#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s GLU 87 N 0.00 4.28 -0.27 1.43 8.01 -1.26 -4.90 118.70 126.00 3kqz s GLU 87 Ca 0.00 1.93 -0.21 0.00 0.01 0.00 0.00 54.97 56.69 3kqz s GLU 87 Cb 0.00 -3.60 -0.01 0.00 -4.31 0.00 0.00 34.13 26.21 3kqz s GLU 87 CO 0.00 -0.58 0.69 0.54 0.01 0.00 0.00 175.26 175.92 3kqz s VAL 88 N 2.50 4.92 0.48 2.63 0.11 -1.26 -5.03 120.40 124.76 3kqz s VAL 88 Ca 0.63 1.17 -0.23 0.00 -2.93 0.00 0.00 61.98 60.62 3kqz s VAL 88 Cb -0.30 -4.01 -0.07 0.00 -1.53 0.00 0.00 36.38 30.48 3kqz s VAL 88 CO 0.26 -0.06 1.26 -2.16 -3.33 0.00 0.00 175.10 171.07 3kqz s PRO 89 N 2.64 3.55 0.07 1.54 0.04 -1.26 -4.93 135.00 136.66 3kqz s PRO 89 Ca 0.28 2.00 0.07 0.00 0.04 0.00 0.00 61.00 63.40 3kqz s PRO 89 Cb -0.15 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 3kqz s PRO 89 CO 0.09 -0.79 -0.20 -0.65 0.04 0.00 0.00 177.00 175.50 3kqz s GLN 90 N -2.72 1.22 -0.04 4.56 -0.21 -1.26 -5.02 119.66 116.19 3kqz s GLN 90 Ca 0.66 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 55.01 3kqz s GLN 90 Cb -0.34 -1.37 -0.27 0.00 1.00 0.00 0.00 33.01 32.03 3kqz s GLN 90 CO 0.42 0.34 0.69 0.28 -2.12 0.00 0.00 175.29 174.89 3kqz h VAL 91 N 4.26 0.95 -3.69 1.09 2.07 -1.95 -3.48 116.25 115.51 3kqz h VAL 91 Ca -0.43 -2.65 -0.26 0.00 0.82 0.00 0.00 66.70 64.18 3kqz h VAL 91 Cb 1.17 2.64 -0.15 0.00 -1.52 0.00 0.00 31.29 33.43 3kqz h VAL 91 CO 0.42 0.78 -0.69 0.68 0.02 0.00 0.00 177.57 178.78 3kqz s VAL 92 N -2.60 0.82 -0.54 2.57 -7.23 -1.26 -5.02 120.40 107.13 3kqz s VAL 92 Ca -0.12 -1.98 0.21 0.00 -1.81 0.00 0.00 61.98 58.28 3kqz s VAL 92 Cb 0.07 -1.81 0.22 0.00 0.56 0.00 0.00 36.38 35.42 3kqz s VAL 92 CO 0.83 -0.77 1.64 -1.54 -0.31 0.00 0.00 175.10 174.95 3kqz n SER 93 N -0.12 0.53 -0.08 4.85 3.41 -1.26 -0.84 113.62 120.11 3kqz n SER 93 Ca -0.11 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 3kqz n SER 93 Cb 0.61 -0.75 0.52 0.00 -0.26 0.00 0.00 64.21 64.33 3kqz n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 94 N -2.10 0.44 -4.73 1.04 4.77 -1.26 -4.82 117.00 110.34 3kqz n LEU 94 Ca 0.02 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 3kqz n LEU 94 Cb 0.19 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3kqz n LEU 94 CO 0.17 0.09 1.11 -1.81 -1.33 0.00 0.00 177.39 175.62 3kqz s ASP 95 N -2.68 6.71 0.62 -1.43 1.01 -0.02 -4.98 116.67 115.90 3kqz s ASP 95 Ca 0.22 2.54 -0.15 0.00 0.71 0.00 0.00 52.55 55.87 3kqz s ASP 95 Cb 0.19 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 3kqz s ASP 95 CO 0.53 -0.70 1.08 -2.16 0.21 0.00 0.00 175.17 174.14 3kqz s PRO 96 N 0.37 3.10 -0.05 8.23 0.04 -1.26 -4.97 135.00 140.45 3kqz s PRO 96 Ca 0.63 1.28 0.08 0.00 0.04 0.00 0.00 61.00 63.03 3kqz s PRO 96 Cb -0.40 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.30 3kqz s PRO 96 CO 0.37 -1.00 1.10 0.25 0.04 0.00 0.00 177.00 177.76 3kqz n THR 97 N -2.20 1.38 -3.45 1.26 -2.24 -1.26 -4.86 114.28 102.91 3kqz n THR 97 Ca 0.09 -1.48 -0.14 0.00 -2.27 0.00 0.00 64.05 60.26 3kqz n THR 97 Cb 0.52 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 3kqz n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqz s SER 98 N -1.68 -0.59 -0.19 3.42 1.04 -1.26 -4.75 113.70 109.68 3kqz s SER 98 Ca 0.15 0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.50 3kqz s SER 98 Cb 0.13 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 3kqz s SER 98 CO 0.03 -0.86 0.95 -0.63 0.98 0.00 0.00 173.24 173.71 3kqz s ILE 99 N -3.04 4.77 -0.01 -1.02 1.01 -1.26 -4.89 121.20 116.76 3kqz s ILE 99 Ca -0.02 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 3kqz s ILE 99 Cb -0.01 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 3kqz s ILE 99 CO -0.07 -0.08 1.59 -2.16 0.00 0.00 0.00 174.94 174.22 3kqz s PRO 100 N 2.66 4.21 -0.09 2.79 0.04 -1.26 -4.99 135.00 138.36 3kqz s PRO 100 Ca 0.42 2.16 0.02 0.00 0.04 0.00 0.00 61.00 63.64 3kqz s PRO 100 Cb -0.16 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.60 3kqz s PRO 100 CO 0.10 -0.76 -0.14 0.42 0.04 0.00 0.00 177.00 176.66 3kqz s ILE 101 N 3.32 1.34 -0.38 0.56 1.01 -1.26 -4.98 121.20 120.81 3kqz s ILE 101 Ca 0.71 -0.57 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 3kqz s ILE 101 Cb -0.34 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3kqz s ILE 101 CO 0.29 0.41 0.58 -0.70 0.00 0.00 0.00 174.94 175.52 3kqz s GLU 102 N 0.83 3.54 -0.19 2.79 2.12 -1.26 -4.96 118.70 121.57 3kqz s GLU 102 Ca -0.11 -0.16 -0.15 0.00 0.36 0.00 0.00 54.97 54.91 3kqz s GLU 102 Cb -0.15 -3.85 -0.10 0.00 0.26 0.00 0.00 34.13 30.29 3kqz s GLU 102 CO 0.01 -0.77 -0.11 0.66 -0.54 0.00 0.00 175.26 174.52 3kqz n TYR 103 N 5.96 0.68 -2.80 5.30 4.02 -1.26 -4.72 117.16 124.33 3kqz n TYR 103 Ca -0.03 0.30 -0.43 0.00 -0.01 0.00 0.00 57.90 57.73 3kqz n TYR 103 Cb 0.48 -0.86 -0.04 0.00 -0.02 0.00 0.00 39.34 38.90 3kqz n TYR 103 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3kqz s ASN 104 N -6.36 6.45 0.17 7.72 3.84 -1.26 -4.99 114.94 120.50 3kqz s ASN 104 Ca -0.25 -0.02 0.04 0.00 0.21 0.00 0.00 52.86 52.85 3kqz s ASN 104 Cb 0.05 -2.46 -0.04 0.00 -0.55 0.00 0.00 41.25 38.26 3kqz s ASN 104 CO 0.41 -1.14 0.21 0.42 -2.79 0.00 0.00 177.10 174.20 3kqz s THR 105 N 3.93 4.87 0.52 -5.21 -4.23 -1.26 -4.97 115.64 109.29 3kqz s THR 105 Ca 0.36 -0.93 0.32 0.00 -1.18 0.00 0.00 61.69 60.26 3kqz s THR 105 Cb -0.11 -3.51 0.50 0.00 1.34 0.00 0.00 72.50 70.72 3kqz s THR 105 CO 0.24 -0.13 1.85 -0.65 -0.54 0.00 0.00 174.62 175.39 3kqz h PRO 106 N 2.19 0.05 -0.91 3.99 0.11 -1.99 0.39 132.00 135.83 3kqz h PRO 106 Ca -0.48 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3kqz h PRO 106 Cb 1.20 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3kqz h PRO 106 CO 0.65 0.04 0.60 0.82 -0.21 0.00 0.00 178.00 179.90 3kqz h ILE 107 N 0.05 1.18 0.00 4.15 1.08 -1.93 -1.38 117.51 120.66 3kqz h ILE 107 Ca 0.49 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 3kqz h ILE 107 Cb 1.87 -0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3kqz h ILE 107 CO -0.04 0.21 -0.01 0.45 -0.69 0.00 0.00 178.15 178.08 3kqz h HIS 108 N 1.17 0.00 0.00 1.37 3.86 -0.59 -2.72 115.15 118.23 3kqz h HIS 108 Ca 0.35 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.52 3kqz h HIS 108 Cb -0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3kqz h HIS 108 CO -0.00 0.01 -0.66 -0.44 0.86 0.00 0.00 177.93 177.69 3kqz h ASP 109 N 0.00 0.00 -2.49 2.45 3.32 -1.26 -3.45 116.42 114.99 3kqz h ASP 109 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3kqz h ASP 109 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3kqz h ASP 109 CO 0.00 0.16 1.26 -0.63 -1.72 0.00 0.00 179.24 178.32 3kqz s ILE 110 N -3.19 3.37 0.00 0.35 1.01 -1.03 -4.89 121.20 116.82 3kqz s ILE 110 Ca 0.02 0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 3kqz s ILE 110 Cb 0.08 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3kqz s ILE 110 CO 0.75 -0.19 1.18 -0.54 0.00 0.00 0.00 174.94 176.14 3kqz s LYS 111 N 5.23 4.41 -0.20 2.79 1.02 0.58 -4.78 119.74 128.79 3kqz s LYS 111 Ca 0.83 1.69 -0.02 0.00 0.02 0.00 0.00 55.97 58.50 3kqz s LYS 111 Cb -0.30 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 3kqz s LYS 111 CO 0.34 -0.33 -0.11 0.08 -0.92 0.00 0.00 175.35 174.41 3kqz s VAL 112 N 1.60 2.85 -0.09 3.17 1.01 -1.25 0.55 120.40 128.24 3kqz s VAL 112 Ca 0.57 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3kqz s VAL 112 Cb -0.26 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3kqz s VAL 112 CO 0.26 0.47 -0.16 -1.10 0.00 0.00 0.00 175.10 174.56 3kqz s GLN 113 N 1.36 2.95 -0.15 2.72 -1.52 0.69 -4.98 119.66 120.73 3kqz s GLN 113 Ca 0.05 -0.74 -0.06 0.00 -1.95 0.00 0.00 55.36 52.66 3kqz s GLN 113 Cb -0.14 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 30.17 3kqz s GLN 113 CO -0.07 0.36 0.04 0.08 -0.25 0.00 0.00 175.29 175.46 3kqz s VAL 114 N -0.06 4.62 0.05 1.09 1.01 -1.26 -0.53 120.40 125.33 3kqz s VAL 114 Ca -0.04 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.90 3kqz s VAL 114 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3kqz s VAL 114 CO 0.04 0.52 -0.17 -0.31 0.00 0.00 0.00 175.10 175.18 3kqz s TYR 115 N -0.07 1.45 0.07 5.22 1.51 0.76 -4.95 117.35 121.33 3kqz s TYR 115 Ca 0.06 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.43 3kqz s TYR 115 Cb -0.12 -0.84 -0.06 0.00 -0.11 0.00 0.00 41.96 40.82 3kqz s TYR 115 CO 0.01 0.08 1.25 0.34 -1.11 0.00 0.00 175.55 176.12 3kqz s ASP 116 N -1.34 7.01 0.34 2.29 2.15 -1.26 -1.57 116.67 124.30 3kqz s ASP 116 Ca 0.03 2.10 0.04 0.00 0.43 0.00 0.00 52.55 55.15 3kqz s ASP 116 Cb -0.09 -2.58 0.63 0.00 -0.30 0.00 0.00 42.92 40.58 3kqz s ASP 116 CO 0.02 -0.52 1.90 -0.29 -0.17 0.00 0.00 175.17 176.11 3kqz h ILE 117 N 4.45 1.19 -3.22 4.11 2.10 -1.76 -3.37 117.51 121.00 3kqz h ILE 117 Ca -0.42 -0.70 -0.53 0.00 1.08 0.00 0.00 64.86 64.29 3kqz h ILE 117 Cb 1.21 0.87 0.06 0.00 -1.09 0.00 0.00 36.82 37.87 3kqz h ILE 117 CO 0.83 0.25 0.84 -0.54 -1.08 0.00 0.00 178.15 178.45 3kqz s LYS 118 N -5.05 4.19 0.00 2.19 1.02 -1.26 -0.50 119.74 120.33 3kqz s LYS 118 Ca -0.08 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.35 3kqz s LYS 118 Cb 0.16 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3kqz s LYS 118 CO 0.76 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 3kqz n GLY 119 N 2.57 2.27 0.59 -3.33 0.00 -1.26 -5.03 105.19 101.00 3kqz n GLY 119 