#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iiq s TYR 81 N 0.00 3.03 -0.09 9.51 1.51 -1.26 -2.33 117.35 127.71 3iiq s TYR 81 Ca 0.00 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3iiq s TYR 81 Cb 0.00 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 3iiq s TYR 81 CO 0.00 0.42 -0.10 -2.00 -1.11 0.00 0.00 175.55 172.76 3iiq s GLU 82 N -1.27 1.65 0.33 -0.62 2.12 -0.40 -4.93 118.70 115.57 3iiq s GLU 82 Ca 0.17 -0.35 -0.22 0.00 0.36 0.00 0.00 54.97 54.93 3iiq s GLU 82 Cb -0.11 -1.52 -0.10 0.00 0.26 0.00 0.00 34.13 32.66 3iiq s GLU 82 CO 0.07 -0.12 0.87 -1.25 -0.54 0.00 0.00 175.26 174.29 3iiq s PRO 83 N 1.18 4.35 0.01 4.30 0.04 -1.26 -0.58 135.00 143.05 3iiq s PRO 83 Ca -0.05 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3iiq s PRO 83 Cb -0.14 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 3iiq s PRO 83 CO -0.02 0.22 -0.02 -0.06 0.04 0.00 0.00 177.00 177.15 3iiq s PHE 84 N -1.77 0.21 0.17 0.56 0.40 -0.02 -4.97 117.98 112.56 3iiq s PHE 84 Ca 0.52 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 3iiq s PHE 84 Cb -0.15 -0.15 -0.06 0.00 0.51 0.00 0.00 43.02 43.18 3iiq s PHE 84 CO 0.20 -0.12 0.42 1.14 0.70 0.00 0.00 175.22 177.56 3iiq s GLN 85 N -0.95 3.66 -0.59 0.44 -2.07 -1.26 -0.62 119.66 118.26 3iiq s GLN 85 Ca -0.10 -0.01 -0.11 0.00 -1.82 0.00 0.00 55.36 53.32 3iiq s GLN 85 Cb -0.06 -2.80 0.15 0.00 -1.09 0.00 0.00 33.01 29.21 3iiq s GLN 85 CO -0.01 0.43 0.49 0.42 -1.32 0.00 0.00 175.29 175.31 3iiq s ILE 86 N -1.71 4.72 -0.47 3.63 -1.09 0.05 -4.95 121.20 121.38 3iiq s ILE 86 Ca 0.42 -2.04 0.24 0.00 -2.23 0.00 0.00 60.65 57.05 3iiq s ILE 86 Cb -0.12 -4.03 0.25 0.00 -1.58 0.00 0.00 42.46 36.98 3iiq s ILE 86 CO 0.24 -0.87 1.52 1.55 -1.23 0.00 0.00 174.94 176.14 3iiq h PRO 87 N 8.21 0.00 -5.28 2.79 0.13 -1.90 -1.18 132.00 134.77 3iiq h PRO 87 Ca -0.13 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.40 3iiq h PRO 87 Cb 1.06 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.05 3iiq h PRO 87 CO 0.86 0.00 -0.55 -1.54 -0.23 0.00 0.00 178.00 176.53 3iiq s SER 88 N -5.58 3.41 0.00 1.44 1.04 -1.26 -4.60 113.70 108.15 3iiq s SER 88 Ca 0.06 -1.53 0.22 0.00 0.48 0.00 0.00 55.95 55.18 3iiq s SER 88 Cb 0.08 0.17 0.53 0.00 0.10 0.00 0.00 66.02 66.90 3iiq s SER 88 CO 0.68 -0.72 1.46 0.61 0.98 0.00 0.00 173.24 176.25 3iiq n GLY 89 N -1.00 1.79 0.36 7.32 0.00 -1.26 -4.01 105.19 108.39 3iiq n GLY 89 Ca -0.09 -0.71 0.18 0.00 0.00 0.00 0.00 46.02 45.40 3iiq n GLY 89 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iiq h SER 90 N 4.02 0.00 -0.33 1.61 4.64 -1.90 -1.84 113.55 119.76 3iiq h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iiq h SER 90 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3iiq h SER 90 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 3iiq n MET 91 N -3.47 3.20 -2.02 4.77 2.81 -1.26 -1.30 117.12 119.85 3iiq n MET 91 Ca 0.03 -2.77 -0.36 0.00 -1.81 0.00 0.00 57.70 52.79 3iiq n MET 91 Cb 0.45 -1.82 0.03 0.00 -0.71 0.00 0.00 33.22 31.18 3iiq n MET 91 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3iiq s MET 92 N -2.51 2.99 0.00 0.03 -1.94 -0.69 -1.64 119.30 115.54 3iiq s MET 92 Ca 0.41 1.79 0.29 0.00 -1.71 0.00 0.00 55.69 56.47 3iiq s MET 92 Cb 0.32 -1.94 1.30 0.00 2.01 0.00 0.00 34.83 36.52 3iiq s MET 92 CO 0.11 -1.18 1.90 -0.35 -0.01 0.00 0.00 175.02 175.50 3iiq n PRO 93 N -1.61 0.76 -0.17 2.03 -0.04 -1.26 -2.73 135.00 131.97 3iiq n PRO 93 Ca 0.13 -0.24 -0.08 0.00 -0.04 0.00 0.00 63.50 63.28 3iiq n PRO 93 Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3iiq n PRO 93 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3iiq h THR 94 N 0.58 1.19 -4.07 0.52 2.02 -1.66 -3.41 112.91 108.07 3iiq h THR 94 Ca 0.00 -0.51 -0.50 0.00 0.77 0.00 0.00 66.41 66.17 3iiq h THR 94 Cb 0.33 0.61 -0.30 0.00 -1.74 0.00 0.00 68.15 67.04 3iiq h THR 94 CO 0.00 0.20 -0.82 -0.76 0.37 0.00 0.00 175.52 174.52 3iiq s LEU 95 N -9.91 1.96 0.15 2.58 1.02 -0.65 -4.78 118.68 109.05 3iiq s LEU 95 Ca -0.13 -0.27 0.08 0.00 0.02 0.00 0.00 54.13 53.83 3iiq s LEU 95 Cb 0.12 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.51 3iiq s LEU 95 CO 0.76 0.15 -0.11 -0.76 0.02 0.00 0.00 176.35 176.42 3iiq s LEU 96 N -0.15 2.96 0.11 1.79 1.43 -1.26 -2.95 118.68 120.60 3iiq s LEU 96 Ca 0.02 -0.52 -0.35 0.00 -1.03 0.00 0.00 54.13 52.25 3iiq s LEU 96 Cb -0.08 -1.70 -0.14 0.00 0.03 0.00 0.00 46.19 44.30 3iiq s LEU 96 CO 0.00 0.13 1.55 -0.38 0.23 0.00 0.00 176.35 177.89 3iiq n ILE 97 N 0.33 0.06 -0.05 -0.59 5.41 -1.26 -1.67 119.36 121.59 3iiq n ILE 97 Ca -0.12 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.62 3iiq n ILE 97 Cb 0.54 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.08 3iiq n ILE 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iiq n GLY 98 N 3.32 0.42 3.77 7.39 0.00 -0.45 -4.38 105.19 115.26 3iiq n GLY 98 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3iiq n GLY 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iiq s ASP 99 N -2.58 6.35 -0.24 1.61 -0.00 -0.67 -1.21 116.67 119.93 3iiq s ASP 99 Ca 0.00 2.70 0.03 0.00 -0.00 0.00 0.00 52.55 55.28 3iiq s ASP 99 Cb 0.00 -2.64 0.05 0.00 -0.00 0.00 0.00 42.92 40.33 3iiq s ASP 99 CO 0.00 -0.83 -0.13 -0.36 -0.00 0.00 0.00 175.17 173.85 3iiq s PHE 100 N -1.23 3.15 0.28 4.23 0.40 0.85 -0.77 117.98 124.89 3iiq s PHE 100 Ca 0.56 -2.17 0.06 0.00 -0.60 0.00 0.00 56.93 54.78 3iiq s PHE 100 Cb -0.39 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 3iiq s PHE 100 CO 0.51 -0.86 0.35 0.96 0.70 0.00 0.00 175.22 176.87 3iiq s ILE 101 N 1.14 4.54 -0.14 0.64 -4.36 0.20 -0.17 121.20 123.07 3iiq s ILE 101 Ca -0.06 -1.13 -0.02 0.00 -0.26 0.00 0.00 60.65 59.19 3iiq s ILE 101 Cb -0.18 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 39.95 3iiq s ILE 101 CO -0.07 -0.27 -0.08 -0.76 0.24 0.00 0.00 174.94 174.01 3iiq s LEU 102 N -4.01 3.03 -0.16 0.37 1.02 0.29 -0.84 118.68 118.38 3iiq s LEU 102 Ca 0.38 -0.20 -0.06 0.00 0.02 0.00 0.00 54.13 54.27 3iiq s LEU 102 Cb -0.08 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 3iiq s LEU 102 CO 0.28 0.18 0.03 -0.69 0.02 0.00 0.00 176.35 176.18 3iiq s VAL 103 N 0.25 4.49 -0.36 -1.59 1.01 0.26 -1.49 120.40 122.97 3iiq s VAL 103 Ca -0.06 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 3iiq s VAL 103 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3iiq s VAL 103 CO 0.04 0.49 0.56 -0.70 0.00 0.00 0.00 175.10 175.49 3iiq s GLU 104 N 0.19 3.59 0.21 2.72 2.12 0.29 -1.28 118.70 126.55 3iiq s GLU 104 Ca 0.02 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 3iiq s GLU 104 Cb -0.13 -3.83 -0.09 0.00 0.26 0.00 0.00 34.13 30.35 3iiq s GLU 104 CO 0.01 -0.71 1.30 0.15 -0.54 0.00 0.00 175.26 175.47 3iiq s LYS 105 N 2.53 4.39 0.00 4.30 1.02 -0.99 -1.54 119.74 129.45 3iiq s LYS 105 Ca 0.21 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.25 3iiq s LYS 105 Cb -0.15 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 3iiq s LYS 105 CO 0.14 -0.24 0.00 1.19 -0.92 0.00 0.00 175.35 175.53 3iiq n PHE 106 N 2.50 0.00 0.00 3.18 3.72 -1.08 -4.79 117.46 120.99 3iiq n PHE 106 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3iiq n PHE 106 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3iiq n PHE 106 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3iiq n THR 122 N 0.00 0.00 -0.00 4.37 -2.24 -1.26 -5.06 114.28 110.09 3iiq n THR 122 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3iiq n THR 122 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3iiq n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iiq n GLY 123 N 0.00 -4.24 3.52 3.38 0.00 -1.26 -5.16 105.19 101.43 3iiq n GLY 123 Ca 0.00 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 3iiq n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iiq s HIS 124 N -0.96 -0.66 0.45 1.61 3.76 -1.26 -5.15 115.29 113.09 3iiq s HIS 124 Ca 0.00 1.46 -0.24 0.00 -0.15 0.00 0.00 55.06 56.13 3iiq s HIS 124 Cb 0.00 0.28 -0.07 0.00 1.11 0.00 0.00 32.58 33.90 3iiq s HIS 124 CO 0.00 -0.43 1.24 -2.14 -0.85 0.00 0.00 174.74 172.56 3iiq s PRO 125 N -0.23 3.73 0.41 8.40 0.02 -1.26 -5.04 135.00 141.05 3iiq s PRO 125 Ca -0.04 1.97 -0.05 0.00 0.02 0.00 0.00 61.00 62.89 3iiq s PRO 125 Cb -0.03 -2.50 -0.04 0.00 0.02 0.00 0.00 34.50 31.94 3iiq s PRO 125 CO 0.04 -0.63 0.71 0.15 -0.33 0.00 0.00 177.00 176.94 3iiq s LYS 126 N -2.57 3.60 0.20 5.54 1.02 -1.26 -5.02 119.74 121.25 3iiq s LYS 126 Ca 0.62 0.14 -0.32 0.00 0.02 0.00 0.00 55.97 56.43 3iiq s LYS 126 Cb -0.33 -2.47 -0.13 0.00 -0.52 0.00 0.00 37.83 34.38 3iiq s LYS 126 CO 0.41 -0.05 1.62 -2.13 -0.92 0.00 0.00 175.35 174.28 3iiq n ARG 127 N -1.78 2.44 0.00 1.68 0.63 -1.26 -1.96 116.66 116.41 3iiq n ARG 127 Ca -0.00 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 3iiq n ARG 127 Cb 0.55 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.79 3iiq n ARG 127 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iiq n GLY 128 N 3.34 0.84 3.75 5.14 0.00 0.98 -4.91 105.19 114.34 3iiq n GLY 128 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3iiq n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iiq s ASP 129 N -2.45 6.39 -0.20 1.61 1.11 -0.83 -4.71 116.67 117.60 3iiq s ASP 129 Ca 0.00 2.94 -0.29 0.00 0.18 0.00 0.00 52.55 55.38 3iiq s ASP 129 Cb 0.00 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.36 3iiq s ASP 129 CO 0.00 -0.90 1.05 -0.63 1.18 0.00 0.00 175.17 175.87 3iiq s ILE 130 N -0.07 4.67 -0.05 0.77 1.01 -1.26 -0.48 121.20 125.79 3iiq s ILE 130 Ca 0.62 2.00 0.02 0.00 0.00 0.00 0.00 60.65 63.30 3iiq s ILE 130 Cb -0.47 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.71 3iiq s ILE 130 CO 0.48 -0.14 -0.12 -0.69 0.00 0.00 0.00 174.94 174.48 3iiq s VAL 131 N 2.99 1.05 -0.01 2.92 1.01 0.12 -0.83 120.40 127.64 3iiq s VAL 131 Ca 0.45 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 3iiq s VAL 131 Cb -0.16 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3iiq s VAL 131 CO 0.09 0.33 0.56 -0.69 0.00 0.00 0.00 175.10 175.38 3iiq s VAL 132 N 0.49 4.94 0.08 2.92 1.01 -0.42 -1.67 120.40 127.75 3iiq s VAL 132 Ca -0.10 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.94 3iiq s VAL 132 Cb -0.14 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3iiq s VAL 132 CO 0.02 0.44 0.23 0.72 0.00 0.00 0.00 175.10 176.51 3iiq s PHE 133 N -0.26 0.06 -0.05 5.22 -0.71 0.04 -1.05 117.98 121.22 3iiq s PHE 133 Ca 0.29 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.49 3iiq s PHE 133 Cb -0.18 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 3iiq s PHE 133 CO 0.16 -0.53 1.38 0.15 -1.34 0.00 0.00 175.22 175.04 3iiq s LYS 134 N -3.40 4.27 -0.20 1.99 -0.14 0.90 -0.07 119.74 123.09 3iiq s LYS 134 Ca 0.01 1.89 -0.32 0.00 -1.36 0.00 0.00 55.97 56.19 3iiq s LYS 134 Cb 0.03 -3.68 -0.09 0.00 -1.68 0.00 0.00 37.83 32.41 3iiq s LYS 134 CO -0.09 -0.63 2.09 0.98 -0.76 0.00 0.00 175.35 176.94 3iiq n TYR 135 N 5.90 2.02 -0.26 3.18 9.36 -0.21 -4.88 117.16 132.27 3iiq n TYR 135 Ca 0.14 0.01 0.07 0.00 3.32 0.00 0.00 57.90 61.43 3iiq n TYR 135 Cb 0.44 -2.66 0.20 0.00 -0.63 0.00 0.00 39.34 36.69 3iiq n TYR 135 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3iiq h PRO 136 N 12.11 0.21 0.00 2.98 0.11 -1.91 -0.54 132.00 144.96 3iiq h PRO 136 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3iiq h PRO 136 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iiq h PRO 136 CO 0.97 0.14 -0.04 0.39 -0.21 0.00 0.00 178.00 179.25 3iiq n GLU 137 N -5.22 0.13 -3.04 1.05 1.02 -1.26 -4.25 120.64 109.07 3iiq n GLU 137 Ca 0.16 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.29 3iiq n GLU 137 Cb 0.51 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 3iiq n GLU 137 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3iiq s ASP 138 N -3.76 -0.45 0.00 1.62 -1.08 -0.32 -5.02 116.67 107.66 3iiq s ASP 138 Ca 0.12 -1.94 0.08 0.00 -0.52 0.00 0.00 52.55 50.29 3iiq s ASP 138 Cb 0.16 1.18 0.47 0.00 -1.46 0.00 0.00 42.92 43.26 3iiq s ASP 138 CO 0.57 -0.12 1.06 -0.81 0.52 0.00 0.00 175.17 176.39 3iiq n PRO 139 N 3.24 0.70 0.00 4.34 -0.04 -0.54 -1.24 135.00 141.46 3iiq n PRO 139 Ca 0.19 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 3iiq n PRO 139 Cb 0.53 -1.18 0.50 0.00 -0.04 0.00 0.00 33.50 33.31 3iiq n PRO 139 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3iiq n LYS 140 N -0.68 0.01 -4.24 0.54 5.02 -1.26 -4.71 118.16 112.84 3iiq n LYS 140 Ca 0.06 0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 56.11 3iiq n LYS 140 Cb 0.03 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.42 3iiq n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iiq s LEU 141 N -3.05 3.49 0.05 -0.35 1.02 -0.37 -5.05 118.68 114.42 3iiq s LEU 141 Ca 0.11 -0.04 -0.20 0.00 0.02 0.00 0.00 54.13 54.03 3iiq s LEU 141 Cb 0.15 -1.86 -0.06 0.00 0.02 0.00 0.00 46.19 44.44 3iiq s LEU 141 CO 0.43 0.18 0.59 -1.81 0.02 0.00 0.00 176.35 175.76 3iiq s ASP 142 N 0.33 7.04 0.15 2.29 1.11 -1.26 -1.04 116.67 125.29 3iiq s ASP 142 Ca -0.01 1.24 0.09 0.00 0.18 0.00 0.00 52.55 54.06 3iiq s ASP 142 Cb -0.13 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 3iiq s ASP 142 CO 0.02 0.20 -0.21 -0.31 1.18 0.00 0.00 175.17 176.05 3iiq s TYR 143 N -0.74 2.00 -0.13 4.23 1.51 0.90 -4.89 117.35 120.22 3iiq s TYR 143 Ca 0.30 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3iiq s TYR 143 Cb -0.19 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3iiq s TYR 143 CO 0.19 0.35 -0.16 -1.50 -1.11 0.00 0.00 175.55 173.32 3iiq s ILE 144 N -1.63 1.61 0.33 2.71 2.07 -1.26 -0.78 121.20 124.25 3iiq s ILE 144 Ca 0.15 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 3iiq s ILE 144 Cb -0.08 -1.47 -0.01 0.00 0.13 0.00 0.00 42.46 41.03 3iiq s ILE 144 CO 0.07 0.46 0.40 -0.54 -1.91 0.00 0.00 174.94 173.42 3iiq s LYS 145 N 1.13 1.82 -0.17 3.50 -0.14 -0.67 -4.88 119.74 120.34 3iiq s LYS 145 Ca -0.03 -1.81 -0.09 0.00 -1.36 0.00 0.00 55.97 52.68 3iiq s LYS 145 Cb -0.14 0.40 -0.05 0.00 -1.68 0.00 0.00 37.83 36.36 3iiq s LYS 145 CO -0.05 -0.72 0.15 0.50 -0.76 0.00 0.00 175.35 174.47 3iiq s ARG 146 N -3.26 3.92 -0.71 1.68 3.52 -0.39 -0.71 118.95 123.01 3iiq s ARG 146 Ca 0.34 -0.16 -0.27 0.00 -0.13 0.00 0.00 55.73 55.51 3iiq s ARG 146 Cb 0.01 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 3iiq s ARG 146 CO 0.22 0.47 1.43 0.00 -0.81 0.00 0.00 175.30 176.61 3iiq s ALA 147 N -0.15 2.60 -0.08 6.12 0.00 0.36 -1.75 121.76 128.86 3iiq s ALA 147 Ca 0.11 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 50.99 3iiq s ALA 147 Cb -0.12 -4.27 -0.24 0.00 0.00 0.00 0.00 23.12 18.50 3iiq s ALA 147 CO 0.01 -3.45 0.53 0.28 0.00 0.00 0.00 175.76 173.13 3iiq n VAL 148 N 6.59 1.61 -4.84 0.00 0.31 -0.00 -0.01 118.33 121.99 3iiq n VAL 148 Ca 0.07 -0.78 -0.27 0.00 -0.01 0.00 0.00 64.34 63.35 3iiq n VAL 148 Cb 0.50 -1.09 -0.17 0.00 -0.91 0.00 0.00 33.84 32.17 3iiq n VAL 148 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iiq s GLY 149 N -5.26 1.00 0.40 2.92 0.00 -0.95 -4.80 107.32 100.63 3iiq s GLY 149 Ca -0.09 -0.64 0.08 0.00 0.00 0.00 0.00 44.72 44.07 3iiq s GLY 149 CO 0.81 -0.07 0.24 1.08 0.00 0.00 0.00 173.10 175.16 3iiq s LEU 150 N 0.51 3.26 0.09 0.66 1.43 -1.26 -1.21 118.68 122.16 3iiq s LEU 150 Ca -0.16 -0.88 -0.36 0.00 -1.03 0.00 0.00 54.13 51.70 3iiq s LEU 150 Cb -0.16 -1.74 -0.16 0.00 0.03 0.00 0.00 46.19 44.16 3iiq s LEU 150 CO 0.06 -0.52 1.43 -2.65 0.23 0.00 0.00 176.35 174.89 3iiq n PRO 151 N -1.33 1.43 0.00 1.29 -0.02 -1.14 -1.86 135.00 133.37 3iiq n PRO 151 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3iiq n PRO 151 Cb 0.63 