 751 N 1.35 3.35 -0.03 12.44 0.04 -1.26 -0.71 135.00 150.18 3i6s s PRO 751 Ca -0.04 0.96 0.02 0.00 0.04 0.00 0.00 61.00 61.98 3i6s s PRO 751 Cb -0.13 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3i6s s PRO 751 CO -0.03 -0.77 -0.09 0.42 0.04 0.00 0.00 177.00 176.58 3i6s s ILE 752 N -2.88 0.75 -0.06 0.56 1.01 0.50 -1.42 121.20 119.67 3i6s s ILE 752 Ca 0.59 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 3i6s s ILE 752 Cb -0.13 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.69 3i6s s ILE 752 CO 0.47 0.24 0.14 0.54 0.00 0.00 0.00 174.94 176.33 3i6s s VAL 753 N 0.24 -0.02 0.22 2.92 0.11 -0.24 -1.01 120.40 122.63 3i6s s VAL 753 Ca -0.04 0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 3i6s s VAL 753 Cb -0.09 -0.22 -0.06 0.00 -1.53 0.00 0.00 36.38 34.49 3i6s s VAL 753 CO 0.00 0.03 0.49 0.42 -3.33 0.00 0.00 175.10 172.71 3i6s s THR 754 N 0.58 5.06 -0.12 5.04 -4.23 -0.44 -0.45 115.64 121.08 3i6s s THR 754 Ca -0.04 0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.34 3i6s s THR 754 Cb -0.06 -3.67 0.06 0.00 1.34 0.00 0.00 72.50 70.18 3i6s s THR 754 CO -0.03 -0.13 0.62 -0.55 -0.54 0.00 0.00 174.62 173.99 3i6s s SER 755 N -2.72 -0.61 0.82 3.99 0.15 -0.34 -3.46 113.70 111.53 3i6s s SER 755 Ca 0.44 0.85 -0.11 0.00 0.70 0.00 0.00 55.95 57.83 3i6s s SER 755 Cb -0.11 0.80 0.09 0.00 -1.71 0.00 0.00 66.02 65.08 3i6s s SER 755 CO 0.26 -0.45 1.12 -2.84 1.20 0.00 0.00 173.24 172.53 3i6s s PRO 756 N -0.65 1.82 -0.41 5.44 0.02 -1.26 -1.18 135.00 138.77 3i6s s PRO 756 Ca -0.07 1.36 -0.20 0.00 0.02 0.00 0.00 61.00 62.11 3i6s s PRO 756 Cb -0.02 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.68 3i6s s PRO 756 CO 0.06 -2.00 0.59 0.42 -0.33 0.00 0.00 177.00 175.74 3i6s s ILE 757 N -2.72 4.90 0.36 2.83 1.01 -0.74 -4.64 121.20 122.20 3i6s s ILE 757 Ca 0.64 0.15 0.08 0.00 0.00 0.00 0.00 60.65 61.51 3i6s s ILE 757 Cb -0.20 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 3i6s s ILE 757 CO 0.55 -0.48 0.32 0.27 0.00 0.00 0.00 174.94 175.61 3i6s s ILE 758 N 2.64 3.28 -0.20 2.92 -4.36 -1.26 -4.63 121.20 119.59 3i6s s ILE 758 Ca 0.21 -1.35 -0.38 0.00 -0.26 0.00 0.00 60.65 58.86 3i6s s ILE 758 Cb -0.15 -3.13 -0.15 0.00 1.25 0.00 0.00 42.46 40.29 3i6s s ILE 758 CO 0.17 -0.12 1.76 -0.62 0.24 0.00 0.00 174.94 176.37 3i6s n GLU 759 N -1.43 1.46 -3.30 0.37 -0.58 -1.26 -4.97 120.64 110.92 3i6s n GLU 759 Ca -0.00 0.53 -0.23 0.00 -0.42 0.00 0.00 57.16 57.04 3i6s n GLU 759 Cb 0.60 -2.26 -0.00 0.00 -0.57 0.00 0.00 31.44 29.21 3i6s n GLU 759 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3i6s s VAL 760 N 3.49 4.64 -2.29 2.62 1.01 -1.26 -4.85 120.40 123.75 3i6s s VAL 760 Ca 0.96 -0.57 0.30 0.00 0.00 0.00 0.00 61.98 62.66 3i6s s VAL 760 Cb -0.95 -3.69 0.70 0.00 0.00 0.00 0.00 36.38 32.44 3i6s s VAL 760 CO 0.60 -0.42 1.94 0.79 0.00 0.00 0.00 175.10 178.01