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3kqz n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 120 N -0.38 -2.68 3.29 -0.02 0.00 0.35 -4.90 105.19 100.85 3kqz n GLY 120 Ca 0.00 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N 0.85 6.78 0.00 0.00 0.01 -1.26 -0.04 114.94 121.29 3kqz s ASN 122 Ca -0.04 1.36 0.00 0.00 -0.71 0.00 0.00 52.86 53.47 3kqz s ASN 122 Cb -0.15 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.10 3kqz s ASN 122 CO -0.00 -0.27 0.00 0.52 -1.51 0.00 0.00 177.10 175.84 3kqz n VAL 123 N -0.54 0.00 0.00 1.60 0.31 -1.26 -4.98 118.33 113.46 3kqz n VAL 123 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3kqz n VAL 123 Cb 0.53 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 3kqz n VAL 123 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3kqz n GLU 124 N -0.28 0.00 -0.66 5.55 0.28 -1.26 -4.86 120.64 119.42 3kqz n GLU 124 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 3kqz n GLU 124 Cb 0.00 0.00 0.18 0.00 1.43 0.00 0.00 31.44 33.05 3kqz n GLU 124 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3kqz n GLU 125 N 14.00 -0.82 0.00 3.44 0.28 -1.26 -4.54 120.64 131.74 3kqz n GLU 125 Ca 0.00 -0.19 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 3kqz n GLU 125 Cb 0.00 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 30.65 3kqz n GLU 125 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kqz n GLY 126 N 0.70 1.59 3.14 -1.84 0.00 -1.26 -4.72 105.19 102.80 3kqz n GLY 126 Ca 0.09 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 3kqz n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqz s LEU 127 N 0.00 1.91 -0.20 0.99 2.96 0.08 -3.50 118.68 120.92 3kqz s LEU 127 Ca 0.00 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.50 3kqz s LEU 127 Cb 0.00 -1.09 0.02 0.00 0.50 0.00 0.00 46.19 45.62 3kqz s LEU 127 CO 0.00 0.14 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.13 3kqz s THR 128 N 0.24 2.41 -0.15 3.68 2.01 -0.13 0.42 115.64 124.11 3kqz s THR 128 Ca -0.10 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.00 3kqz s THR 128 Cb -0.14 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.30 3kqz s THR 128 CO 0.04 0.44 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.58 3kqz s ILE 129 N 1.32 2.00 -0.18 1.82 -1.09 0.48 -0.35 121.20 125.20 3kqz s ILE 129 Ca 0.04 -0.92 -0.19 0.00 -2.23 0.00 0.00 60.65 57.34 3kqz s ILE 129 Cb -0.14 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3kqz s ILE 129 CO -0.10 0.53 0.55 -0.36 -1.23 0.00 0.00 174.94 174.34 3kqz s PHE 130 N 1.05 3.41 -0.82 3.97 0.40 -0.01 -0.73 117.98 125.25 3kqz s PHE 130 Ca -0.02 0.87 -0.21 0.00 -0.60 0.00 0.00 56.93 56.97 3kqz s PHE 130 Cb -0.14 -2.70 0.09 0.00 0.51 0.00 0.00 43.02 40.78 3kqz s PHE 130 CO -0.07 -0.06 1.12 -0.51 0.70 0.00 0.00 175.22 176.40 3kqz s LEU 131 N 1.49 4.41 -0.17 -0.37 1.43 -0.42 -1.16 118.68 123.89 3kqz s LEU 131 Ca 0.27 -1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 51.88 3kqz s LEU 131 Cb -0.16 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 3kqz s LEU 131 CO 0.10 -1.34 0.02 0.68 0.23 0.00 0.00 176.35 176.05 3kqz s VAL 132 N 3.81 4.38 0.57 -1.59 -7.23 -1.06 -2.03 120.40 117.24 3kqz s VAL 132 Ca 0.31 -0.18 0.08 0.00 -1.81 0.00 0.00 61.98 60.38 3kqz s VAL 132 Cb -0.09 -2.96 0.07 0.00 0.56 0.00 0.00 36.38 33.96 3kqz s VAL 132 CO -0.00 0.47 0.64 0.54 -0.31 0.00 0.00 175.10 176.44 3kqz s ASN 133 N 0.44 4.89 -0.46 4.85 2.20 -1.26 -1.02 114.94 124.59 3kqz s ASN 133 Ca 0.00 -1.03 0.06 0.00 -0.94 0.00 0.00 52.86 50.95 3kqz s ASN 133 Cb -0.13 0.40 0.19 0.00 -2.00 0.00 0.00 41.25 39.70 3kqz s ASN 133 CO 0.02 -1.27 0.53 -3.20 -2.94 0.00 0.00 177.10 170.23 3kqz n ASN 134 N -2.07 -1.73 -4.66 3.54 2.85 -0.85 -4.71 115.26 107.62 3kqz n ASN 134 Ca 0.09 -2.65 -0.48 0.00 -0.11 0.00 0.00 54.58 51.43 3kqz n ASN 134 Cb 0.63 0.46 -0.05 0.00 1.24 0.00 0.00 39.78 42.06 3kqz n ASN 134 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kqz n PRO 135 N 2.72 1.93 0.00 1.20 -0.04 -1.26 -3.47 135.00 136.08 3kqz n PRO 135 Ca 0.24 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 3kqz n PRO 135 Cb 0.52 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3kqz n PRO 135 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kqz n GLY 136 N 3.45 2.00 3.60 0.55 0.00 -0.85 -5.02 105.19 108.92 3kqz n GLY 136 Ca 0.19 -0.65 -0.52 0.00 0.00 0.00 0.00 46.02 45.03 3kqz n GLY 136 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kqz n LYS 137 N 0.00 1.17 -0.02 1.61 -0.00 -1.23 -4.89 118.16 114.81 3kqz n LYS 137 Ca 0.00 0.42 -0.01 0.00 -0.00 0.00 0.00 58.31 58.72 3kqz n LYS 137 Cb 0.00 -2.07 -0.01 0.00 -0.00 0.00 0.00 35.03 32.95 3kqz n LYS 137 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3kqz h GLU 138 N 4.83 -0.01 -2.17 -1.58 3.07 -1.96 -2.85 114.58 113.90 3kqz h GLU 138 Ca -0.48 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 57.81 3kqz h GLU 138 Cb 1.33 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.83 3kqz h GLU 138 CO 0.80 -0.01 -0.77 0.09 -1.40 0.00 0.00 179.01 177.72 3kqz n ASN 139 N -3.07 3.09 -4.68 1.42 5.03 -1.26 -4.77 115.26 111.02 3kqz n ASN 139 Ca -0.00 -3.36 -0.34 0.00 0.87 0.00 0.00 54.58 51.75 3kqz n ASN 139 Cb 0.02 -0.62 0.12 0.00 -1.02 0.00 0.00 39.78 38.28 3kqz n ASN 139 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kqz n GLY 140 N 0.46 -0.05 3.71 7.41 0.00 -1.08 -4.39 105.19 111.25 3kqz n GLY 140 Ca 0.28 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3kqz n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqz s PRO 141 N -3.94 1.81 -0.01 1.61 0.04 -1.26 -1.39 135.00 131.87 3kqz s PRO 141 Ca 0.74 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 3kqz s PRO 141 Cb -0.30 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3kqz s PRO 141 CO 0.50 -2.07 0.92 0.14 0.04 0.00 0.00 177.00 176.53 3kqz s VAL 142 N -2.15 4.88 -0.17 -0.36 -7.23 -0.08 -4.70 120.40 110.59 3kqz s VAL 142 Ca 0.73 1.93 0.01 0.00 -1.81 0.00 0.00 61.98 62.84 3kqz s VAL 142 Cb -0.28 -4.26 0.02 0.00 0.56 0.00 0.00 36.38 32.42 3kqz s VAL 142 CO 0.49 0.19 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.75 3kqz s LYS 143 N 0.88 2.78 -0.52 4.82 1.02 -1.26 -4.29 119.74 123.17 3kqz s LYS 143 Ca 0.49 -0.75 -0.22 0.00 0.02 0.00 0.00 55.97 55.51 3kqz s LYS 143 Cb -0.20 -2.41 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 3kqz s LYS 143 CO 0.26 -0.20 0.77 0.42 -0.92 0.00 0.00 175.35 175.69 3kqz s ILE 144 N 1.30 4.65 0.07 2.17 1.01 -1.26 -4.91 121.20 124.22 3kqz s ILE 144 Ca 0.04 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 3kqz s ILE 144 Cb -0.13 -4.40 -0.18 0.00 0.01 0.00 0.00 42.46 37.76 3kqz s ILE 144 CO -0.11 -0.92 1.24 0.77 0.00 0.00 0.00 174.94 175.92 3kqz h SER 145 N 9.12 0.79 -3.60 3.58 4.64 -1.96 -3.48 113.55 122.64 3kqz h SER 145 Ca -0.27 -0.66 -0.56 0.00 -0.47 0.00 0.00 61.79 59.83 3kqz h SER 145 Cb 1.09 -0.24 0.12 0.00 -0.31 0.00 0.00 62.40 63.06 3kqz h SER 145 CO 1.01 1.33 0.58 -1.20 -0.87 0.00 0.00 176.83 177.68 3kqz n SER 146 N -4.06 2.96 -4.69 4.97 7.64 -1.26 -4.95 113.62 114.23 3kqz n SER 146 Ca -0.08 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.54 3kqz n SER 146 Cb 0.71 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 3kqz n SER 146 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kqz s LYS 147 N -2.12 4.24 -0.28 1.43 0.00 -1.26 -4.96 119.74 116.79 3kqz s LYS 147 Ca 0.58 2.15 -0.03 0.00 0.00 0.00 0.00 55.97 58.67 3kqz s LYS 147 Cb -0.51 -3.57 0.03 0.00 0.00 0.00 0.00 37.83 33.78 3kqz s LYS 147 CO 0.60 -0.65 -0.00 0.08 0.00 0.00 0.00 175.35 175.39 3kqz s VAL 148 N 2.45 3.21 0.00 1.79 1.01 -1.26 -0.49 120.40 127.11 3kqz s VAL 148 Ca 0.69 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3kqz s VAL 148 Cb -0.36 -2.71 -0.14 0.00 0.00 0.00 0.00 36.38 33.16 3kqz s VAL 148 CO 0.29 0.06 2.49 0.59 0.00 0.00 0.00 175.10 178.53 3kqz n ASN 149 N 4.71 4.06 -3.71 3.32 3.02 0.95 -4.62 115.26 122.99 3kqz n ASN 149 Ca -0.15 -2.20 -0.12 0.00 -0.03 0.00 0.00 54.58 52.08 3kqz n ASN 149 Cb 0.46 -1.02 -0.13 0.00 -0.61 0.00 0.00 39.78 38.48 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kqz s ASP 150 N 2.16 -0.24 0.05 6.41 2.15 -1.26 -4.82 116.67 121.13 3kqz s ASP 150 Ca 0.36 0.61 -0.24 0.00 0.43 0.00 0.00 52.55 53.71 3kqz s ASP 150 Cb 0.17 0.53 -0.17 0.00 -0.30 0.00 0.00 42.92 43.16 3kqz s ASP 150 CO 0.00 -0.18 1.58 0.07 -0.17 0.00 0.00 175.17 176.47 3kqz h LYS 151 N 7.34 -0.00 -0.11 4.34 2.10 -1.97 -2.47 116.57 125.80 3kqz h LYS 151 Ca -0.36 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.27 3kqz h LYS 151 Cb 1.