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3iiq n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iiq n GLY 152 N 2.85 3.11 3.70 -1.23 0.00 0.07 -4.67 105.19 109.01 3iiq n GLY 152 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3iiq n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iiq n ASP 153 N 0.07 3.29 -4.61 1.61 8.00 -0.78 -0.36 116.55 123.77 3iiq n ASP 153 Ca 0.00 1.12 -0.41 0.00 0.71 0.00 0.00 54.79 56.21 3iiq n ASP 153 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 41.12 39.55 3iiq n ASP 153 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iiq s LYS 154 N 0.03 3.98 -0.09 -1.24 2.20 0.12 -1.08 119.74 123.66 3iiq s LYS 154 Ca 0.70 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.83 3iiq s LYS 154 Cb -0.59 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 31.99 3iiq s LYS 154 CO 0.45 -0.60 -0.12 0.08 -0.36 0.00 0.00 175.35 174.80 3iiq s VAL 155 N 2.77 3.18 -0.01 4.02 1.01 0.66 -0.17 120.40 131.86 3iiq s VAL 155 Ca 0.29 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3iiq s VAL 155 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3iiq s VAL 155 CO 0.11 0.56 -0.05 -0.89 0.00 0.00 0.00 175.10 174.83 3iiq s THR 156 N -0.25 0.44 -0.11 3.92 2.01 -0.15 -0.66 115.64 120.85 3iiq s THR 156 Ca 0.02 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.85 3iiq s THR 156 Cb -0.13 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 71.98 3iiq s THR 156 CO 0.03 0.15 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.45 3iiq s TYR 157 N 0.18 2.25 -0.38 4.92 5.04 -0.60 -0.47 117.35 128.30 3iiq s TYR 157 Ca -0.02 -1.01 -0.17 0.00 -2.44 0.00 0.00 57.07 53.43 3iiq s TYR 157 Cb -0.06 -1.56 0.01 0.00 0.35 0.00 0.00 41.96 40.70 3iiq s TYR 157 CO -0.00 -0.47 0.44 0.34 -1.34 0.00 0.00 175.55 174.52 3iiq s ASP 158 N 0.70 6.22 0.55 4.32 -1.08 -0.65 -4.85 116.67 121.88 3iiq s ASP 158 Ca -0.12 -0.37 0.33 0.00 -0.52 0.00 0.00 52.55 51.87 3iiq s ASP 158 Cb -0.16 -2.23 1.50 0.00 -1.46 0.00 0.00 42.92 40.57 3iiq s ASP 158 CO 0.02 -0.49 2.04 -0.65 0.52 0.00 0.00 175.17 176.61 3iiq h PRO 159 N 8.59 0.00 0.00 4.34 0.11 -1.93 0.15 132.00 143.27 3iiq h PRO 159 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3iiq h PRO 159 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3iiq h PRO 159 CO 0.76 0.05 -0.14 0.28 -0.21 0.00 0.00 178.00 178.74 3iiq h VAL 160 N 0.00 0.08 0.00 3.15 2.07 -1.96 -3.38 116.25 116.21 3iiq h VAL 160 Ca -0.00 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3iiq h VAL 160 Cb 0.44 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3iiq h VAL 160 CO 0.01 0.03 0.00 0.77 0.02 0.00 0.00 177.57 178.39 3iiq h SER 161 N -1.00 0.00 -5.81 0.57 4.64 -2.01 -3.47 113.55 106.46 3iiq h SER 161 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 3iiq h SER 161 Cb 0.17 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.39 3iiq h SER 161 CO -0.00 0.00 -0.79 0.29 -0.87 0.00 0.00 176.83 175.45 3iiq n LYS 162 N -2.96 -5.89 -4.39 4.77 5.02 0.54 -5.03 118.16 110.22 3iiq n LYS 162 Ca 0.02 0.76 -0.23 0.00 -2.02 0.00 0.00 58.31 56.84 3iiq n LYS 162 Cb 0.37 -5.60 -0.13 0.00 -0.02 0.00 0.00 35.03 29.65 3iiq n LYS 162 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3iiq s GLU 163 N -5.58 1.14 0.06 1.97 2.02 -1.22 -4.96 118.70 112.13 3iiq s GLU 163 Ca 0.01 -1.02 -0.08 0.00 0.02 0.00 0.00 54.97 53.90 3iiq s GLU 163 Cb -0.00 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.88 3iiq s GLU 163 CO 0.76 0.31 0.35 -0.51 0.02 0.00 0.00 175.26 176.20 3iiq s LEU 164 N -1.57 4.35 -0.07 1.80 1.43 -1.26 -1.64 118.68 121.73 3iiq s LEU 164 Ca 0.05 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 3iiq s LEU 164 Cb -0.09 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 3iiq s LEU 164 CO 0.03 0.20 -0.21 -0.89 0.23 0.00 0.00 176.35 175.71 3iiq s THR 165 N -1.37 2.43 -0.11 5.49 2.01 0.39 -4.92 115.64 119.55 3iiq s THR 165 Ca 0.31 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 3iiq s THR 165 Cb -0.14 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.47 3iiq s THR 165 CO 0.18 0.56 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.98 3iiq s ILE 166 N -0.12 0.94 -0.34 1.82 1.01 -1.26 -0.98 121.20 122.27 3iiq s ILE 166 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 3iiq s ILE 166 Cb -0.14 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.41 3iiq s ILE 166 CO 0.04 0.34 0.08 -1.10 0.00 0.00 0.00 174.94 174.30 3iiq s GLN 167 N 1.74 2.33 0.98 2.79 -0.21 0.76 -0.88 119.66 127.17 3iiq s GLN 167 Ca 0.05 -1.42 -0.13 0.00 0.02 0.00 0.00 55.36 53.88 3iiq s GLN 167 Cb -0.13 -3.36 0.18 0.00 1.00 0.00 0.00 33.01 30.70 3iiq s GLN 167 CO -0.08 -0.77 1.12 -2.14 -2.12 0.00 0.00 175.29 171.30 3iiq s PRO 168 N 1.25 0.60 -1.30 2.91 0.02 -0.94 0.12 135.00 137.66 3iiq s PRO 168 Ca -0.00 0.36 -0.05 0.00 0.02 0.00 0.00 61.00 61.32 3iiq s PRO 168 Cb -0.21 -1.77 -0.00 0.00 0.02 0.00 0.00 34.50 32.54 3iiq s PRO 168 CO -0.01 -2.58 0.61 0.41 -0.33 0.00 0.00 177.00 175.10 3iiq n GLY 169 N -1.60 -0.46 2.60 0.52 0.00 -1.25 -3.77 105.19 101.22 3iiq n GLY 169 Ca 0.06 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 3iiq n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiq h SER 171 N 2.83 0.63 -2.98 0.00 4.64 -1.84 -3.39 113.55 113.45 3iiq h SER 171 Ca 0.03 0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 3iiq h SER 171 Cb 1.12 0.02 -0.28 0.00 -0.31 0.00 0.00 62.40 62.94 3iiq h SER 171 CO 0.60 0.16 -0.38 -0.55 -0.87 0.00 0.00 176.83 175.78 3iiq s SER 172 N -5.30 -0.26 0.00 4.97 0.15 -1.26 -5.05 113.70 106.95 3iiq s SER 172 Ca -0.11 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.36 3iiq s SER 172 Cb 0.25 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 3iiq s SER 172 CO 0.79 -0.21 0.08 0.61 1.20 0.00 0.00 173.24 175.72 3iiq n GLY 173 N 4.76 0.17 0.00 9.45 0.00 -1.26 -4.91 105.19 113.40 3iiq n GLY 173 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3iiq n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iiq n GLU 177 N 0.00 0.56 -3.24 0.00 -0.58 -1.26 -4.07 120.64 112.07 3iiq n GLU 177 Ca 0.00 -1.78 -0.03 0.00 -0.42 0.00 0.00 57.16 54.93 3iiq n GLU 177 Cb 0.00 -1.29 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 3iiq n GLU 177 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3iiq s ASN 178 N -0.00 -0.51 -0.08 1.62 4.22 -1.25 -5.07 114.94 113.86 3iiq s ASN 178 Ca 0.30 -0.15 -0.39 0.00 -2.14 0.00 0.00 52.86 50.49 3iiq s ASN 178 Cb 0.09 1.52 -0.16 0.00 1.28 0.00 0.00 41.25 43.98 3iiq s ASN 178 CO -0.12 -0.33 1.50 0.00 -2.04 0.00 0.00 177.10 176.12 3iiq n ALA 179 N 5.37 -0.76 -1.84 3.54 0.00 -1.26 -2.21 120.51 123.34 3iiq n ALA 179 Ca 0.03 0.47 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 3iiq n ALA 179 Cb 0.51 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 3iiq n ALA 179 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3iiq s LEU 180 N 1.80 4.57 -0.48 0.00 2.96 -0.06 -4.91 118.68 122.55 3iiq s LEU 180 Ca 0.91 2.10 -0.28 0.00 -0.22 0.00 0.00 54.13 56.63 3iiq s LEU 180 Cb -1.03 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.06 3iiq s LEU 180 CO 0.56 -0.05 1.39 -2.16 -1.32 0.00 0.00 176.35 174.77 3iiq s PRO 181 N -1.07 3.47 -0.29 0.98 0.04 -1.26 -4.68 135.00 132.18 3iiq s PRO 181 Ca 0.44 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.13 3iiq s PRO 181 Cb -0.29 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.22 3iiq s PRO 181 CO 0.36 -1.72 0.03 0.08 0.04 0.00 0.00 177.00 175.80 3iiq s VAL 182 N 5.63 3.50 0.17 -0.36 1.01 -1.26 -1.21 120.40 127.89 3iiq s VAL 182 Ca 0.56 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3iiq s VAL 182 Cb -0.12 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3iiq s VAL 182 CO 0.29 0.05 -0.14 0.42 0.00 0.00 0.00 175.10 175.72 3iiq s THR 183 N 