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3kqz h LYS 151 CO 0.33 0.16 0.00 1.96 -2.00 0.00 0.00 179.45 179.90 3kqz h GLN 152 N -0.16 0.19 0.00 0.07 1.08 -1.88 -0.52 115.11 113.90 3kqz h GLN 152 Ca -0.00 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3kqz h GLN 152 Cb 0.16 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3kqz h GLN 152 CO 0.00 0.44 -0.03 -0.39 -0.95 0.00 0.00 178.83 177.90 3kqz h VAL 153 N -0.07 0.18 0.09 -0.54 -1.51 -1.81 -1.92 116.25 110.66 3kqz h VAL 153 Ca 0.03 -0.27 -0.31 0.00 -1.23 0.00 0.00 66.70 64.92 3kqz h VAL 153 Cb 0.35 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 3kqz h VAL 153 CO 0.01 0.03 -1.63 0.28 -1.23 0.00 0.00 177.57 175.02 3kqz h SER 154 N 0.00 0.31 0.38 4.19 0.02 -0.97 -1.99 113.55 115.49 3kqz h SER 154 Ca -0.00 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3kqz h SER 154 Cb 0.22 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3kqz h SER 154 CO 0.00 1.43 -0.14 -0.33 -1.14 0.00 0.00 176.83 176.65 3kqz h GLU 155 N 0.05 0.00 0.01 3.45 5.08 -0.67 -2.90 114.58 119.60 3kqz h GLU 155 Ca -0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3kqz h GLU 155 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 3kqz h GLU 155 CO 0.13 0.14 -0.00 0.35 -1.00 0.00 0.00 179.01 178.63 3kqz h PHE 156 N 0.00 -0.01 0.00 4.33 3.57 -1.38 -3.33 116.94 120.12 3kqz h PHE 156 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kqz h PHE 156 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3kqz h PHE 156 CO 0.00 0.84 0.00 1.28 -2.23 0.00 0.00 178.31 178.20 3kqz n LEU 157 N -4.66 0.17 -4.62 0.59 4.77 -0.75 -4.61 117.00 107.89 3kqz n LEU 157 Ca -0.09 -0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.43 3kqz n LEU 157 Cb 0.41 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3kqz n LEU 157 CO 0.31 0.04 0.55 0.29 -1.33 0.00 0.00 177.39 177.25 3kqz n LYS 158 N -0.38 0.81 -0.34 3.23 4.76 -1.10 -4.56 118.16 120.57 3kqz n LYS 158 Ca 0.00 0.32 0.05 0.00 -2.87 0.00 0.00 58.31 55.81 3kqz n LYS 158 Cb 0.04 -2.19 0.20 0.00 -1.84 0.00 0.00 35.03 31.24 3kqz n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kqz h ASP 159 N 0.32 0.88 -0.69 4.39 3.32 -1.91 -1.49 116.42 121.23 3kqz h ASP 159 Ca -0.49 0.04 0.15 0.00 0.02 0.00 0.00 57.03 56.75 3kqz h ASP 159 Cb 1.36 -0.14 -0.12 0.00 0.22 0.00 0.00 39.33 40.65 3kqz h ASP 159 CO 0.50 0.50 0.04 -0.33 -1.72 0.00 0.00 179.24 178.24 3kqz h GLU 160 N 0.98 0.14 0.01 3.56 3.07 -1.94 0.15 114.58 120.55 3kqz h GLU 160 Ca 0.45 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 59.10 3kqz h GLU 160 Cb 0.37 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3kqz h GLU 160 CO -0.24 0.09 -0.91 -0.91 -1.40 0.00 0.00 179.01 175.65 3kqz h ASN 161 N 0.14 0.28 1.08 1.42 2.35 -1.63 -3.32 115.58 115.89 3kqz h ASN 161 Ca 0.38 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3kqz h ASN 161 Cb 0.64 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3kqz h ASN 161 CO -0.57 1.05 -0.42 0.23 -1.65 0.00 0.00 177.43 176.07 3kqz n MET 162 N -3.64 0.29 -0.25 0.81 2.81 -0.63 -4.02 117.12 112.49 3kqz n MET 162 Ca -0.04 0.13 0.06 0.00 -1.81 0.00 0.00 57.70 56.04 3kqz n MET 162 Cb 0.83 -1.73 0.30 0.00 -0.71 0.00 0.00 33.22 31.91 3kqz n MET 162 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kqz h GLU 163 N 0.00 0.85 0.00 0.03 5.08 -0.86 -2.59 114.58 117.10 3kqz h GLU 163 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kqz h GLU 163 Cb 0.75 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3kqz h GLU 163 CO 0.00 0.56 0.00 0.36 -1.00 0.00 0.00 179.01 178.93 3kqz n LYS 164 N -4.50 0.08 -4.42 2.33 2.85 -1.26 -4.64 118.16 108.60 3kqz n LYS 164 Ca 0.13 0.42 -0.35 0.00 -1.05 0.00 0.00 58.31 57.47 3kqz n LYS 164 Cb 0.25 -1.68 -0.10 0.00 -0.65 0.00 0.00 35.03 32.85 3kqz n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kqz s PHE 165 N -3.18 3.12 0.52 5.58 0.40 -0.97 -5.06 117.98 118.38 3kqz s PHE 165 Ca 0.03 0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.58 3kqz s PHE 165 Cb 0.07 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.85 3kqz s PHE 165 CO 0.23 0.44 0.37 0.54 0.70 0.00 0.00 175.22 177.50 3kqz s ASN 166 N -0.88 4.64 -0.07 1.36 2.20 -1.26 -0.90 114.94 120.03 3kqz s ASN 166 Ca 0.13 -1.20 0.14 0.00 -0.94 0.00 0.00 52.86 50.99 3kqz s ASN 166 Cb -0.11 0.26 0.45 0.00 -2.00 0.00 0.00 41.25 39.84 3kqz s ASN 166 CO 0.02 -1.01 1.37 1.33 -2.94 0.00 0.00 177.10 175.88 3kqz n VAL 167 N -1.69 1.48 -1.55 3.54 0.24 -0.48 -4.70 118.33 115.16 3kqz n VAL 167 Ca -0.02 -1.27 -0.61 0.00 -2.04 0.00 0.00 64.34 60.41 3kqz n VAL 167 Cb 0.64 0.24 -0.09 0.00 -1.47 0.00 0.00 33.84 33.16 3kqz n VAL 167 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3kqz n LYS 168 N 0.39 0.00 -1.73 7.34 5.02 -1.26 -1.22 118.16 126.70 3kqz n LYS 168 Ca 0.17 0.00 -0.64 0.00 -2.02 0.00 0.00 58.31 55.83 3kqz n LYS 168 Cb 0.63 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 34.11 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kqz n LEU 169 N 2.50 1.71 0.00 -0.35 7.94 -1.26 -1.23 117.00 126.31 3kqz n LEU 169 Ca 0.24 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 3kqz n LEU 169 Cb 0.02 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 42.98 3kqz n LEU 169 CO 0.71 -0.66 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 3kqz n GLY 170 N 4.12 2.19 3.74 -3.96 0.00 -0.08 -4.94 105.19 106.25 3kqz n GLY 170 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 3kqz n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqz s THR 171 N -2.35 2.26 0.04 2.61 2.01 -0.37 -4.75 115.64 115.10 3kqz s THR 171 Ca 0.00 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.12 3kqz s THR 171 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 3kqz s THR 171 CO 0.00 -0.04 0.06 -0.94 -0.69 0.00 0.00 174.62 173.01 3kqz s SER 172 N -1.51 0.25 -0.01 3.53 1.04 -1.26 -0.58 113.70 115.16 3kqz s SER 172 Ca 0.80 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 3kqz s SER 172 Cb -0.34 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.01 3kqz s SER 172 CO 0.38 -0.52 0.25 -0.54 0.98 0.00 0.00 173.24 173.78 3kqz s LYS 173 N -2.86 0.61 -0.06 4.02 3.01 -0.85 -4.98 119.74 118.63 3kqz s LYS 173 Ca -0.03 -0.28 0.04 0.00 -1.01 0.00 0.00 55.97 54.68 3kqz s LYS 173 Cb 0.00 0.26 -0.02 0.00 -1.01 0.00 0.00 37.83 37.07 3kqz s LYS 173 CO -0.06 -0.16 -0.16 -1.01 0.51 0.00 0.00 175.35 174.47 3kqz s HIS 174 N -1.40 2.67 0.01 3.18 3.76 -1.26 -2.21 115.29 120.04 3kqz s HIS 174 Ca -0.14 -0.31 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 3kqz s HIS 174 Cb -0.06 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 3kqz s HIS 174 CO 0.03 0.07 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.77 3kqz s PHE 175 N -0.49 1.43 -0.04 1.40 0.08 0.50 -4.95 117.98 115.92 3kqz s PHE 175 Ca 0.06 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 56.85 3kqz s PHE 175 Cb -0.12 -0.89 -0.01 0.00 -0.57 0.00 0.00 43.02 41.44 3kqz s PHE 175 CO 0.02 0.02 -0.20 -0.47 -0.10 0.00 0.00 175.22 174.48 3kqz s TYR 176 N -0.59 1.88 -0.00 0.36 5.04 -1.26 -1.37 117.35 121.41 3kqz s TYR 176 Ca 0.05 -0.49 -0.28 0.00 -2.44 0.00 0.00 57.07 53.91 3kqz s TYR 176 Cb -0.07 -1.24 0.09 0.00 0.35 0.00 0.00 41.96 41.08 3kqz s TYR 176 CO 0.00 -0.14 0.77 0.00 -1.34 0.00 0.00 175.55 174.85 3kqz s MET 177 N -0.15 0.97 -0.11 4.97 0.23 -1.18 -5.03 119.30 118.99 3kqz s MET 177 Ca -0.00 -0.10 -0.21 0.00 -1.03 0.00 0.00 55.69 54.35 3kqz s MET 177 Cb -0.11 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 3kqz s MET 177 CO 0.02 -0.37 0.60 -0.06 -2.03 0.00 0.00 175.02 173.17 3kqz s PHE 178 N -2.35 3.51 0.00 3.16 0.08 -1.26 -1.22 117.98 119.90 3kqz s PHE 178 Ca -0.02 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.07 3kqz s PHE 178 Cb -0.01 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 3kqz s PHE 178 CO -0.03 0.07 0.00 0.27 -0.10 0.00 0.00 175.22 175.43 3kqz n ASN 179 N 3.99 0.00 0.13 1.36 0.23 -0.16 -4.61 115.26 116.19 3kqz n ASN 179 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 3kqz n ASN 179 Cb 0.51 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.32 3kqz n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kqz h ASP 180 N 0.00 0.00 0.00 0.53 3.32 -1.95 -2.87 116.42 115.45 3kqz h ASP 180 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kqz h ASP 180 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kqz h ASP 180 CO 0.00 0.62 0.00 0.59 -1.72 0.00 0.00 179.24 178.73 3kqz n ASN 181 N -3.48 0.00 -3.83 6.45 3.02 -1.26 -4.81 115.26 111.34 3kqz n ASN 181 Ca 0.00 -1.27 -0.36 0.00 -0.03 0.00 0.00 54.58 52.91 3kqz n ASN 181 Cb 0.69 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.89 3kqz n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqz n LYS 182 N -0.58 -0.99 -3.99 3.52 2.85 -1.08 -4.98 118.16 112.92 3kqz n LYS 182 Ca 0.03 0.32 -0.26 0.00 -1.05 0.00 0.00 58.31 57.34 3kqz n LYS 182 Cb 0.01 -3.60 -0.17 0.00 -0.65 0.00 0.00 35.03 30.62 3kqz n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqz s ASN 183 N -3.54 2.07 -0.08 -5.58 0.02 -1.26 -4.87 114.94 101.70 3kqz s ASN 183 Ca 0.46 -0.29 -0.29 0.00 -1.02 0.00 0.00 52.86 51.71 3kqz s ASN 183 Cb -0.19 -0.81 -0.06 0.00 0.02 0.00 0.00 41.25 40.21 3kqz s ASN 183 CO 0.90 -0.10 1.77 -0.94 0.02 0.00 0.00 177.10 178.75 3kqz s SER 184 N 1.57 6.45 0.22 -1.22 1.04 -1.26 -0.99 113.70 119.50 3kqz s SER 184 Ca 0.02 2.17 0.10 0.00 0.48 0.00 0.00 55.95 58.73 3kqz s SER 184 Cb -0.13 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 3kqz s SER 184 CO -0.06 -1.12 -0.19 0.68 0.98 0.00 0.00 173.24 173.52 3kqz s VAL 185 N 4.77 2.14 -0.10 5.02 -7.23 -0.35 -4.97 120.40 119.68 3kqz s VAL 185 Ca 0.79 -2.16 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 3kqz s VAL 185 Cb -0.34 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 3kqz s VAL 185 CO 0.33 -0.35 -0.09 0.00 -0.31 0.00 0.00 175.10 174.68 3kqz s ALA 186 N -2.28 2.86 0.03 1.32 0.00 -1.23 -3.08 121.76 119.38 3kqz s ALA 186 Ca 0.23 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 3kqz s ALA 186 Cb -0.05 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3kqz