1.40 1.55 -0.03 3.92 -4.23 -0.94 -4.98 115.64 112.33 3iiq s THR 183 Ca 0.00 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 3iiq s THR 183 Cb -0.18 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 3iiq s THR 183 CO 0.00 -0.54 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.01 3iiq s TYR 184 N -2.69 2.04 0.98 3.99 1.51 -1.26 -1.13 117.35 120.79 3iiq s TYR 184 Ca 0.17 -0.45 -0.12 0.00 -1.01 0.00 0.00 57.07 55.66 3iiq s TYR 184 Cb -0.02 -1.32 0.18 0.00 -0.11 0.00 0.00 41.96 40.68 3iiq s TYR 184 CO 0.05 -0.08 1.10 -1.54 -1.11 0.00 0.00 175.55 173.96 3iiq s SER 185 N -0.40 2.78 0.36 2.29 1.04 -0.11 -4.98 113.70 114.67 3iiq s SER 185 Ca 0.05 1.20 -0.28 0.00 0.48 0.00 0.00 55.95 57.40 3iiq s SER 185 Cb -0.10 -1.86 -0.11 0.00 0.10 0.00 0.00 66.02 64.06 3iiq s SER 185 CO 0.00 -3.04 1.41 0.20 0.98 0.00 0.00 173.24 172.80 3iiq s ASN 186 N -3.50 6.51 0.38 7.02 0.01 -1.26 -4.58 114.94 119.51 3iiq s ASN 186 Ca 0.65 2.90 -0.28 0.00 -0.71 0.00 0.00 52.86 55.42 3iiq s ASN 186 Cb -0.18 -2.66 -0.11 0.00 0.41 0.00 0.00 41.25 38.71 3iiq s ASN 186 CO 0.57 -0.74 1.41 0.52 -1.51 0.00 0.00 177.10 177.35 3iiq n VAL 187 N 0.59 2.12 -3.99 1.60 0.31 -1.26 -4.74 118.33 112.96 3iiq n VAL 187 Ca 0.01 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.75 3iiq n VAL 187 Cb 0.40 -1.82 -0.09 0.00 -0.91 0.00 0.00 33.84 31.43 3iiq n VAL 187 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3iiq s GLU 188 N -2.08 0.79 0.37 5.55 -1.05 0.10 -4.96 118.70 117.42 3iiq s GLU 188 Ca 0.55 -1.13 -0.28 0.00 -0.15 0.00 0.00 54.97 53.96 3iiq s GLU 188 Cb -0.50 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 33.36 3iiq s GLU 188 CO 0.62 -0.22 1.47 -2.14 0.95 0.00 0.00 175.26 175.95 3iiq s PRO 189 N -3.91 4.13 0.73 -4.83 0.02 -1.26 -0.14 135.00 129.74 3iiq s PRO 189 Ca 0.09 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.63 3iiq s PRO 189 Cb 0.06 -2.98 0.13 0.00 0.02 0.00 0.00 34.50 31.73 3iiq s PRO 189 CO -0.08 -0.50 1.01 -1.54 -0.33 0.00 0.00 177.00 175.56 3iiq s SER 190 N -0.16 4.28 0.00 2.53 1.04 -0.46 -4.63 113.70 116.30 3iiq s SER 190 Ca 0.53 -0.33 0.30 0.00 0.48 0.00 0.00 55.95 56.92 3iiq s SER 190 Cb -0.46 -0.03 1.47 0.00 0.10 0.00 0.00 66.02 67.10 3iiq s SER 190 CO 0.62 -1.91 2.01 0.47 0.98 0.00 0.00 173.24 175.41 3iiq n ASP 191 N -2.88 0.17 -4.39 7.02 8.00 -1.26 -4.82 116.55 118.38 3iiq n ASP 191 Ca 0.15 -0.40 -0.31 0.00 0.71 0.00 0.00 54.79 54.94 3iiq n ASP 191 Cb 0.61 -0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 41.38 3iiq n ASP 191 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3iiq s PHE 192 N -2.47 2.48 -0.10 1.24 0.40 -1.26 0.88 117.98 119.16 3iiq s PHE 192 Ca 0.31 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 3iiq s PHE 192 Cb 0.20 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 3iiq s PHE 192 CO 0.45 0.09 -0.14 0.08 0.70 0.00 0.00 175.22 176.41 3iiq s VAL 193 N -0.72 3.04 -0.18 -0.44 1.01 0.19 -1.17 120.40 122.12 3iiq s VAL 193 Ca 0.11 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3iiq s VAL 193 Cb -0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3iiq s VAL 193 CO 0.01 0.55 0.04 -1.58 0.00 0.00 0.00 175.10 174.12 3iiq s GLN 194 N -0.11 3.87 -0.10 2.72 0.74 0.06 -1.11 119.66 125.73 3iiq s GLN 194 Ca -0.02 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.01 3iiq s GLN 194 Cb -0.14 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.83 3iiq s GLN 194 CO 0.04 0.22 -0.14 0.99 -0.55 0.00 0.00 175.29 175.84 3iiq s THR 195 N 0.50 1.40 0.34 -0.34 2.01 -0.11 -0.78 115.64 118.65 3iiq s THR 195 Ca 0.02 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 3iiq s THR 195 Cb -0.13 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 3iiq s THR 195 CO 0.01 0.42 0.63 -0.36 -0.69 0.00 0.00 174.62 174.63 3iiq s PHE 196 N 0.92 3.49 0.32 4.92 0.40 -1.26 0.21 117.98 126.98 3iiq s PHE 196 Ca -0.08 0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 56.96 3iiq s PHE 196 Cb -0.15 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.20 3iiq s PHE 196 CO -0.00 0.06 0.44 0.45 0.70 0.00 0.00 175.22 176.87 3iiq n SER 197 N -1.22 -1.23 0.00 1.36 2.88 0.15 -4.95 113.62 110.61 3iiq n SER 197 Ca -0.01 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 3iiq n SER 197 Cb 0.54 2.30 0.00 0.00 -0.75 0.00 0.00 64.21 66.31 3iiq n SER 197 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3iiq n ARG 198 N -0.52 0.00 -0.27 -1.46 0.00 -1.26 -3.02 116.66 110.12 3iiq n ARG 198 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 3iiq n ARG 198 Cb 0.53 0.00 0.05 0.00 -0.00 0.00 0.00 32.46 33.05 3iiq n ARG 198 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3iiq h ARG 199 N 0.00 1.12 0.00 2.89 2.43 -2.01 0.65 114.38 119.46 3iiq h ARG 199 Ca 0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3iiq h ARG 199 Cb 0.00 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3iiq h ARG 199 CO 0.00 0.92 0.00 0.09 -1.51 0.00 0.00 179.97 179.47 3iiq n ASN 200 N -4.32 0.00 -2.96 -3.80 4.13 -1.26 -5.03 115.26 102.02 3iiq n ASN 200 Ca 0.06 -0.83 -0.19 0.00 1.68 0.00 0.00 54.58 55.30 3iiq n ASN 200 Cb 0.19 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.39 3iiq n ASN 200 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iiq n ALA 204 N -0.90 -0.76 -2.60 5.41 0.00 0.23 -5.14 120.51 116.75 3iiq n ALA 204 Ca 0.13 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 3iiq n ALA 204 Cb 0.06 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 3iiq n ALA 204 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iiq s THR 205 N -2.11 1.47 0.06 0.00 -4.23 -1.17 -5.00 115.64 104.67 3iiq s THR 205 Ca 0.37 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3iiq s THR 205 Cb -0.22 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3iiq s THR 205 CO 0.45 0.00 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.53 3iiq s SER 206 N -3.68 0.84 0.14 3.99 1.04 -1.26 0.33 113.70 115.09 3iiq s SER 206 Ca 0.28 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 56.02 3iiq s SER 206 Cb 0.07 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3iiq s SER 206 CO 0.14 -0.37 -0.22 -0.83 0.98 0.00 0.00 173.24 172.94 3iiq s GLY 207 N -2.29 1.44 0.01 7.32 0.00 0.13 -4.94 107.32 108.99 3iiq s GLY 207 Ca -0.00 -1.43 0.07 0.00 0.00 0.00 0.00 44.72 43.35 3iiq s GLY 207 CO -0.03 -1.45 -0.20 -1.36 0.00 0.00 0.00 173.10 170.06 3iiq s PHE 208 N -1.48 2.52 -0.04 1.90 0.40 -1.26 -0.94 117.98 119.07 3iiq s PHE 208 Ca 0.13 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3iiq s PHE 208 Cb -0.08 -1.50 0.03 0.00 0.51 0.00 0.00 43.02 41.98 3iiq s PHE 208 CO 0.06 0.16 0.08 -0.06 0.70 0.00 0.00 175.22 176.16 3iiq s PHE 209 N -0.80 -0.01 -0.29 0.36 0.40 -0.27 -4.99 117.98 112.39 3iiq s PHE 209 Ca 0.13 0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 56.47 3iiq s PHE 209 Cb -0.10 -0.35 0.01 0.00 0.51 0.00 0.00 43.02 43.09 3iiq s PHE 209 CO 0.02 -0.17 1.02 -2.00 0.70 0.00 0.00 175.22 174.79 3iiq s GLU 210 N 1.81 4.10 -0.09 0.44 2.12 -1.26 0.54 118.70 126.37 3iiq s GLU 210 Ca -0.00 1.07 0.02 0.00 0.36 0.00 0.00 54.97 56.41 3iiq s GLU 210 Cb -0.12 -3.71 0.02 0.00 0.26 0.00 0.00 34.13 30.57 3iiq s GLU 210 CO -0.04 -0.80 -0.13 0.08 -0.54 0.00 0.00 175.26 173.84 3iiq s VAL 211 N 3.43 1.27 0.33 3.70 1.01 0.25 -4.95 120.40 125.43 3iiq s VAL 211 Ca 0.43 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 3iiq s VAL 211 Cb -0.13 -1.17 -0.13 0.00 0.00 0.00 0.00 36.38 34.94 3iiq s VAL 211 CO 0.13 0.39 0.92 -2.65 0.00 0.00 0.00 175.10 173.88 3iiq n PRO 212 N 4.11 1.16 0.29 2.72 -0.02 -1.26 -4.62 135.00 137.38 3iiq n PRO 212 Ca -0.20 0.41 0.18 0.00 -2.02 0.00 0.00 63.50 61.87 3iiq n PRO 212 Cb 0.51 -1.78 0.77 0.00 -0.02 0.00 0.00 33.50 32.98 3iiq n PRO 212 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3iiq h LYS 213 N 1.68 0.00 -0.02 -0.52 1.57 -1.91 -0.77 116.57 116.60 3iiq h LYS 213 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3iiq h LYS 213 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3iiq h LYS 213 CO 0.58 0.01 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 3iiq n ASN 214 N -3.12 0.24 -4.61 0.86 6.94 -1.26 -4.87 115.26 109.43 3iiq n ASN 214 Ca -0.00 -1.45 -0.24 0.00 -0.02 0.00 0.00 54.58 52.87 3iiq n ASN 214 Cb 0.27 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.59 3iiq n ASN 214 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3iiq s GLU 215 N -1.97 2.06 -0.07 -3.83 2.02 -0.29 -5.15 118.70 111.48 3iiq s GLU 215 Ca 0.29 -1.69 0.06 0.00 0.02 0.00 0.00 54.97 53.64 3iiq s GLU 215 Cb 0.14 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.41 3iiq s GLU 215 CO 0.23 0.20 -0.24 0.99 0.02 0.00 0.00 175.26 176.46 3iiq s THR 216 N -2.48 2.13 0.04 3.63 2.01 -1.26 -4.82 115.64 114.87 3iiq s THR 216 Ca 0.34 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.07 3iiq s THR 216 Cb -0.02 -1.78 -0.06 0.00 0.01 0.00 0.00 72.50 70.66 3iiq s THR 216 CO 0.19 0.57 0.70 -0.75 -0.69 0.00 0.00 174.62 174.64 3iiq s LYS 217 N -0.10 4.43 0.13 4.92 2.20 -1.26 -5.00 119.74 125.06 3iiq s LYS 217 Ca -0.05 0.94 -0.26 0.00 -0.36 0.00 0.00 55.97 56.24 3iiq s LYS 217 Cb -0.14 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3iiq s LYS 217 CO 0.04 0.34 1.61 0.93 -0.36 0.00 0.00 175.35 177.92 3iiq h GLU 218 N 5.54 -0.39 -5.15 4.03 3.07 -2.05 -3.39 114.58 116.23 3iiq h GLU 218 Ca -0.45 0.03 -0.67 0.00 -0.50 0.00 0.00 59.36 57.77 3iiq h GLU 218 Cb 1.20 0.09 -0.33 0.00 -0.84 0.00 0.00 28.75 28.87 3iiq h GLU 218 CO 0.70 -0.26 -0.85 -0.80 -1.40 0.00 0.00 179.01 176.40 3iiq s ASN 219 N -4.91 3.29 0.00 1.42 0.02 -1.26 -5.05 114.94 108.45 3iiq s ASN 219 Ca -0.15 -0.58 0.00 0.00 -1.02 0.00 0.00 52.86 51.11 3iiq s ASN 219 Cb 0.10 -1.49 0.00 0.00 0.02 0.00 0.00 41.25 39.88 3iiq s ASN 219 CO 0.66 0.05 0.00 0.61 0.02 0.00 0.00 177.10 178.44 3iiq n GLY 220 N 4.25 2.23 3.18 0.66 0.00 -1.26 -4.74 105.19 109.51 3iiq n GLY 220 Ca -0.20 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 3iiq n GLY 220 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3iiq s ILE 221 N -1.72 1.77 0.02 -0.61 2.07 0.04 -4.93 121.20 117.84 3iiq s ILE 221 Ca 0.00 -0.88 -0.30 0.00 -1.41 0.00 0.00 60.65 58.06 3iiq s ILE 221 Cb 0.00 -1.53 -0.04 0.00 0.13 0.00 0.00 42.46 41.02 3iiq s ILE 221 CO 0.00 0.50 1.11 -0.60 -1.91 0.00 0.00 174.94 174.04 3iiq s ARG 222 N 0.21 4.47 0.42 3.50 6.06 -1.26 -0.76 118.95 131.59 3iiq s ARG 222 Ca -0.11 1.62 -0.18 0.00 -2.50 0.00 0.00 55.73 54.55 3iiq s ARG 222 Cb -0.15 -3.41 -0.10 0.00 0.06 0.00 0.00 34.95 31.35 3iiq s ARG 222 CO 0.05 -0.20 0.90 -0.51 -2.50 0.00 0.00 175.30 173.05 3iiq s LEU 223 N 1.17 3.90 0.41 -0.88 1.43 -0.32 -4.76 118.68 119.63 3iiq s LEU 223 Ca 0.56 1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 55.17 3iiq s LEU 223 Cb -0.26 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 3iiq s LEU 223 CO 0.28 -0.37 0.67 -0.44 0.23 0.00 0.00 176.35 176.72 3iiq s SER 224 N -2.43 6.31 0.02 2.29 0.01 0.84 -1.36 113.70 119.38 3iiq s SER 224 Ca 0.59 0.75 0.02 0.00 1.31 0.00 0.00 55.95 58.62 3iiq s SER 224 Cb -0.09 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 3iiq s SER 224 CO 0.18 -0.42 -0.07 -0.70 0.41 0.00 0.00 173.24 172.64 3iiq s GLU 225 N -4.40 0.51 0.06 12.44 2.12 0.80 -1.34 118.70 128.89 3iiq s GLU 225 Ca 0.45 -0.45 -0.07 0.00 0.36 0.00 0.00 54.97 55.25 3iiq s GLU 225 Cb -0.10 -0.41 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 3iiq s GLU 225 CO 0.39 0.10 0.15 1.03 -0.54 0.00 0.00 175.26 176.39 3iiq s ARG 226 N -0.75 0.73 -0.14 4.30 0.52 -0.92 -0.72 118.95 121.97 3iiq s ARG 226 Ca -0.03 -0.87 -0.10 0.00 -0.52 0.00 0.00 55.73 54.21 3iiq s ARG 226 Cb -0.06 0.29 -0.05 0.00 0.52 0.00 0.00 34.95 35.66 3iiq s ARG 226 CO 0.00 -0.21 0.20 0.15 0.02 0.00 0.00 175.30 175.46 3iiq s LYS 227 N -3.31 3.88 -0.18 3.54 1.02 -1.26 -0.83 119.74 122.60 3iiq s LYS 227 Ca 0.01 -0.05 -0.01 0.00 0.02 0.00 0.00 55.97 55.94 3iiq s LYS 227 Cb 0.03 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3iiq s LYS 227 CO -0.08 0.52 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.74 3iiq s GLU 228 N -0.33 3.22 -0.25 1.68 2.12 -0.21 -0.93 118.70 124.00 3iiq s GLU 228 Ca 0.14 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.68 3iiq s GLU 228 Cb -0.12 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 3iiq s GLU 228 CO 0.03 -0.10 0.05 0.99 -0.54 0.00 0.00 175.26 175.69 3iiq s THR 229 N 1.14 4.09 -0.45 -1.70 2.01 -0.29 -1.56 115.64 118.88 3iiq s THR 229 Ca 0.01 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 3iiq s THR 229 Cb -0.14 -2.93 0.11 0.00 0.01 0.00 0.00 72.50 69.55 3iiq s THR 229 CO -0.04 0.32 0.30 -0.76 -0.69 0.00 0.00 174.62 173.75 3iiq s LEU 230 N 1.58 5.54 0.00 4.42 1.43 0.14 -2.22 118.68 129.58 3iiq s LEU 230 Ca 0.06 -1.90 0.00 0.00 -1.03 0.00 0.00 54.13 51.26 3iiq s LEU 230 Cb -0.15 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3iiq s LEU 230 CO 0.02 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.57 3iiq n GLY 231 N 4.84 0.31 0.30 -3.19 0.00 -0.35 -2.92 105.19 104.18 3iiq n GLY 231 Ca -0.07 0.67 0.09 0.00 0.00 0.00 0.00 46.02 46.71 3iiq n GLY 231 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iiq n ASP 232 N 6.59 2.78 -3.99 1.61 5.68 -1.26 -4.88 116.55 123.07 3iiq n ASP 232 Ca 0.00 -3.05 -0.16 0.00 -0.50 0.00 0.00 54.79 51.07 3iiq n ASP 232 Cb 0.00 -0.46 -0.14 0.00 -1.14 0.00 0.00 41.12 39.38 3iiq n ASP 232 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3iiq s VAL 233 N -2.84 0.52 -0.02 2.12 1.01 -1.15 -5.16 120.40 114.89 3iiq s VAL 233 Ca 0.34 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3iiq s VAL 233 Cb 0.29 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 36.21 3iiq s VAL 233 CO 0.05 0.06 -0.07 -0.89 0.00 0.00 0.00 175.10 174.25 3iiq s THR 234 N -0.34 0.62 0.19 3.92 2.01 -1.26 -0.68 115.64 120.10 3iiq s THR 234 Ca 0.01 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 3iiq s THR 234 Cb -0.04 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 3iiq s THR 234 CO -0.00 0.20 0.30 -1.38 -0.69 0.00 0.00 174.62 173.04 3iiq s HIS 235 N 0.17 0.53 0.18 4.92 -3.43 -0.60 -4.97 115.29 112.08 3iiq s HIS 235 Ca -0.02 -0.87 -0.09 0.00 -0.80 0.00 0.00 55.06 53.28 3iiq s HIS 235 Cb -0.07 -0.09 -0.07 0.00 -1.43 0.00 0.00 32.58 30.92 3iiq s HIS 235 CO 0.00 -0.77 0.50 1.03 -2.00 0.00 0.00 174.74 173.51 3iiq s ARG 236 N -4.01 3.79 0.04 -0.38 0.52 -1.26 -1.05 118.95 116.61 3iiq s ARG 236 Ca 0.22 0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.71 3iiq s ARG 236 Cb 0.03 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 3iiq s ARG 236 CO 0.04 0.40 -0.13 0.96 0.02 0.00 0.00 175.30 176.58 3iiq s ILE 237 N -1.69 1.06 -0.09 1.52 -4.36 -0.01 -4.61 121.20 113.02 3iiq s ILE 237 Ca 0.43 -1.05 -0.01 0.00 -0.26 0.00 0.00 60.65 59.77 3iiq s ILE 237 Cb -0.12 -0.98 -0.03 0.00 1.25 0.00 0.00 42.46 42.58 3iiq s ILE 237 CO 0.21 -0.06 -0.05 -0.76 0.24 0.00 0.00 174.94 174.51 3iiq s LEU 238 N -1.26 3.24 0.20 0.37 1.43 -0.83 -2.16 118.68 119.67 3iiq s LEU 238 Ca 0.00 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3iiq s LEU 238 Cb -0.08 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3iiq s LEU 238 CO 0.01 0.32 -0.16 0.42 0.23 0.00 0.00 176.35 177.18 3iiq s THR 239 N -0.54 1.81 -0.31 5.49 -4.23 -0.45 -1.62 115.64 115.80 3iiq s THR 239 Ca 0.08 -2.16 -0.04 0.00 -1.18 0.00 0.00 61.69 58.39 3iiq s THR 239 Cb -0.12 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.74 3iiq s THR 239 CO 0.02 -0.52 0.05 -0.69 -0.54 0.00 0.00 174.62 172.93 3iiq s VAL 240 N -2.73 3.45 0.32 