s ALA 186 CO 0.10 0.41 0.07 0.08 0.00 0.00 0.00 175.76 176.42 3kqz s VAL 187 N -0.23 0.13 0.00 0.00 1.01 -0.47 -0.96 120.40 119.87 3kqz s VAL 187 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3kqz s VAL 187 Cb -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3kqz s VAL 187 CO 0.03 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.16 3kqz n GLY 188 N 0.96 1.27 3.14 4.51 0.00 0.53 0.19 105.19 115.78 3kqz n GLY 188 Ca -0.20 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3kqz n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqz s TYR 189 N -3.51 0.26 -0.11 1.61 1.13 -0.94 -0.83 117.35 114.96 3kqz s TYR 189 Ca 0.00 -0.67 0.03 0.00 -1.41 0.00 0.00 57.07 55.02 3kqz s TYR 189 Cb 0.00 -0.18 0.00 0.00 -1.10 0.00 0.00 41.96 40.69 3kqz s TYR 189 CO 0.00 -0.43 -0.23 0.08 -2.51 0.00 0.00 175.55 172.46 3kqz s VAL 190 N -3.38 2.05 0.12 -3.49 1.01 -0.31 -2.01 120.40 114.39 3kqz s VAL 190 Ca 0.02 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 3kqz s VAL 190 Cb 0.03 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 3kqz s VAL 190 CO -0.08 0.55 1.29 -0.83 0.00 0.00 0.00 175.10 176.03 3kqz s GLY 191 N 0.53 2.28 -0.02 4.51 0.00 0.26 -2.56 107.32 112.32 3kqz s GLY 191 Ca -0.14 1.00 0.11 0.00 0.00 0.00 0.00 44.72 45.69 3kqz s GLY 191 CO 0.05 2.14 1.26 0.00 0.00 0.00 0.00 173.10 176.55 3kqz n GLY 193 N 0.38 -1.03 0.16 0.00 0.00 -0.36 -4.59 105.19 99.75 3kqz n GLY 193 Ca 0.12 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.56 3kqz n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kqz n SER 194 N 0.21 1.50 -4.19 1.61 7.64 -1.26 -2.01 113.62 117.11 3kqz n SER 194 Ca 0.00 -1.32 -0.35 0.00 1.01 0.00 0.00 58.87 58.22 3kqz n SER 194 Cb 0.00 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 3kqz n SER 194 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kqz s VAL 195 N -0.44 3.00 0.65 0.44 1.01 -1.26 -2.00 120.40 121.79 3kqz s VAL 195 Ca 0.05 -1.21 0.41 0.00 0.00 0.00 0.00 61.98 61.23 3kqz s VAL 195 Cb 0.03 -2.64 0.42 0.00 0.00 0.00 0.00 36.38 34.19 3kqz s VAL 195 CO 0.05 0.02 2.33 0.00 0.00 0.00 0.00 175.10 177.50 3kqz h ALA 196 N 8.02 1.15 -2.94 5.51 0.00 -1.93 -3.18 119.26 125.89 3kqz h ALA 196 Ca -0.26 -0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.95 3kqz h ALA 196 Cb 1.08 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.52 3kqz h ALA 196 CO 0.55 -0.02 -0.17 0.16 0.00 0.00 0.00 179.25 179.77 3kqz s ASP 197 N -5.39 5.79 0.28 0.00 3.84 -1.26 -4.28 116.67 115.65 3kqz s ASP 197 Ca -0.05 -3.46 -0.30 0.00 -0.00 0.00 0.00 52.55 48.74 3kqz s ASP 197 Cb 0.13 -1.90 -0.12 0.00 -1.38 0.00 0.00 42.92 39.66 3kqz s ASP 197 CO 0.44 -0.24 1.59 0.18 -0.00 0.00 0.00 175.17 177.13 3kqz n LEU 198 N 2.69 4.20 -4.85 2.11 7.99 -1.20 -4.99 117.00 122.94 3kqz n LEU 198 Ca 0.17 1.14 -0.29 0.00 -0.01 0.00 0.00 56.01 57.02 3kqz n LEU 198 Cb 0.37 -1.57 0.16 0.00 -0.11 0.00 0.00 43.42 42.27 3kqz n LEU 198 CO 0.35 0.08 0.79 -0.94 -1.51 0.00 0.00 177.39 176.17 3kqz s SER 199 N 0.52 3.20 0.06 -1.43 1.04 -1.26 -4.80 113.70 111.02 3kqz s SER 199 Ca 0.65 0.56 -0.22 0.00 0.48 0.00 0.00 55.95 57.41 3kqz s SER 199 Cb -0.51 -0.82 -0.11 0.00 0.10 0.00 0.00 66.02 64.68 3kqz s SER 199 CO 0.48 -2.71 1.35 -0.08 0.98 0.00 0.00 173.24 173.26 3kqz h GLU 200 N -1.61 -0.58 0.00 4.02 4.81 -1.97 -1.10 114.58 118.15 3kqz h GLU 200 Ca -0.46 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3kqz h GLU 200 Cb 1.28 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 3kqz h GLU 200 CO 0.48 -0.38 -0.02 0.00 -0.73 0.00 0.00 179.01 178.35 3kqz h ALA 201 N -1.14 1.66 -0.20 2.92 0.00 -1.95 -1.54 119.26 119.01 3kqz h ALA 201 Ca -0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kqz h ALA 201 Cb 0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kqz h ALA 201 CO -0.08 0.03 -0.20 -0.44 0.00 0.00 0.00 179.25 178.56 3kqz h ASP 202 N 0.00 0.52 -0.47 0.00 3.45 -1.88 -2.49 116.42 115.55 3kqz h ASP 202 Ca -0.00 -0.48 0.06 0.00 0.43 0.00 0.00 57.03 57.03 3kqz h ASP 202 Cb 0.05 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 38.62 3kqz h ASP 202 CO 0.00 0.90 0.18 -0.03 -1.57 0.00 0.00 179.24 178.72 3kqz h MET 203 N 0.15 0.36 -0.64 3.56 4.05 -0.25 0.23 114.93 122.40 3kqz h MET 203 Ca 0.03 -0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 3kqz h MET 203 Cb 0.75 -0.08 -0.11 0.00 -0.80 0.00 0.00 31.60 31.36 3kqz h MET 203 CO 0.05 0.24 -0.03 -0.22 0.23 0.00 0.00 176.91 177.18 3kqz h LYS 204 N 0.37 0.09 0.00 0.39 3.64 -1.29 0.15 116.57 119.92 3kqz h LYS 204 Ca 0.22 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3kqz h LYS 204 Cb 0.20 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3kqz h LYS 204 CO -0.21 0.06 -0.26 0.00 -2.27 0.00 0.00 179.45 176.77 3kqz h ARG 205 N 0.09 0.00 0.24 1.90 3.08 -0.55 0.21 114.38 119.35 3kqz h ARG 205 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3kqz h ARG 205 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3kqz h ARG 205 CO -0.58 0.26 -0.11 0.28 -1.07 0.00 0.00 179.97 178.75 3kqz h VAL 206 N 0.00 0.80 -0.43 2.04 2.07 0.32 -2.84 116.25 118.21 3kqz h VAL 206 Ca -0.00 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.85 3kqz h VAL 206 Cb 0.48 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3kqz h VAL 206 CO 0.03 0.15 -0.01 0.58 0.02 0.00 0.00 177.57 178.34 3kqz h VAL 207 N -0.73 0.66 -0.96 2.57 2.07 -0.02 -0.02 116.25 119.82 3kqz h VAL 207 Ca -0.03 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.61 3kqz h VAL 207 Cb 0.49 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 3kqz h VAL 207 CO 0.05 0.02 0.61 -0.07 0.02 0.00 0.00 177.57 178.20 3kqz h LEU 208 N 0.09 0.76 -0.36 2.57 -0.00 -0.72 0.15 115.31 117.81 3kqz h LEU 208 Ca 0.21 0.06 -0.09 0.00 -0.00 0.00 0.00 57.88 58.06 3kqz h LEU 208 Cb 0.31 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 3kqz h LEU 208 CO -0.36 0.36 -0.11 0.28 -0.00 0.00 0.00 178.44 178.61 3kqz h SER 209 N 0.79 0.72 -0.99 -0.43 0.02 -0.85 -2.29 113.55 110.53 3kqz h SER 209 Ca 0.50 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3kqz h SER 209 Cb 0.72 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 3kqz h SER 209 CO -0.27 0.93 0.65 -0.07 -1.14 0.00 0.00 176.83 176.93 3kqz h LEU 210 N 0.51 1.12 -1.07 5.07 3.38 0.56 -2.31 115.31 122.56 3kqz h LEU 210 Ca 0.09 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kqz h LEU 210 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3kqz h LEU 210 CO 0.04 0.79 -0.45 0.58 0.09 0.00 0.00 178.44 179.49 3kqz h VAL 211 N 1.31 1.26 -0.48 1.22 2.07 -0.64 -1.74 116.25 119.25 3kqz h VAL 211 Ca 0.37 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3kqz h VAL 211 Cb -0.11 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3kqz h VAL 211 CO -0.09 0.44 0.09 0.74 0.02 0.00 0.00 177.57 178.77 3kqz h THR 212 N 0.00 1.22 -0.01 2.57 2.02 -0.84 -0.64 112.91 117.23 3kqz h THR 212 Ca -0.00 -0.80 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 3kqz h THR 212 Cb 0.83 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3kqz h THR 212 CO 0.06 0.29 -0.67 0.24 0.37 0.00 0.00 175.52 175.81 3kqz h MET 213 N 0.71 0.04 0.00 6.66 2.07 -1.17 -2.80 114.93 120.44 3kqz h MET 213 Ca 0.16 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.72 3kqz h MET 213 Cb 0.30 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.03 3kqz h MET 213 CO 0.00 0.69 -0.18 -0.07 1.07 0.00 0.00 176.91 178.42 3kqz h LEU 214 N 0.03 0.00 0.00 1.22 3.38 -0.48 -3.26 115.31 116.20 3kqz h LEU 214 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3kqz h LEU 214 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 3kqz h LEU 214 CO 0.09 0.18 -1.51 0.45 0.09 0.00 0.00 178.44 177.74 3kqz h HIS 215 N 0.00 0.00 -0.80 1.13 3.86 -1.04 -3.35 115.15 114.94 3kqz h HIS 215 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3kqz h HIS 215 Cb 0.89 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.32 3kqz h HIS 215 CO 0.00 0.93 0.39 -0.44 0.86 0.00 0.00 177.93 179.67 3kqz h ASP 216 N 0.00 1.05 -4.38 2.45 3.45 -1.54 -3.46 116.42 113.99 3kqz h ASP 216 Ca -0.21 -0.13 -0.36 0.00 0.43 0.00 0.00 57.03 56.76 3kqz h ASP 216 Cb 1.90 -0.27 -0.24 0.00 -0.56 0.00 0.00 39.33 40.15 3kqz h ASP 216 CO 0.08 0.89 -0.76 0.54 -1.57 0.00 0.00 179.24 178.42 3kqz s ASN 217 N -6.23 1.14 -0.26 6.45 6.03 -1.26 -5.11 114.94 115.71 3kqz s ASN 217 Ca -0.13 -0.41 -0.29 0.00 -1.03 0.00 0.00 52.86 51.01 3kqz s ASN 217 Cb 0.16 -0.05 0.01 0.00 -3.03 0.00 0.00 41.25 38.34 3kqz s ASN 217 CO 0.82 -0.04 1.12 -0.54 -2.03 0.00 0.00 177.10 176.43 3kqz s LYS 218 N -1.06 4.14 0.01 3.55 1.02 -1.26 -4.90 119.74 121.25 3kqz s LYS 218 Ca -0.02 1.29 0.02 0.00 0.02 0.00 0.00 55.97 57.28 3kqz s LYS 218 Cb -0.07 -3.73 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 3kqz s LYS 218 CO 0.01 -0.80 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.05 3kqz s LEU 219 N 3.56 2.10 -0.10 3.17 1.43 -1.26 -5.03 118.68 122.56 3kqz s LEU 219 Ca 0.48 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3kqz s LEU 219 Cb -0.15 -0.28 -0.26 0.00 0.03 0.00 0.00 46.19 45.54 3kqz s LEU 219 CO 0.13 -0.02 0.46 0.77 0.23 0.00 0.00 176.35 177.92 3kqz h SER 220 N 5.42 0.33 -3.85 2.29 4.64 -1.94 -3.29 113.55 117.16 3kqz h SER 220 Ca -0.31 -0.73 -0.38 0.00 -0.47 0.00 0.00 61.79 59.90 3kqz h SER 220 Cb 1.19 -0.11 -0.30 0.00 -0.31 0.00 0.00 62.40 