2.29 1.01 -1.26 -0.12 120.40 123.36 3iiq s VAL 240 Ca 0.22 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3iiq s VAL 240 Cb -0.02 -2.90 0.30 0.00 0.00 0.00 0.00 36.38 33.76 3iiq s VAL 240 CO 0.07 -0.06 1.86 -0.65 0.00 0.00 0.00 175.10 176.32 3iiq h PRO 241 N 8.13 0.81 -0.00 2.72 0.11 -1.98 -2.50 132.00 139.28 3iiq h PRO 241 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3iiq h PRO 241 Cb 1.09 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3iiq h PRO 241 CO 0.58 0.53 -0.09 0.44 -0.21 0.00 0.00 178.00 179.26 3iiq n ILE 242 N -4.59 0.00 -3.57 4.15 -5.35 -1.26 -4.89 119.36 103.85 3iiq n ILE 242 Ca 0.18 -0.04 -0.35 0.00 -0.27 0.00 0.00 62.75 62.27 3iiq n ILE 242 Cb 0.41 -0.21 -0.05 0.00 -1.74 0.00 0.00 39.64 38.05 3iiq n ILE 242 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iiq s ALA 243 N -2.51 3.72 -0.07 -1.28 0.00 -0.94 -5.11 121.76 115.57 3iiq s ALA 243 Ca 0.28 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 3iiq s ALA 243 Cb 0.20 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3iiq s ALA 243 CO 0.48 0.56 0.17 -1.14 0.00 0.00 0.00 175.76 175.83 3iiq s GLN 244 N -1.95 0.20 0.22 0.00 0.74 -1.26 -4.88 119.66 112.73 3iiq s GLN 244 Ca 0.34 0.25 -0.31 0.00 0.05 0.00 0.00 55.36 55.68 3iiq s GLN 244 Cb -0.14 0.08 -0.11 0.00 1.10 0.00 0.00 33.01 33.94 3iiq s GLN 244 CO 0.18 -0.03 1.61 -0.51 -0.55 0.00 0.00 175.29 175.99 3iiq s ASP 245 N 0.16 6.48 -0.70 6.67 1.11 -1.26 -4.94 116.67 124.18 3iiq s ASP 245 Ca -0.01 2.78 -0.20 0.00 0.18 0.00 0.00 52.55 55.31 3iiq s ASP 245 Cb -0.02 -2.61 0.10 0.00 1.07 0.00 0.00 42.92 41.47 3iiq s ASP 245 CO -0.00 -0.88 0.89 -1.10 1.18 0.00 0.00 175.17 175.26 3iiq s GLN 246 N 0.58 3.21 0.56 8.23 -0.21 -1.26 -4.91 119.66 125.86 3iiq s GLN 246 Ca 0.69 -1.29 0.29 0.00 0.02 0.00 0.00 55.36 55.06 3iiq s GLN 246 Cb -0.46 -4.40 1.47 0.00 1.00 0.00 0.00 33.01 30.61 3iiq s GLN 246 CO 0.37 -1.68 1.93 0.28 -2.12 0.00 0.00 175.29 174.07 3iiq h VAL 247 N 5.87 0.52 -0.03 1.09 2.07 -1.99 0.80 116.25 124.58 3iiq h VAL 247 Ca -0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3iiq h VAL 247 Cb 1.07 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3iiq h VAL 247 CO 1.12 0.00 0.11 1.23 0.02 0.00 0.00 177.57 180.05 3iiq h GLY 248 N 0.00 0.00 0.64 2.17 0.00 -2.03 -2.01 103.07 101.84 3iiq h GLY 248 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3iiq h GLY 248 CO -0.00 0.00 -0.71 1.03 0.00 0.00 0.00 176.54 176.86 3iiq n MET 249 N -3.26 0.03 -1.72 4.80 2.00 0.27 -4.98 117.12 114.27 3iiq n MET 249 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.29 3iiq n MET 249 Cb 0.18 -1.51 0.03 0.00 0.00 0.00 0.00 33.22 31.93 3iiq n MET 249 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3iiq n TYR 250 N -1.55 2.12 -1.88 2.03 4.02 -0.76 -4.74 117.16 116.39 3iiq n TYR 250 Ca 0.05 0.45 -0.43 0.00 -0.01 0.00 0.00 57.90 57.96 3iiq n TYR 250 Cb 0.34 -2.35 -0.03 0.00 -0.02 0.00 0.00 39.34 37.29 3iiq n TYR 250 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3iiq s TYR 251 N -1.28 1.67 -0.36 -0.72 5.04 0.11 -4.94 117.35 116.87 3iiq s TYR 251 Ca 0.68 0.34 -0.15 0.00 -2.44 0.00 0.00 57.07 55.50 3iiq s TYR 251 Cb -0.45 -4.03 -0.01 0.00 0.35 0.00 0.00 41.96 37.82 3iiq s TYR 251 CO 0.53 -3.78 0.36 -1.14 -1.34 0.00 0.00 175.55 170.18 3iiq s GLN 252 N 5.13 3.46 0.24 4.97 0.74 -1.26 -4.81 119.66 128.14 3iiq s GLN 252 Ca 0.83 -0.52 -0.31 0.00 0.05 0.00 0.00 55.36 55.42 3iiq s GLN 252 Cb -0.30 -3.84 -0.11 0.00 1.10 0.00 0.00 33.01 29.86 3iiq s GLN 252 CO 0.34 -0.57 1.55 -1.14 -0.55 0.00 0.00 175.29 174.91 3iiq s GLN 253 N 1.99 4.19 -0.79 1.67 0.74 -1.26 -4.89 119.66 121.31 3iiq s GLN 253 Ca 0.11 2.44 -0.35 0.00 0.05 0.00 0.00 55.36 57.60 3iiq s GLN 253 Cb -0.17 -3.09 -0.20 0.00 1.10 0.00 0.00 33.01 30.66 3iiq s GLN 253 CO 0.12 -0.56 2.48 -2.30 -0.55 0.00 0.00 175.29 174.48 3iiq n PRO 254 N 2.80 0.10 -0.17 1.67 -0.02 -1.26 -1.92 135.00 136.20 3iiq n PRO 254 Ca 0.10 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3iiq n PRO 254 Cb 0.38 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3iiq n PRO 254 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iiq n GLY 255 N 6.80 0.59 3.93 -1.23 0.00 -1.26 -5.06 105.19 108.96 3iiq n GLY 255 Ca 0.60 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.35 3iiq n GLY 255 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iiq s GLN 256 N -0.81 3.48 0.77 1.61 -1.52 -0.81 -5.11 119.66 117.26 3iiq s GLN 256 Ca 0.00 -0.46 -0.11 0.00 -1.95 0.00 0.00 55.36 52.84 3iiq s GLN 256 Cb 0.00 -2.93 0.06 0.00 -0.22 0.00 0.00 33.01 29.92 3iiq s GLN 256 CO 0.00 0.49 1.08 1.14 -0.25 0.00 0.00 175.29 177.75 3iiq s GLN 257 N -3.14 2.28 0.34 2.91 0.00 -1.26 -4.72 119.66 116.07 3iiq s GLN 257 Ca 0.36 0.92 -0.29 0.00 -0.00 0.00 0.00 55.36 56.35 3iiq s GLN 257 Cb -0.11 -1.92 -0.11 0.00 0.00 0.00 0.00 33.01 30.87 3iiq s GLN 257 CO 0.28 -1.56 1.39 -0.51 0.00 0.00 0.00 175.29 174.90 3iiq s LEU 258 N -5.81 4.38 -0.28 2.60 1.02 -1.26 -2.55 118.68 116.78 3iiq s LEU 258 Ca 0.60 2.82 0.00 0.00 0.02 0.00 0.00 54.13 57.57 3iiq s LEU 258 Cb -0.16 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.40 3iiq s LEU 258 CO 0.55 -0.68 0.00 0.00 0.02 0.00 0.00 176.35 176.24 3iiq n ALA 259 N 0.88 -0.04 -3.63 4.21 0.00 -1.26 -5.01 120.51 115.67 3iiq n ALA 259 Ca 0.01 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 3iiq n ALA 259 Cb 0.41 -0.64 -0.16 0.00 0.00 0.00 0.00 19.45 19.06 3iiq n ALA 259 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iiq s THR 260 N -2.06 0.24 0.01 0.00 2.01 -1.06 -1.56 115.64 113.22 3iiq s THR 260 Ca 0.00 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.04 3iiq s THR 260 Cb 0.00 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 3iiq s THR 260 CO 0.00 0.15 -0.04 0.26 -0.69 0.00 0.00 174.62 174.30 3iiq s TRP 261 N 0.90 0.35 -0.28 4.92 0.51 0.17 -4.56 118.94 120.95 3iiq s TRP 261 Ca -0.10 -0.16 -0.04 0.00 -2.12 0.00 0.00 56.10 53.69 3iiq s TRP 261 Cb -0.13 -0.22 0.03 0.00 -0.81 0.00 0.00 33.47 32.34 3iiq s TRP 261 CO -0.01 -0.03 0.01 0.42 -0.51 0.00 0.00 176.95 176.82 3iiq s ILE 262 N -0.37 3.28 -0.08 2.03 1.01 -1.26 -0.24 121.20 125.57 3iiq s ILE 262 Ca -0.02 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 3iiq s ILE 262 Cb -0.03 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 3iiq s ILE 262 CO -0.00 0.07 1.75 -0.69 0.00 0.00 0.00 174.94 176.07 3iiq s VAL 263 N 1.37 3.45 0.94 2.92 1.01 -0.24 -4.94 120.40 124.91 3iiq s VAL 263 Ca -0.00 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 3iiq s VAL 263 Cb -0.18 -3.38 0.16 0.00 0.00 0.00 0.00 36.38 32.97 3iiq s VAL 263 CO -0.01 -0.09 1.11 -2.84 0.00 0.00 0.00 175.10 173.27 3iiq s PRO 264 N 4.42 0.88 0.58 2.72 0.02 -1.26 -0.75 135.00 141.61 3iiq s PRO 264 Ca 0.78 1.29 -0.19 0.00 0.02 0.00 0.00 61.00 62.91 3iiq s PRO 264 Cb -0.33 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3iiq s PRO 264 CO 0.32 -2.64 1.17 -1.25 -0.33 0.00 0.00 177.00 174.28 3iiq s PRO 265 N -4.68 3.10 -0.71 5.54 0.04 -1.26 -2.60 135.00 134.42 3iiq s PRO 265 Ca 0.66 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.42 3iiq s PRO 265 Cb -0.22 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3iiq s PRO 265 CO 0.59 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.96 3iiq n GLY 266 N 0.33 0.85 3.26 0.56 0.00 -1.26 -5.00 105.19 103.93 3iiq n GLY 266 Ca 0.13 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3iiq n GLY 266 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iiq s GLN 267 N -2.20 1.17 0.11 1.61 -0.21 -1.07 -1.33 119.66 117.74 3iiq s GLN 267 Ca 0.00 -1.57 0.05 0.00 0.02 0.00 0.00 55.36 53.85 3iiq s GLN 267 Cb 0.00 -0.30 -0.04 0.00 1.00 0.00 0.00 33.01 33.67 3iiq s GLN 267 CO 0.00 -0.15 -0.12 0.71 -2.12 0.00 0.00 175.29 173.62 