62.88 3kqz h SER 220 CO 0.46 1.65 -0.77 -0.75 -0.87 0.00 0.00 176.83 176.56 3kqz s LYS 221 N -2.57 0.67 -0.10 4.77 2.20 -1.26 0.10 119.74 123.55 3kqz s LYS 221 Ca -0.18 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 3kqz s LYS 221 Cb 0.07 -0.65 -0.02 0.00 -1.51 0.00 0.00 37.83 35.71 3kqz s LYS 221 CO 0.79 0.10 -0.10 -1.17 -0.36 0.00 0.00 175.35 174.61 3kqz s LEU 222 N 0.10 2.95 -0.12 5.43 2.96 -0.08 -0.74 118.68 129.18 3kqz s LEU 222 Ca -0.01 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3kqz s LEU 222 Cb -0.06 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3kqz s LEU 222 CO -0.00 0.27 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.19 3kqz s THR 223 N -0.26 2.22 -0.21 3.68 2.01 0.17 -0.79 115.64 122.46 3kqz s THR 223 Ca 0.03 -0.95 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 3kqz s THR 223 Cb -0.13 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.53 3kqz s THR 223 CO 0.03 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 3kqz s VAL 224 N 0.48 2.51 -0.37 3.82 1.01 0.16 -0.39 120.40 127.63 3kqz s VAL 224 Ca -0.14 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 3kqz s VAL 224 Cb -0.17 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 3kqz s VAL 224 CO 0.06 0.37 0.29 -0.69 0.00 0.00 0.00 175.10 175.13 3kqz s VAL 225 N 1.31 5.24 -0.85 2.92 1.01 0.09 -0.39 120.40 129.74 3kqz s VAL 225 Ca 0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 3kqz s VAL 225 Cb -0.15 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3kqz s VAL 225 CO -0.08 -0.15 1.36 -0.36 0.00 0.00 0.00 175.10 175.87 3kqz s PHE 226 N 1.79 2.37 -0.39 5.22 0.40 0.28 -1.29 117.98 126.35 3kqz s PHE 226 Ca 0.07 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3kqz s PHE 226 Cb -0.18 -4.65 0.43 0.00 0.51 0.00 0.00 43.02 39.14 3kqz s PHE 226 CO 0.11 -2.02 1.81 0.39 0.70 0.00 0.00 175.22 176.21 3kqz n GLU 227 N 9.17 2.04 -4.26 0.44 1.02 -0.86 -4.69 120.64 123.50 3kqz n GLU 227 Ca 0.16 -2.29 -0.14 0.00 -0.02 0.00 0.00 57.16 54.86 3kqz n GLU 227 Cb 0.50 -1.90 -0.10 0.00 -0.02 0.00 0.00 31.44 29.92 3kqz n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kqz s ILE 228 N -2.86 0.77 -0.12 -3.67 -4.36 -1.24 -4.35 121.20 105.37 3kqz s ILE 228 Ca 0.44 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.66 3kqz s ILE 228 Cb 0.36 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 3kqz s ILE 228 CO 0.05 -0.43 0.44 0.20 0.24 0.00 0.00 174.94 175.44 3kqz s ASN 229 N -3.21 6.65 -0.03 4.36 -0.87 -1.26 -4.98 114.94 115.60 3kqz s ASN 229 Ca 0.25 0.77 -0.00 0.00 -1.57 0.00 0.00 52.86 52.31 3kqz s ASN 229 Cb 0.06 -2.27 0.03 0.00 -0.02 0.00 0.00 41.25 39.05 3kqz s ASN 229 CO 0.05 0.03 0.02 0.68 -2.57 0.00 0.00 177.10 175.31 3kqz s VAL 230 N 0.55 0.06 1.13 1.60 -7.23 -1.26 -4.69 120.40 110.57 3kqz s VAL 230 Ca 0.24 0.18 -0.14 0.00 -1.81 0.00 0.00 61.98 60.45 3kqz s VAL 230 Cb -0.15 -0.20 0.26 0.00 0.56 0.00 0.00 36.38 36.85 3kqz s VAL 230 CO 0.09 0.13 1.05 1.51 -0.31 0.00 0.00 175.10 177.58 3kqz s ASP 231 N 1.21 1.41 0.26 4.85 3.84 -1.26 -4.77 116.67 122.21 3kqz s ASP 231 Ca -0.07 1.27 -0.04 0.00 -0.00 0.00 0.00 52.55 53.71 3kqz s ASP 231 Cb -0.13 -1.97 0.38 0.00 -1.38 0.00 0.00 42.92 39.82 3kqz s ASP 231 CO -0.02 -3.90 1.87 0.11 -0.00 0.00 0.00 175.17 173.23 3kqz h LYS 232 N -2.42 1.06 -0.63 2.11 1.57 -1.99 -1.91 116.57 114.36 3kqz h LYS 232 Ca -0.58 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.09 3kqz h LYS 232 Cb 1.34 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3kqz h LYS 232 CO 0.52 0.70 0.22 -0.97 -0.57 0.00 0.00 179.45 179.35 3kqz h ASN 233 N 1.09 0.90 1.62 0.86 -1.24 -1.94 -0.19 115.58 116.68 3kqz h ASN 233 Ca 0.41 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 57.18 3kqz h ASN 233 Cb 0.17 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3kqz h ASN 233 CO -0.17 0.85 -0.22 0.25 -1.29 0.00 0.00 177.43 176.85 3kqz h LEU 234 N 0.90 0.00 0.05 0.34 5.85 -1.84 -1.35 115.31 119.25 3kqz h LEU 234 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3kqz h LEU 234 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3kqz h LEU 234 CO -0.01 0.22 -0.02 0.15 -0.34 0.00 0.00 178.44 178.44 3kqz h PHE 235 N 0.00 -0.06 -0.26 1.25 3.57 -0.71 0.10 116.94 120.84 3kqz h PHE 235 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3kqz h PHE 235 Cb 1.09 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.78 3kqz h PHE 235 CO 0.00 0.45 -0.19 -0.09 -2.23 0.00 0.00 178.31 176.25 3kqz h ARG 236 N -0.60 -0.18 -0.87 1.11 2.43 -1.00 -1.21 114.38 114.06 3kqz h ARG 236 Ca -0.01 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 3kqz h ARG 236 Cb 0.53 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.04 3kqz h ARG 236 CO 0.01 -0.12 0.49 0.35 -1.51 0.00 0.00 179.97 179.20 3kqz h PHE 237 N -0.18 0.89 -0.47 2.20 3.57 -1.19 0.25 116.94 122.00 3kqz h PHE 237 Ca 0.14 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3kqz h PHE 237 Cb 0.40 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3kqz h PHE 237 CO -0.36 0.30 0.25 0.35 -2.23 0.00 0.00 178.31 176.62 3kqz h PHE 238 N 0.77 0.65 0.16 0.41 3.57 0.00 0.53 116.94 123.03 3kqz h PHE 238 Ca 0.45 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 3kqz h PHE 238 Cb 0.51 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3kqz h PHE 238 CO -0.06 0.50 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.37 3kqz h LEU 239 N 0.62 -0.18 -0.85 0.59 3.38 -0.25 -0.50 115.31 118.11 3kqz h LEU 239 Ca 0.16 -0.30 0.16 0.00 0.09 0.00 0.00 57.88 58.00 3kqz h LEU 239 Cb 0.07 0.05 -0.16 0.00 0.09 0.00 0.00 40.66 40.71 3kqz h LEU 239 CO -0.03 0.24 -0.25 -0.33 0.09 0.00 0.00 178.44 178.17 3kqz h GLU 240 N -0.65 -0.02 -0.14 1.13 5.08 -0.49 0.30 114.58 119.80 3kqz h GLU 240 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3kqz h GLU 240 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3kqz h GLU 240 CO 0.04 -0.01 -0.54 1.15 -1.00 0.00 0.00 179.01 178.64 3kqz h THR 241 N -0.02 1.34 -0.08 1.13 2.02 -0.85 -0.48 112.91 115.97 3kqz h THR 241 Ca 0.39 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 3kqz h THR 241 Cb 0.62 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3kqz h THR 241 CO -0.88 0.55 0.02 0.25 0.37 0.00 0.00 175.52 175.84 3kqz h LEU 242 N 0.31 0.13 0.03 2.58 5.85 0.74 0.08 115.31 125.03 3kqz h LEU 242 Ca 0.01 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3kqz h LEU 242 Cb 1.06 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3kqz h LEU 242 CO 0.09 0.31 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.19 3kqz h PHE 243 N -0.07 -0.15 0.02 1.25 0.04 -0.35 0.77 116.94 118.45 3kqz h PHE 243 Ca 0.03 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3kqz h PHE 243 Cb 0.23 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3kqz h PHE 243 CO 0.00 -0.09 -0.04 -0.92 -0.60 0.00 0.00 178.31 176.65 3kqz h TYR 244 N -0.12 -0.11 0.00 -0.55 3.20 -0.97 0.86 116.97 119.27 3kqz h TYR 244 Ca 0.01 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3kqz h TYR 244 Cb 0.13 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3kqz h TYR 244 CO -0.11 -0.07 -0.26 0.93 -1.64 0.00 0.00 178.16 177.00 3kqz h GLU 245 N -0.09 0.00 0.24 1.82 4.39 -0.88 -2.96 114.58 117.11 3kqz h GLU 245 Ca 0.01 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.39 3kqz h GLU 245 Cb 0.10 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3kqz h GLU 245 CO -0.03 0.26 -1.44 -0.92 -1.16 0.00 0.00 179.01 175.72 3kqz h TYR 246 N 0.00 0.93 -2.68 4.33 3.20 -0.28 -3.44 116.97 119.03 3kqz h TYR 246 Ca -0.00 -0.68 -0.52 0.00 3.14 0.00 0.00 58.73 60.67 3kqz h TYR 246 Cb 0.69 -0.04 0.06 0.00 1.54 0.00 0.00 36.73 38.98 3kqz h TYR 246 CO 0.00 1.55 1.00 1.41 -1.64 0.00 0.00 178.16 180.48 3kqz s MET 247 N -2.58 4.14 -0.09 1.82 1.75 0.25 -5.00 119.30 119.58 3kqz s MET 247 Ca -0.10 2.58 0.05 0.00 -1.25 0.00 0.00 55.69 56.96 3kqz s MET 247 Cb 0.04 -3.11 -0.00 0.00 2.84 0.00 0.00 34.83 34.60 3kqz s MET 247 CO 0.93 -0.74 -0.24 0.99 -0.65 0.00 0.00 175.02 175.31 3kqz s THR 248 N 1.24 2.12 -0.41 10.11 2.01 -1.26 -4.95 115.64 124.51 3kqz s THR 248 Ca 0.74 -1.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.56 3kqz s THR 248 Cb -0.49 -1.80 0.02 0.00 0.01 0.00 0.00 72.50 70.24 3kqz s THR 248 CO 0.32 0.56 0.45 -0.62 -0.69 0.00 0.00 174.62 174.64 3kqz s ASP 249 N 0.15 6.21 0.00 3.53 -1.08 -1.26 -4.88 116.67 119.34 3kqz s ASP 249 Ca -0.13 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 51.35 3kqz s ASP 249 Cb -0.16 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 3kqz s ASP 249 CO 0.07 -0.56 0.94 -0.62 0.52 0.00 0.00 175.17 175.52 3kqz n GLU 250 N 5.63 2.64 -0.29 4.34 -0.58 -1.26 -4.70 120.64 126.42 3kqz n GLU 250 Ca -0.07 -1.38 0.29 0.00 -0.42 0.00 0.00 57.16 55.58 3kqz n GLU 250 Cb 0.48 -0.94 0.66 0.00 -0.57 0.00 0.00 31.44 31.06 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqz h ARG 251 N 0.00 0.14 -0.39 3.49 3.08 -1.96 -2.39 114.38 116.34 3kqz h ARG 251 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kqz h ARG 251 Cb 0.55 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kqz h ARG 251 CO 0.00 0.09 0.00 1.19 -1.07 0.00 0.00 179.97 180.18 3kqz n PHE 252 N -4.36 0.94 -2.87 3.04 3.01 -1.26 -4.95 117.46 111.00 3kqz n PHE 252 Ca 0.24 -0.68 -0.29 0.00 1.01 0.00 0.00 57.45 57.73 3kqz n PHE 252 Cb 1.04 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 40.29 3kqz n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kqz s LYS 253 N -1.95 3.68 -0.10 -1.08 -0.14 -0.90 -5.25 119.74 114.00 3kqz s LYS 253 Ca 0.38 0.30 0.09 0.00 -1.36 0.00 0.00 55.97 55.39 3kqz s LYS 253 Cb 0.26 -2.43 0.44 0.00 -1.68 0.00 0.00 37.83 34.42 3kqz s LYS 253 CO 0.15 -0.04 1.23 -1.13 -0.76 0.00 0.00 175.35 174.80 3kqz n SER 254 N -1.53 3.30 0.00 2.83 3.41 -1.26 -5.08 113.62 115.29 3kqz n SER 254 Ca 0.01 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 3kqz n SER 254 Cb 0.54 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3kqz n SER 254 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kqz n TYR 263 N 0.45 0.00 -1.27 7.33 4.01 -1.26 -5.20 117.16 121.22 3kqz n TYR 263 Ca 0.15 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.54 3kqz n TYR 263 Cb 0.67 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.80 3kqz n TYR 263 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3kqz n ILE 264 N -0.18 2.54 0.19 -0.72 -5.35 -1.24 -4.87 119.36 109.73 3kqz n ILE 264 Ca 0.00 -0.32 0.08 0.00 -0.27 0.00 0.00 62.75 62.24 3kqz n ILE 264 Cb 0.00 -1.12 -0.12 0.00 -1.74 0.00 0.00 39.64 36.66 3kqz n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqz n LYS 265 N -2.24 0.82 -4.15 6.28 5.02 0.11 -4.60 118.16 119.41 3kqz n LYS 265 Ca 0.13 -0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 3kqz n LYS 265 Cb 0.50 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kqz s HIS 266 N -2.98 0.59 -0.17 2.13 3.76 -0.74 -0.31 115.29 117.58 3kqz s HIS 266 Ca -0.03 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 3kqz s HIS 266 Cb 0.11 -0.49 0.01 0.00 1.11 0.00 0.00 32.58 33.33 3kqz s HIS 266 CO 0.68 -0.10 -0.19 -1.17 -0.85 0.00 0.00 174.74 173.11 3kqz s LEU 267 N 0.47 2.22 -0.09 0.89 2.96 0.19 -0.90 118.68 124.42 3kqz s LEU 267 Ca -0.06 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 3kqz s LEU 267 Cb -0.09 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3kqz s LEU 267 CO -0.00 0.02 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.11 3kqz s GLY 268 N 1.18 1.61 -0.11 7.98 0.00 0.03 -0.22 107.32 117.79 3kqz s GLY 268 Ca 0.02 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3kqz s GLY 268 CO -0.09 -0.51 -0.14 0.14 0.00 0.00 0.00 173.10 172.50 3kqz s VAL 269 N -0.36 1.42 -0.24 1.40 1.01 0.31 0.39 120.40 124.33 3kqz s VAL 269 Ca 0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 3kqz s VAL 269 Cb -0.12 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3kqz s VAL 269 CO 0.02 0.43 0.10 -0.31 0.00 0.00 0.00 175.10 175.34 3kqz s TYR 270 N 1.07 3.15 -0.05 5.22 1.51 0.48 -0.17 117.35 128.56 3kqz s TYR 270 Ca -0.05 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 55.69 3kqz s TYR 270 Cb -0.15 -2.24 0.03 0.00 -0.11 0.00 0.00 41.96 39.49 3kqz s TYR 270 CO -0.03 -0.20 0.32 -1.50 -1.11 0.00 0.00 175.55 173.04 3kqz s ILE 271 N 1.37 0.04 0.28 2.71 2.07 -0.61 -0.56 121.20 126.50 3kqz s ILE 271 Ca 0.06 -0.32 -0.29 0.00 -1.41 0.00 0.00 60.65 58.68 3kqz s ILE 271 Cb -0.15 -0.57 -0.10 0.00 0.13 0.00 0.00 42.46 41.77 3kqz s ILE 271 CO 0.05 -0.18 1.19 0.21 -1.91 0.00 0.00 174.94 174.30 3kqz s ASN 272 N -0.84 7.07 -1.33 4.50 3.84 -1.26 -2.22 114.94 124.69 3kqz s ASN 272 Ca -0.09 2.41 -0.00 0.00 0.21 0.00 0.00 52.86 55.38 3kqz s ASN 272 Cb -0.04 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 3kqz s ASN 272 CO 0.03 -0.32 0.63 0.59 -2.79 0.00 0.00 177.10 175.25 3kqz n ASN 273 N 1.32 -0.95 -0.33 -4.21 3.02 -1.26 -4.90 115.26 107.96 3kqz n ASN 273 Ca 0.00 -0.86 0.18 0.00 -0.03 0.00 0.00 54.58 53.87 3kqz n ASN 273 Cb 0.44 -3.82 0.38 0.00 -0.61 0.00 0.00 39.78 36.17 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqz h ALA 274 N 0.86 1.69 0.00 5.41 0.00 -1.80 -1.49 119.26 123.93 3kqz h ALA 274 Ca -0.62 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kqz h ALA 274 Cb 1.36 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3kqz h ALA 274 CO 0.58 -0.40 -0.00 -0.44 0.00 0.00 0.00 179.25 178.98 3kqz h ASP 275 N 0.42 0.00 0.14 0.00 3.32 -1.90 -0.66 116.42 117.73 3kqz h ASP 275 Ca 0.64 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.56 3kqz h ASP 275 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3kqz h ASP 275 CO -0.55 0.00 -0.47 0.71 -1.72 0.00 0.00 179.24 177.22 3kqz h THR 276 N 0.00 1.32 0.00 0.35 1.35 -1.64 -3.34 112.91 110.96 3kqz h THR 276 Ca -0.00 -1.67 -0.17 0.00 -0.55 0.00 0.00 66.41 64.03 3kqz h THR 276 Cb 0.01 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.12 3kqz h THR 276 CO 0.00 0.51 -1.13 1.88 -0.25 0.00 0.00 175.52 176.53 3kqz h TYR 277 N 0.32 0.00 -0.90 4.73 0.05 -1.25 -3.36 116.97 116.55 3kqz h TYR 277 Ca 0.02 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.05 3kqz h TYR 277 Cb 0.94 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.54 3kqz h TYR 277 CO 0.03 0.65 0.32 0.87 -1.05 0.00 0.00 178.16 178.97 3kqz h LYS 278 N 0.00 0.25 -0.76 4.88 1.57 -1.49 0.35 116.57 121.38 3kqz h LYS 278 Ca -0.11 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.84 3kqz h LYS 278 Cb 1.59 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.80 3kqz h LYS 278 CO 0.06 0.17 0.52 0.93 -0.57 0.00 0.00 179.45 180.57 3kqz h GLU 279 N 0.26 0.17 0.00 3.15 5.08 -1.79 -1.18 114.58 120.27 3kqz h GLU 279 Ca 0.58 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.89 3kqz h GLU 279 Cb 1.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3kqz h GLU 279 CO -0.63 0.11 -0.20 0.93 -1.00 0.00 0.00 179.01 178.22 3kqz h GLU 280 N 0.18 0.00 0.40 2.33 4.39 -0.54 -3.33 114.58 118.00 3kqz h GLU 280 Ca 0.37 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 3kqz h GLU 280 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3kqz h GLU 280 CO -0.07 0.20 -0.38 0.28 -1.16 0.00 0.00 179.01 177.89 3kqz h VAL 281 N 0.00 0.23 0.00 3.13 2.07 -1.17 -0.09 116.25 120.42 3kqz h VAL 281 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kqz h VAL 281 Cb 1.00 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3kqz h VAL 281 CO 0.03 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.27 3kqz h GLU 282 N -0.79 0.00 -0.36 1.57 4.39 -1.74 -2.34 114.58 115.31 3kqz h GLU 282 Ca -0.03 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 3kqz h GLU 282 Cb 0.70 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3kqz h GLU 282 CO -0.05 0.02 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.39 3kqz h LYS 283 N 0.00 0.78 -0.60 2.33 3.64 -1.60 -2.35 116.57 118.77 3kqz h LYS 283 Ca -0.00 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 3kqz h LYS 283 Cb 0.74 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3kqz h LYS 283 CO 0.00 0.97 0.32 0.00 -2.27 0.00 0.00 179.45 178.48 3kqz h ALA 284 N 0.78 0.77 -0.72 5.00 0.00 -0.67 0.05 119.26 124.47 3kqz h ALA 284 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kqz h ALA 284 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3kqz h ALA 284 CO 0.06 0.29 0.24 -0.09 0.00 0.00 0.00 179.25 179.75 3kqz h ARG 285 N 0.81 1.11 0.11 0.00 2.43 -1.40 1.04 114.38 118.48 3kqz h ARG 285 Ca 0.21 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kqz h ARG 285 Cb 0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3kqz h ARG 285 CO -0.03 0.94 -0.05 0.28 -1.51 0.00 0.00 179.97 179.60 3kqz h VAL 286 N 1.06 1.05 -0.67 0.20 2.07 -1.14 -1.79 116.25 117.03 3kqz h VAL 286 Ca 0.23 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.16 3kqz h VAL 286 Cb 0.29 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3kqz h VAL 286 CO -0.01 0.16 0.40 1.88 0.02 0.00 0.00 177.57 180.01 3kqz h TYR 287 N -0.45 0.73 -0.56 1.57 -1.99 -0.39 0.77 116.97 116.66 3kqz h TYR 287 Ca -0.01 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.78 3kqz h TYR 287 Cb 0.37 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.82 3kqz h TYR 287 CO 0.02 0.38 0.30 -0.92 -0.00 0.00 0.00 178.16 177.95 3kqz h TYR 288 N 0.75 0.56 -0.15 4.88 3.20 0.12 -1.27 116.97 125.05 3kqz h TYR 288 Ca 0.29 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.05 3kqz h TYR 288 Cb 0.11 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3kqz h TYR 288 CO -0.06 0.28 -0.46 0.35 -1.64 0.00 0.00 178.16 176.63 3kqz h PHE 289 N 0.58 0.45 -0.37 -3.82 3.57 -0.27 0.23 116.94 117.30 3kqz h PHE 289 Ca 0.24 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3kqz h PHE 289 Cb 0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3kqz h PHE 289 CO -0.09 0.77 0.24 0.78 -2.23 0.00 0.00 178.31 177.78 3kqz h GLY 290 N 1.20 0.53 0.88 2.40 0.00 -0.13 0.33 103.07 108.29 3kqz h GLY 290 Ca 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3kqz h GLY 290 CO 0.08 0.20 0.08 -0.84 0.00 0.00 0.00 176.54 176.05 3kqz h THR 291 N 0.50 1.19 -0.23 4.70 2.02 -1.10 -1.91 112.91 118.09 3kqz h THR 291 Ca 0.14 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 3kqz h THR 291 Cb -0.04 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3kqz h THR 291 CO -0.03 0.20 -0.30 0.22 0.37 0.00 0.00 175.52 175.98 3kqz h TYR 292 N 0.21 0.52 -0.25 3.16 3.20 -0.28 0.69 116.97 124.23 3kqz h TYR 292 Ca 0.08 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3kqz h TYR 292 Cb 0.23 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3kqz h TYR 292 CO 0.00 0.71 0.10 -0.92 -1.64 0.00 0.00 178.16 176.41 3kqz h TYR 293 N 0.40 0.37 -0.25 -3.82 3.20 -0.19 -0.32 116.97 116.36 3kqz h TYR 293 Ca 0.05 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3kqz h TYR 293 Cb 0.72 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3kqz h TYR 293 CO 0.02 0.39 0.10 0.00 -1.64 0.00 0.00 178.16 177.03 3kqz h ALA 294 N 0.95 0.33 -0.75 1.82 0.00 -1.09 -2.19 119.26 118.32 3kqz h ALA 294 Ca 0.08 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3kqz h ALA 294 Cb 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3kqz h ALA 294 CO -0.01 -0.07 0.39 1.03 0.00 0.00 0.00 179.25 180.59 3kqz h SER 295 N 0.26 0.52 -0.78 0.00 0.87 -0.74 0.17 113.55 113.84 3kqz h SER 295 Ca 0.08 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3kqz h SER 295 Cb 0.19 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 3kqz h SER 295 CO -0.01 0.29 0.49 1.56 -0.53 0.00 0.00 176.83 178.63 3kqz h GLN 296 N 0.65 1.05 -0.51 2.24 4.20 -0.76 0.30 115.11 122.29 3kqz h GLN 296 Ca 0.37 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.88 3kqz h GLN 296 Cb 0.39 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3kqz h GLN 296 CO -0.27 0.72 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.40 3kqz h LEU 297 N 1.07 0.98 0.10 1.46 3.38 -0.63 -2.13 115.31 119.53 3kqz h LEU 297 Ca 0.28 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kqz h LEU 297 Cb -0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.41 3kqz h LEU 297 CO -0.06 1.11 -0.05 0.40 0.09 0.00 0.00 178.44 179.93 3kqz h ILE 298 N 0.86 1.08 0.00 1.22 2.04 -0.45 -3.20 117.51 119.05 3kqz h ILE 298 Ca 0.13 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3kqz h ILE 298 Cb 0.70 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3kqz h ILE 298 CO 0.05 0.17 -0.19 0.00 0.00 0.00 0.00 178.15 178.18 3kqz h ALA 299 N 0.40 1.29 -2.26 1.87 0.00 -0.98 -3.41 119.26 116.17 3kqz h ALA 299 Ca -0.01 -0.18 -0.57 0.00 0.00 0.00 0.00 54.91 54.15 3kqz h ALA 299 Cb 0.38 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.17 3kqz h ALA 299 CO 0.02 0.24 1.08 0.00 0.00 0.00 0.00 179.25 180.59 3kqz n ALA 300 N -2.33 1.47 -1.35 0.00 0.00 -0.80 -4.93 120.51 112.57 3kqz n ALA 300 Ca -0.02 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 3kqz n ALA 300 Cb 0.30 -2.54 0.10 0.00 0.00 0.00 0.00 19.45 17.32 3kqz n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqz s PRO 301 N 3.24 2.04 0.14 0.00 0.02 -1.26 -4.54 135.00 134.64 3kqz s PRO 301 Ca 0.87 0.93 0.20 0.00 0.02 0.00 0.00 61.00 63.01 3kqz s PRO 301 Cb -0.58 -1.89 0.83 0.00 0.02 0.00 0.00 34.50 32.88 3kqz s PRO 301 CO 0.43 -1.73 1.61 0.43 -0.33 0.00 0.00 177.00 177.42 3kqz n SER 302 N -3.55 0.38 0.17 2.53 7.64 -1.26 0.56 113.62 120.09 3kqz n SER 302 Ca 0.08 0.59 0.07 0.00 1.01 0.00 0.00 58.87 60.62 3kqz n SER 302 Cb 0.54 -0.67 0.08 0.00 -1.01 0.00 0.00 64.21 63.15 3kqz n SER 302 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3kqz h ASN 303 N 0.00 0.00 0.07 6.43 -1.07 -1.93 -3.33 115.58 115.76 3kqz h ASN 303 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.05 3kqz h ASN 303 Cb 0.33 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.55 3kqz h ASN 303 CO 0.00 0.25 -1.74 -1.22 0.07 0.00 0.00 177.43 174.80 3kqz n TYR 304 N -3.12 1.12 -3.50 4.14 4.01 0.61 -4.46 117.16 115.98 3kqz n TYR 304 Ca 0.02 0.32 -0.42 0.00 -0.16 0.00 0.00 57.90 57.66 3kqz n TYR 304 Cb 0.64 -1.13 -0.07 0.00 -0.31 0.00 0.00 39.34 38.47 3kqz n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ASN 306 N 2.30 3.27 0.45 0.00 2.20 -1.26 -4.41 114.94 117.49 3kqz s ASN 306 Ca 0.10 -1.72 0.14 0.00 -0.94 0.00 0.00 52.86 50.44 3kqz s ASN 306 Cb -0.22 0.62 1.02 0.00 -2.00 0.00 0.00 41.25 40.67 3kqz s ASN 306 CO -0.03 -0.97 2.01 -0.65 -2.94 0.00 0.00 177.10 174.52 3kqz h PRO 307 N 1.60 0.02 0.04 3.55 0.11 -1.87 0.29 132.00 135.75 3kqz h PRO 307 Ca -0.37 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 3kqz h PRO 307 Cb 1.29 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 3kqz h PRO 307 CO 0.60 0.17 -0.51 0.28 -0.21 0.00 0.00 178.00 178.33 3kqz h VAL 308 N 0.02 1.53 -0.03 3.15 2.07 -1.95 -1.89 116.25 119.15 3kqz h VAL 308 Ca 0.00 -2.22 -0.13 0.00 0.82 0.00 0.00 66.70 65.18 3kqz h VAL 308 Cb 0.28 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3kqz h VAL 308 CO 0.02 0.62 -0.58 0.77 0.02 0.00 0.00 177.57 178.43 3kqz h SER 309 N -0.40 0.12 -0.01 0.57 4.64 -1.78 -0.49 113.55 116.20 3kqz h SER 309 Ca -0.08 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 3kqz h SER 309 Cb 1.30 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kqz h SER 309 CO 0.10 0.67 -0.02 0.25 -0.87 0.00 0.00 176.83 176.96 3kqz h LEU 310 N 0.08 0.04 -1.71 5.97 5.85 -0.47 -1.77 115.31 123.30 3kqz h LEU 310 Ca -0.00 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 3kqz h LEU 310 Cb 1.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3kqz h LEU 310 CO 0.08 0.56 -0.18 0.77 -0.34 0.00 0.00 178.44 179.33 3kqz h SER 311 N -0.47 0.00 -0.42 1.25 4.64 -1.18 0.54 113.55 117.91 3kqz h SER 311 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3kqz h SER 311 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3kqz h SER 311 CO 0.00 0.18 0.16 0.78 -0.87 0.00 0.00 176.83 177.09 3kqz h ASN 312 N 0.00 0.63 -0.06 4.97 2.35 -0.99 -2.02 115.58 120.46 3kqz h ASN 312 Ca -0.00 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.48 3kqz h ASN 312 Cb 0.37 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3kqz h ASN 312 CO 0.02 0.60 -0.62 0.00 -1.65 0.00 0.00 177.43 175.78 3kqz h ALA 313 N 1.50 0.54 -0.48 -0.83 0.00 -0.01 -1.47 119.26 118.50 3kqz h ALA 313 Ca 0.16 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3kqz h ALA 313 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3kqz h ALA 313 CO -0.01 0.70 0.22 0.00 0.00 0.00 0.00 179.25 180.16 3kqz h ALA 314 N 0.80 0.60 0.02 0.00 0.00 -1.11 0.14 119.26 119.70 3kqz h ALA 314 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kqz h ALA 314 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kqz h ALA 314 CO 0.12 -0.14 -0.01 0.28 0.00 0.00 0.00 179.25 179.50 3kqz h VAL 315 N 0.44 1.07 -0.81 0.00 2.07 -1.07 0.98 116.25 118.93 3kqz h VAL 315 Ca 0.21 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3kqz h VAL 315 Cb 0.15 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3kqz h VAL 315 CO -0.17 0.07 0.52 -0.08 0.02 0.00 0.00 177.57 177.94 3kqz h GLU 316 N -0.15 1.01 -0.32 1.57 4.81 -1.07 0.44 114.58 120.87 3kqz h GLU 316 Ca -0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3kqz h GLU 316 Cb 0.14 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3kqz h GLU 316 CO 0.00 0.67 0.09 1.25 -0.73 0.00 0.00 179.01 180.29 3kqz h LEU 317 N 1.04 0.47 -1.65 1.64 5.85 -0.34 0.28 115.31 122.59 3kqz h LEU 317 Ca 0.31 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3kqz h LEU 317 Cb -0.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3kqz h LEU 317 CO -0.10 0.56 0.40 0.00 -0.34 0.00 0.00 178.44 178.97 3kqz h ALA 318 N 0.92 2.04 0.20 1.25 0.00 0.26 -1.68 119.26 122.26 3kqz h ALA 318 Ca 0.10 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 3kqz h ALA 318 Cb 0.27 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.01 3kqz h ALA 318 CO -0.00 -0.18 -1.37 1.96 0.00 0.00 0.00 179.25 179.65 3kqz h GLN 319 N 0.39 0.51 -0.99 0.00 4.20 0.57 -2.37 115.11 117.41 3kqz h GLN 319 Ca 0.28 -0.81 0.01 0.00 0.06 0.00 0.00 58.65 58.19 3kqz h GLN 319 Cb 0.58 0.29 -0.05 0.00 0.30 0.00 0.00 27.48 28.60 3kqz h GLN 319 CO -0.08 1.38 0.66 0.87 -0.67 0.00 0.00 178.83 180.99 3kqz h LYS 320 N 0.16 1.30 0.00 1.46 1.57 -0.57 -3.42 116.57 117.08 3kqz h LYS 320 Ca -0.22 -0.08 -0.29 0.00 -1.87 0.00 0.00 60.65 58.20 3kqz h LYS 320 Cb 2.07 -0.29 0.09 0.00 0.08 0.00 0.00 32.23 34.17 3kqz h LYS 320 CO 0.25 0.86 0.18 1.28 -0.57 0.00 0.00 179.45 181.45 3kqz n LEU 321 N -4.40 0.00 -2.81 2.94 4.77 -0.67 -4.98 117.00 111.85 3kqz n LEU 321 Ca 0.12 -1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 54.63 3kqz n LEU 321 Cb 0.02 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3kqz n LEU 321 CO 0.37 -0.97 0.68 0.59 -1.33 0.00 0.00 177.39 176.72 3kqz n ASN 322 N -3.26 5.71 -4.75 -1.43 4.13 -1.25 -4.86 115.26 109.55 3kqz n ASN 322 Ca 0.11 -3.74 -0.39 0.00 1.68 0.00 0.00 54.58 52.23 3kqz n ASN 322 Cb 0.38 -0.72 -0.05 0.00 -1.54 0.00 0.00 39.78 37.85 3kqz n ASN 322 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kqz s LEU 323 N -3.76 4.43 0.62 3.41 1.43 -0.90 -4.98 118.68 118.93 3kqz s LEU 323 Ca 0.48 1.33 -0.19 0.00 -1.03 0.00 0.00 54.13 54.72 3kqz s LEU 323 Cb 0.36 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 3kqz s LEU 323 CO -0.23 0.04 1.29 -1.61 0.23 0.00 0.00 176.35 176.07 3kqz s GLU 324 N -0.07 2.71 -0.08 1.70 8.01 -1.03 -4.64 118.70 125.31 3kqz s GLU 324 Ca 0.36 2.06 -0.22 0.00 0.01 0.00 0.00 54.97 57.17 3kqz s GLU 324 Cb -0.20 -1.92 0.05 0.00 -4.31 0.00 0.00 34.13 27.75 3kqz s GLU 324 CO 0.21 -1.47 0.51 1.52 0.01 0.00 0.00 175.26 176.03 3kqz s TYR 325 N -1.41 -0.47 0.03 1.61 -0.85 -1.26 -0.79 117.35 114.21 3kqz s TYR 325 Ca 0.80 0.91 0.02 0.00 -0.52 0.00 0.00 57.07 58.28 3kqz s TYR 325 Cb -0.37 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.19 3kqz s TYR 325 CO 0.40 -0.44 -0.06 -1.59 -1.52 0.00 0.00 175.55 172.33 3kqz s LYS 326 N -0.82 0.46 -0.25 -3.49 -2.85 -0.62 -5.02 119.74 107.14 3kqz s LYS 326 Ca -0.09 -0.61 -0.06 0.00 -1.00 0.00 0.00 55.97 54.21 3kqz s LYS 326 Cb -0.03 -0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.49 3kqz s LYS 326 CO 0.05 0.04 0.04 0.42 0.10 0.00 0.00 175.35 176.00 3kqz s ILE 327 N -1.13 3.94 -0.01 3.79 -1.09 -1.26 -1.98 121.20 123.45 3kqz s ILE 327 Ca -0.09 -0.40 -0.24 0.00 -2.23 0.00 0.00 60.65 57.70 3kqz s ILE 327 Cb -0.08 -2.