3iiq s TYR 268 N -3.65 1.22 -0.25 0.91 1.51 -0.34 -2.89 117.35 113.88 3iiq s TYR 268 Ca 0.26 -0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 3iiq s TYR 268 Cb 0.06 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.26 3iiq s TYR 268 CO 0.06 0.07 0.01 0.12 -1.11 0.00 0.00 175.55 174.70 3iiq s PHE 269 N -2.41 3.04 -0.12 2.71 5.36 -0.35 -0.35 117.98 125.86 3iiq s PHE 269 Ca 0.08 -0.88 -0.02 0.00 -0.96 0.00 0.00 56.93 55.15 3iiq s PHE 269 Cb -0.03 -2.17 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 3iiq s PHE 269 CO 0.01 -0.53 -0.04 -1.64 -1.46 0.00 0.00 175.22 171.57 3iiq s MET 270 N 1.50 3.30 0.01 10.12 -1.94 -1.26 -0.82 119.30 130.21 3iiq s MET 270 Ca 0.05 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 3iiq s MET 270 Cb -0.15 -2.81 -0.01 0.00 2.01 0.00 0.00 34.83 33.86 3iiq s MET 270 CO -0.00 0.45 -0.08 -1.64 -0.01 0.00 0.00 175.02 173.73 3iiq s MET 271 N -0.19 0.61 0.34 2.03 -1.94 -0.71 -1.16 119.30 118.28 3iiq s MET 271 Ca 0.04 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 53.45 3iiq s MET 271 Cb -0.13 -0.56 -0.09 0.00 2.01 0.00 0.00 34.83 36.06 3iiq s MET 271 CO 0.02 0.15 0.79 0.20 -0.01 0.00 0.00 175.02 176.17 3iiq s GLY 272 N -0.52 2.39 0.32 -0.03 0.00 -1.26 -1.27 107.32 106.95 3iiq s GLY 272 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 44.72 45.01 3iiq s GLY 272 CO 0.00 0.39 1.68 -0.55 0.00 0.00 0.00 173.10 174.62 3iiq h ASP 273 N 2.31 0.00 -2.17 1.64 3.32 -1.70 -3.32 116.42 116.49 3iiq h ASP 273 Ca -0.48 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 55.86 3iiq h ASP 273 Cb 1.18 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.56 3iiq h ASP 273 CO 0.64 0.51 1.17 0.21 -1.72 0.00 0.00 179.24 180.06 3iiq s ASN 274 N -6.71 6.85 0.47 6.45 3.84 -0.42 -1.97 114.94 123.45 3iiq s ASN 274 Ca -0.01 -2.50 0.25 0.00 0.21 0.00 0.00 52.86 50.81 3iiq s ASN 274 Cb 0.12 -2.41 1.11 0.00 -0.55 0.00 0.00 41.25 39.52 3iiq s ASN 274 CO 0.73 -0.93 1.92 0.03 -2.79 0.00 0.00 177.10 176.06 3iiq h ARG 275 N 8.00 0.00 -0.31 0.43 -0.00 -1.42 0.29 114.38 121.37 3iiq h ARG 275 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.73 3iiq h ARG 275 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.91 3iiq h ARG 275 CO 1.20 0.20 0.00 -0.25 0.00 0.00 0.00 179.97 181.12 3iiq n ASP 276 N -3.51 3.38 -2.60 7.04 10.43 -1.26 -4.32 116.55 125.71 3iiq n ASP 276 Ca -0.01 -2.00 -0.12 0.00 2.57 0.00 0.00 54.79 55.24 3iiq n ASP 276 Cb 0.36 -0.20 0.03 0.00 1.84 0.00 0.00 41.12 43.15 3iiq n ASP 276 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3iiq n ASN 277 N 1.47 2.50 -3.64 -2.24 3.02 0.07 -5.01 115.26 111.43 3iiq n ASN 277 Ca 0.18 -2.86 -0.17 0.00 -0.03 0.00 0.00 54.58 51.71 3iiq n ASN 277 Cb 0.61 -0.48 -0.15 0.00 -0.61 0.00 0.00 39.78 39.15 3iiq n ASN 277 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3iiq s SER 278 N -3.42 0.86 -0.69 6.41 0.15 -1.11 -4.22 113.70 111.69 3iiq s SER 278 Ca 0.34 0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.98 3iiq s SER 278 Cb 0.41 0.32 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 3iiq s SER 278 CO -0.03 -0.26 1.15 0.00 1.20 0.00 0.00 173.24 175.30 3iiq s ALA 279 N 2.31 2.91 0.00 5.45 0.00 -1.26 -4.86 121.76 126.31 3iiq s ALA 279 Ca 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3iiq s ALA 279 Cb -0.13 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.91 3iiq s ALA 279 CO -0.07 -3.03 0.00 -0.40 0.00 0.00 0.00 175.76 172.26 3iiq n ASP 280 N 8.64 0.47 -0.22 0.00 3.85 -1.26 -4.98 116.55 123.04 3iiq n ASP 280 Ca 0.01 -0.18 0.20 0.00 -0.71 0.00 0.00 54.79 54.10 3iiq n ASP 280 Cb 0.48 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.78 3iiq n ASP 280 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3iiq h SER 281 N 0.00 0.36 -1.09 -1.12 0.02 -1.31 0.48 113.55 110.88 3iiq h SER 281 Ca 0.00 0.04 0.30 0.00 -0.84 0.00 0.00 61.79 61.29 3iiq h SER 281 Cb 0.00 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.41 3iiq h SER 281 CO 0.00 0.14 0.71 0.03 -1.14 0.00 0.00 176.83 176.57 3iiq h ARG 282 N 0.36 0.31 0.00 3.45 3.08 -1.85 -0.41 114.38 119.32 3iiq h ARG 282 Ca 0.45 -0.02 -0.29 0.00 0.07 0.00 0.00 59.98 60.20 3iiq h ARG 282 Cb 1.19 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 3iiq h ARG 282 CO -0.15 0.21 -2.21 0.66 -1.07 0.00 0.00 179.97 177.40 3iiq n TYR 283 N -4.63 0.14 -0.45 3.04 4.02 0.09 0.04 117.16 119.40 3iiq n TYR 283 Ca 0.28 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 3iiq n TYR 283 Cb 0.99 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 3iiq n TYR 283 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 3iiq n TRP 284 N -2.70 0.00 -0.79 -0.72 4.27 -0.78 -3.58 117.44 113.14 3iiq n TRP 284 Ca -0.25 -0.18 0.00 0.00 -3.89 0.00 0.00 57.50 53.18 3iiq n TRP 284 Cb 1.03 -0.02 0.00 0.00 -1.36 0.00 0.00 31.31 30.96 3iiq n TRP 284 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3iiq n GLY 285 N -0.18 -1.80 3.93 -1.67 0.00 -0.18 -4.96 105.19 100.32 3iiq n GLY 285 Ca 0.00 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 3iiq n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iiq s PHE 286 N 0.00 3.30 -0.26 1.61 0.40 -1.26 -4.19 117.98 117.57 3iiq s PHE 286 Ca 0.00 0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 56.87 3iiq s PHE 286 Cb 0.00 -2.55 0.03 0.00 0.51 0.00 0.00 43.02 41.01 3iiq s PHE 286 CO 0.00 -0.61 -0.05 0.08 0.70 0.00 0.00 175.22 175.34 3iiq s VAL 287 N -2.83 2.93 0.53 -0.44 1.01 0.53 -4.87 120.40 117.26 3iiq s VAL 287 Ca 0.51 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 3iiq s VAL 287 Cb -0.10 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3iiq s VAL 287 CO 0.43 0.16 1.37 -2.65 0.00 0.00 0.00 175.10 174.41 3iiq n PRO 288 N 4.67 1.77 -0.26 2.72 -0.02 -1.26 -1.19 135.00 141.43 3iiq n PRO 288 Ca -0.16 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 3iiq n PRO 288 Cb 0.47 -2.59 0.18 0.00 -0.02 0.00 0.00 33.50 31.54 3iiq n PRO 288 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3iiq h GLU 289 N 1.54 0.16 -0.18 -0.52 4.57 -1.57 -0.98 114.58 117.61 3iiq h GLU 289 Ca -0.51 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 57.71 3iiq h GLU 289 Cb 1.30 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 3iiq h GLU 289 CO 0.58 0.11 0.19 0.00 -1.18 0.00 0.00 179.01 178.70 3iiq h ALA 290 N 1.68 1.83 0.00 2.92 0.00 -1.91 -2.40 119.26 121.38 3iiq h ALA 290 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3iiq h ALA 290 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3iiq h ALA 290 CO -0.61 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 178.45 3iiq n ASN 291 N -3.87 0.60 -4.65 0.00 5.03 -0.37 -4.80 115.26 107.20 3iiq n ASN 291 Ca 0.01 0.56 -0.43 0.00 0.87 0.00 0.00 54.58 55.60 3iiq n ASN 291 Cb 0.31 -0.72 -0.02 0.00 -1.02 0.00 0.00 39.78 38.33 3iiq n ASN 291 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3iiq s LEU 292 N -4.14 4.17 -0.16 3.41 1.43 -0.91 -0.07 118.68 122.41 3iiq s LEU 292 Ca 0.11 1.80 -0.18 0.00 -1.03 0.00 0.00 54.13 54.83 3iiq s LEU 292 Cb 0.13 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.67 3iiq s LEU 292 CO 0.55 -0.88 0.25 0.58 0.23 0.00 0.00 176.35 177.08 3iiq h VAL 293 N 5.62 0.82 0.00 -1.59 2.07 -1.40 -3.46 116.25 118.30 3iiq h VAL 293 Ca -0.31 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.42 3iiq h VAL 293 Cb 1.13 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3iiq h VAL 293 CO 0.97 0.28 0.00 0.61 0.02 0.00 0.00 177.57 179.45 3iiq n GLY 294 N 1.57 -1.39 3.77 2.17 0.00 -1.11 -2.62 105.19 107.59 3iiq n GLY 294 Ca -0.16 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 3iiq n GLY 294 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iiq s ARG 295 N -1.23 4.00 -0.25 1.61 3.52 -0.59 -1.30 118.95 124.70 3iiq s ARG 295 Ca 0.00 -0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.21 3iiq s ARG 295 Cb 0.00 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 3iiq s ARG 295 CO 0.00 0.43 1.05 0.00 -0.81 0.00 0.00 175.30 175.97 3iiq s ALA 296 N -0.05 3.64 -0.08 6.12 0.00 -0.01 -0.55 121.76 130.84 3iiq s ALA 296 Ca 0.12 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.28 3iiq s ALA 296 Cb -0.12 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 3iiq s ALA 296 CO 0.02 -1.16 0.18 0.25 0.00 0.00 0.00 175.76 175.04 3iiq n THR 297 N 5.45 0.00 -3.54 0.00 -2.24 -0.55 -4.76 114.28 108.64 3iiq n THR 297 Ca 0.12 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3iiq n THR 297 Cb 0.46 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 3iiq n THR 297 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iiq s ALA 298 N -2.24 -1.36 -0.28 6.98 0.00 -1.21 -3.10 121.76 120.54 3iiq s ALA 298 Ca -0.01 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3iiq s ALA 298 Cb 0.04 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3iiq s ALA 298 CO 0.27 -0.58 0.23 0.42 0.00 0.00 0.00 175.76 176.10 3iiq s ILE 299 N -2.91 5.28 -0.01 0.00 1.01 -0.05 -0.55 121.20 123.98 3iiq s ILE 299 Ca -0.03 0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 3iiq s ILE 299 Cb -0.00 -3.57 -0.32 0.00 0.01 0.00 0.00 42.46 38.57 3iiq s ILE 299 CO -0.05 0.22 0.84 -0.25 0.00 0.00 0.00 174.94 175.70 3iiq h TRP 300 N 8.34 0.79 -3.09 3.97 7.01 -0.86 -1.17 115.95 130.94 3iiq h TRP 300 Ca -0.34 -0.58 -0.02 0.00 2.11 0.00 0.00 58.89 60.06 3iiq h TRP 300 Cb 1.18 -0.03 -0.12 0.00 -2.10 0.00 0.00 29.16 28.09 3iiq h TRP 300 CO 0.76 1.59 0.15 1.41 -2.79 0.00 0.00 178.44 179.55 3iiq s MET 301 N -2.59 1.26 -0.13 2.65 1.75 -1.10 -4.86 119.30 116.28 3iiq s MET 301 Ca -0.12 -0.56 -0.12 0.00 -1.25 0.00 0.00 55.69 53.65 3iiq s MET 301 Cb 0.05 0.56 0.03 0.00 2.84 0.00 0.00 34.83 38.32 3iiq s MET 301 CO 0.89 -0.54 0.34 0.45 -0.65 0.00 0.00 175.02 175.51 3iiq s SER 302 N -2.77 -0.36 -0.04 1.11 0.15 -1.26 -0.11 113.70 110.42 3iiq s SER 302 Ca 0.02 0.69 0.05 0.00 0.70 0.00 0.00 55.95 57.41 3iiq s SER 302 Cb -0.01 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 3iiq s SER 302 CO -0.12 -0.12 -0.18 -0.36 1.20 0.00 0.00 173.24 173.67 3iiq s PHE 303 N 0.24 1.70 -0.20 3.44 0.40 -0.35 -2.44 117.98 120.78 3iiq s PHE 303 Ca -0.00 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 55.59 3iiq s PHE 303 Cb -0.03 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 3iiq s PHE 303 CO -0.00 -0.13 1.76 0.34 0.70 0.00 0.00 175.22 177.89 3iiq s ASP 304 N -0.08 6.21 0.07 1.36 -1.08 0.29 -4.32 116.67 119.12 3iiq s ASP 304 Ca -0.01 1.77 -0.26 0.00 -0.52 0.00 0.00 52.55 53.53 3iiq s ASP 304 Cb -0.10 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 38.90 3iiq s ASP 304 CO 0.01 -1.37 0.65 -1.59 0.52 0.00 0.00 175.17 173.39 3iiq s LYS 305 N 4.97 1.16 0.18 4.34 -2.85 -1.26 -1.27 119.74 125.02 3iiq s LYS 305 Ca 0.79 -0.19 0.05 0.00 -1.00 0.00 0.00 55.97 55.62 3iiq s LYS 305 Cb -0.28 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 3iiq s LYS 305 CO 0.32 -0.46 0.19 -1.14 0.10 0.00 0.00 175.35 174.36 3iiq s GLN 306 N -2.74 3.05 -0.40 1.78 0.74 -1.26 -4.78 119.66 116.05 3iiq s GLN 306 Ca -0.03 -0.84 -0.35 0.00 0.05 0.00 0.00 55.36 54.19 3iiq s GLN 306 Cb -0.01 -2.71 -0.12 0.00 1.10 0.00 0.00 33.01 31.27 3iiq s GLN 306 CO -0.04 0.47 2.23 -1.91 -0.55 0.00 0.00 175.29 175.49 3iiq n GLU 307 N -0.61 0.96 -0.50 1.67 2.13 -1.26 -2.58 120.64 120.44 3iiq n GLU 307 Ca -0.08 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3iiq n GLU 307 Cb 0.55 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.84 3iiq n GLU 307 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iiq n GLY 308 N 6.56 1.09 3.74 8.31 0.00 -1.26 -5.06 105.19 118.57 3iiq n GLY 308 Ca 0.43 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 3iiq n GLY 308 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iiq n GLU 309 N -0.24 1.10 -2.75 1.61 0.28 -1.07 -5.16 120.64 114.41 3iiq n GLU 309 Ca 0.00 -2.16 -0.22 0.00 -0.16 0.00 0.00 57.16 54.62 3iiq n GLU 309 Cb 0.10 2.71 0.09 0.00 1.43 0.00 0.00 31.44 35.77 3iiq n GLU 309 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3iiq s TRP 310 N -2.20 1.62 -0.02 -1.84 0.52 -1.26 -4.71 118.94 111.05 3iiq s TRP 310 Ca 0.16 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.85 3iiq s TRP 310 Cb -0.05 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 3iiq s TRP 310 CO 0.11 -1.45 0.12 -1.25 0.02 0.00 0.00 176.95 174.50 3iiq s PRO 311 N -4.95 3.24 0.00 4.98 0.04 -1.25 -4.32 135.00 132.75 3iiq s PRO 311 Ca 0.64 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.29 3iiq s PRO 311 Cb -0.06 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.51 3iiq s PRO 311 CO 0.42 0.67 0.73 2.41 0.04 0.00 0.00 177.00 181.27 3iiq n THR 312 N 1.18 0.00 -0.96 1.26 -1.04 -0.39 -4.96 114.28 109.36 3iiq n THR 312 Ca -0.13 1.23 0.00 0.00 -2.04 0.00 0.00 64.05 63.11 3iiq n THR 312 Cb 0.53 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 3iiq n THR 312 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iiq n GLY 313 N -0.83 4.42 1.76 3.41 0.00 -1.26 -4.99 105.19 107.71 3iiq n GLY 313 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 3iiq n GLY 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iiq n LEU 314 N 0.00 0.00 -2.96 0.99 4.32 -1.26 0.11 117.00 118.19 3iiq n LEU 314 Ca 0.00 -1.37 -0.15 0.00 -0.02 0.00 0.00 56.01 54.47 3iiq n LEU 314 Cb 0.00 0.02 0.01 0.00 -1.62 0.00 0.00 43.42 41.83 3iiq n LEU 314 CO 0.00 -0.37 0.01 0.54 -1.22 0.00 0.00 177.39 176.35 3iiq n ARG 315 N -1.00 0.87 0.19 3.23 1.74 -1.02 -4.40 116.66 116.27 3iiq n ARG 315 Ca -0.03 -2.55 0.11 0.00 -0.77 0.00 0.00 57.85 54.61 3iiq n ARG 315 Cb 0.29 -1.35 0.65 0.00 -1.02 0.00 0.00 32.46 31.03 3iiq n ARG 315 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3iiq h LEU 316 N 3.50 0.01 -1.83 0.55 3.38 -1.99 -0.36 115.31 118.57 3iiq h LEU 316 Ca -0.02 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3iiq h LEU 316 Cb 1.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3iiq h LEU 316 CO 0.35 0.00 0.48 0.77 0.09 0.00 0.00 178.44 180.14 3iiq h SER 317 N 0.01 0.00 1.17 -0.43 4.64 -1.98 -1.87 113.55 115.09 3iiq h SER 317 Ca 0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3iiq h SER 317 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3iiq h SER 317 CO -0.00 0.00 -0.87 0.03 -0.87 0.00 0.00 176.83 175.12 3iiq h ARG 318 N 0.00 0.00 -6.40 4.77 3.08 -1.47 -3.46 114.38 110.90 3iiq h ARG 318 Ca 0.14 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.58 3iiq h ARG 318 Cb 1.10 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.20 3iiq h ARG 318 CO -0.00 0.30 0.86 -0.89 -1.07 0.00 0.00 179.97 179.17 3iiq n ILE 319 N -3.01 0.18 -0.23 2.04 5.41 -0.70 -4.63 119.36 118.41 3iiq n ILE 319 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3iiq n ILE 319 Cb 0.73 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.10 3iiq n ILE 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iiq n GLY 320 N 3.65 0.81 3.71 7.39 0.00 -0.44 -4.98 105.19 115.33 3iiq n GLY 320 Ca 0.19 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 3iiq n GLY 320 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iiq s GLY 321 N 0.00 1.67 -0.19 -0.02 0.00 -1.26 -0.87 107.32 106.65 3iiq s GLY 321 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 3iiq s GLY 321 CO 0.00 0.79 0.17 -0.42 0.00 0.00 0.00 173.10 173.64 3iiq s ILE 322 N -2.77 5.39 0.00 0.90 1.01 -1.18 -4.66 121.20 119.89 3iiq s ILE 322 Ca 0.64 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.57 3iiq s ILE 322 Cb -0.20 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3iiq s ILE 322 CO 0.57 0.43 0.35 1.41 0.00 0.00 0.00 174.94 177.71