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 3kqz s ILE 327 CO 0.00 0.30 0.71 -0.76 -1.23 0.00 0.00 174.94 173.97 3kqz s LEU 328 N 1.55 4.39 0.57 2.97 1.02 0.65 -4.88 118.68 124.94 3kqz s LEU 328 Ca 0.05 1.30 0.06 0.00 0.02 0.00 0.00 54.13 55.56 3kqz s LEU 328 Cb -0.15 -3.12 0.06 0.00 0.02 0.00 0.00 46.19 42.99 3kqz s LEU 328 CO 0.01 -0.03 0.51 -0.83 0.02 0.00 0.00 176.35 176.03 3kqz s GLY 329 N 0.29 2.23 0.25 -3.19 0.00 -1.26 -0.38 107.32 105.25 3kqz s GLY 329 Ca 0.37 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.65 3kqz s GLY 329 CO 0.20 -1.90 1.74 -2.08 0.00 0.00 0.00 173.10 171.05 3kqz h VAL 330 N 0.56 0.67 -0.73 1.40 2.07 -1.96 0.15 116.25 118.42 3kqz h VAL 330 Ca -0.34 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 3kqz h VAL 330 Cb 1.30 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3kqz h VAL 330 CO 0.53 0.09 0.20 0.50 0.02 0.00 0.00 177.57 178.90 3kqz h LYS 331 N 0.47 1.15 -0.19 1.57 3.11 -1.95 0.53 116.57 121.26 3kqz h LYS 331 Ca 0.42 -0.26 -0.21 0.00 -2.81 0.00 0.00 60.65 57.79 3kqz h LYS 331 Cb 0.62 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.70 3kqz h LYS 331 CO -0.39 1.00 -0.70 0.93 -2.81 0.00 0.00 179.45 177.47 3kqz h GLU 332 N 1.10 0.78 -0.73 1.90 3.07 -1.53 -2.43 114.58 116.72 3kqz h GLU 332 Ca 0.23 -0.58 -0.01 0.00 -0.50 0.00 0.00 59.36 58.49 3kqz h GLU 332 Cb 0.35 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 3kqz h GLU 332 CO -0.00 1.20 0.40 -0.07 -1.40 0.00 0.00 179.01 179.14 3kqz h LEU 333 N 0.55 0.91 0.03 1.33 3.38 -0.38 0.25 115.31 121.38 3kqz h LEU 333 Ca -0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kqz h LEU 333 Cb 1.32 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3kqz h LEU 333 CO 0.14 0.75 -0.03 -0.33 0.09 0.00 0.00 178.44 179.07 3kqz h GLU 334 N 1.00 -0.06 -0.36 1.13 5.08 0.11 -1.66 114.58 119.82 3kqz h GLU 334 Ca 0.26 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3kqz h GLU 334 Cb 0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kqz h GLU 334 CO -0.04 -0.04 0.25 0.93 -1.00 0.00 0.00 179.01 179.11 3kqz h GLU 335 N -0.06 0.29 -0.04 2.33 5.08 -1.18 0.42 114.58 121.43 3kqz h GLU 335 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kqz h GLU 335 Cb 0.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3kqz h GLU 335 CO -0.01 0.20 0.00 1.28 -1.00 0.00 0.00 179.01 179.48 3kqz n LEU 336 N -4.48 1.02 -2.76 1.33 4.77 0.05 -4.92 117.00 112.01 3kqz n LEU 336 Ca 0.04 -0.37 -0.20 0.00 -0.03 0.00 0.00 56.01 55.46 3kqz n LEU 336 Cb 0.21 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3kqz n LEU 336 CO 0.35 0.18 0.05 0.29 -1.33 0.00 0.00 177.39 176.93 3kqz n LYS 337 N -0.18 -4.90 -2.12 3.23 5.02 0.14 -4.67 118.16 114.68 3kqz n LYS 337 Ca 0.19 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.84 3kqz n LYS 337 Cb 0.26 -5.41 -0.00 0.00 -0.02 0.00 0.00 35.03 29.87 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -3.79 3.84 0.19 1.97 2.81 -0.89 -2.24 117.12 119.01 3kqz n MET 338 Ca -0.07 -3.35 0.08 0.00 -1.81 0.00 0.00 57.70 52.55 3kqz n MET 338 Cb 0.59 -2.86 0.17 0.00 -0.71 0.00 0.00 33.22 30.41 3kqz n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqz h GLY 339 N 7.33 0.00 0.69 3.03 0.00 -1.71 0.11 103.07 112.51 3kqz h GLY 339 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 3kqz h GLY 339 CO 1.62 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 178.09 3kqz h ALA 340 N 1.77 0.15 -0.11 3.60 0.00 -1.81 -2.09 119.26 120.78 3kqz h ALA 340 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3kqz h ALA 340 Cb 1.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kqz h ALA 340 CO 0.03 -0.05 0.01 -0.92 0.00 0.00 0.00 179.25 178.32 3kqz h TYR 341 N -0.15 0.20 -0.35 0.00 3.20 -1.62 -2.91 116.97 115.34 3kqz h TYR 341 Ca 0.02 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3kqz h TYR 341 Cb 0.55 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3kqz h TYR 341 CO 0.08 0.41 0.09 -0.07 -1.64 0.00 0.00 178.16 177.03 3kqz h LEU 342 N -0.08 0.46 0.13 2.82 3.38 -1.05 -2.86 115.31 118.11 3kqz h LEU 342 Ca 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kqz h LEU 342 Cb 0.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kqz h LEU 342 CO 0.00 0.46 -0.07 0.28 0.09 0.00 0.00 178.44 179.20 3kqz h SER 343 N 0.50 -0.18 -0.89 -0.43 0.02 -1.19 -2.46 113.55 108.91 3kqz h SER 343 Ca 0.12 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.21 3kqz h SER 343 Cb 0.18 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 3kqz h SER 343 CO -0.01 -0.12 0.58 0.58 -1.14 0.00 0.00 176.83 176.72 3kqz h VAL 344 N -0.20 0.86 -0.00 2.27 2.07 -1.33 -0.52 116.25 119.41 3kqz h VAL 344 Ca -0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3kqz h VAL 344 Cb 0.16 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3kqz h VAL 344 CO 0.02 0.14 -0.07 0.61 0.02 0.00 0.00 177.57 178.29 3kqz n GLY 345 N -1.42 -1.22 0.31 2.17 0.00 -0.95 -4.26 105.19 99.82 3kqz n GLY 345 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.05 3kqz n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqz h LYS 346 N 0.17 0.75 -0.21 1.61 1.57 -0.80 -1.29 116.57 118.37 3kqz h LYS 346 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kqz h LYS 346 Cb 0.37 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kqz h LYS 346 CO 0.00 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 3kqz n GLY 347 N -1.32 -0.10 3.93 3.86 0.00 -1.24 -4.50 105.19 105.81 3kqz n GLY 347 Ca 0.15 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3kqz n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqz s SER 348 N -0.94 6.37 0.14 1.61 0.15 -0.49 -4.51 113.70 116.03 3kqz s SER 348 Ca 0.11 0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.34 3kqz s SER 348 Cb 0.06 -1.98 0.61 0.00 -1.71 0.00 0.00 66.02 63.00 3kqz s SER 348 CO 0.07 0.00 1.56 1.15 1.20 0.00 0.00 173.24 177.22 3kqz n MET 349 N -0.54 0.24 -3.54 5.44 0.00 -1.26 -4.77 117.12 112.69 3kqz n MET 349 Ca -0.05 0.13 -0.37 0.00 0.00 0.00 0.00 57.70 57.41 3kqz n MET 349 Cb 0.54 -1.71 -0.07 0.00 0.00 0.00 0.00 33.22 31.98 3kqz n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqz s TYR 350 N -3.12 3.49 0.48 3.17 1.51 -1.26 -4.89 117.35 116.73 3kqz s TYR 350 Ca 0.09 0.64 -0.23 0.00 -1.01 0.00 0.00 57.07 56.56 3kqz s TYR 350 Cb 0.14 -2.33 -0.07 0.00 -0.11 0.00 0.00 41.96 39.59 3kqz s TYR 350 CO 0.65 0.29 1.22 -2.14 -1.11 0.00 0.00 175.55 174.46 3kqz s PRO 351 N 0.29 3.58 0.36 -1.71 0.02 -1.26 -4.75 135.00 131.53 3kqz s PRO 351 Ca 0.17 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 62.82 3kqz s PRO 351 Cb -0.13 -2.36 -0.11 0.00 0.02 0.00 0.00 34.50 31.91 3kqz s PRO 351 CO 0.05 -0.73 1.46 0.09 -0.33 0.00 0.00 177.00 177.54 3kqz n ASN 352 N -0.64 3.62 -3.80 2.53 4.13 -1.26 -4.53 115.26 115.30 3kqz n ASN 352 Ca 0.08 1.22 -0.26 0.00 1.68 0.00 0.00 54.58 57.30 3kqz n ASN 352 Cb 0.47 -1.59 -0.17 0.00 -1.54 0.00 0.00 39.78 36.95 3kqz n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kqz s LYS 353 N -1.92 0.92 -0.26 3.52 -0.14 -0.93 -3.96 119.74 116.97 3kqz s LYS 353 Ca 0.55 -0.27 -0.13 0.00 -1.36 0.00 0.00 55.97 54.76 3kqz s LYS 353 Cb -0.49 -1.68 -0.04 0.00 -1.68 0.00 0.00 37.83 33.93 3kqz s LYS 353 CO 0.62 -0.45 0.30 0.12 -0.76 0.00 0.00 175.35 175.18 3kqz s PHE 354 N 1.82 3.26 -0.08 3.18 2.19 0.48 -1.93 117.98 126.90 3kqz s PHE 354 Ca 0.02 0.32 -0.16 0.00 0.33 0.00 0.00 56.93 57.43 3kqz s PHE 354 Cb -0.15 -2.47 -0.05 0.00 -1.31 0.00 0.00 43.02 39.04 3kqz s PHE 354 CO -0.07 -0.16 0.42 0.42 1.83 0.00 0.00 175.22 177.67 3kqz s ILE 355 N 1.79 5.15 -0.28 3.12 1.01 0.39 -0.25 121.20 132.12 3kqz s ILE 355 Ca 0.12 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.60 3kqz s ILE 355 Cb -0.16 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.67 3kqz s ILE 355 CO 0.09 0.42 0.20 -2.28 0.00 0.00 0.00 174.94 173.38 3kqz s HIS 356 N 0.02 -0.03 0.05 3.97 2.46 -0.84 -1.85 115.29 119.07 3kqz s HIS 356 Ca 0.24 -0.51 0.02 0.00 0.47 0.00 0.00 55.06 55.27 3kqz s HIS 356 Cb -0.15 -0.69 -0.04 0.00 -0.13 0.00 0.00 32.58 31.57 3kqz s HIS 356 CO 0.10 -0.84 0.08 -0.51 -2.47 0.00 0.00 174.74 171.10 3kqz s LEU 357 N 2.22 3.82 -0.04 8.88 1.02 -0.02 -1.59 118.68 132.97 3kqz s LEU 357 Ca 0.09 0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.31 3kqz s LEU 357 Cb -0.15 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.67 3kqz s LEU 357 CO -0.33 0.21 -0.12 -0.89 0.02 0.00 0.00 176.35 175.24 3kqz s THR 358 N -1.31 1.06 -0.17 5.49 2.01 0.03 -0.74 115.64 122.02 3kqz s THR 358 Ca 0.27 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 3kqz s THR 358 Cb -0.12 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3kqz s THR 358 CO 0.19 0.32 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.93 3kqz s TYR 359 N 0.29 2.99 -0.04 4.92 5.04 0.11 -2.45 117.35 128.21 3kqz s TYR 359 Ca -0.06 -0.44 0.06 0.00 -2.44 0.00 0.00 57.07 54.18 3kqz s TYR 359 Cb -0.11 -1.98 -0.01 0.00 0.35 0.00 0.00 41.96 40.20 3kqz s TYR 359 CO 0.02 -0.15 -0.21 0.21 -1.34 0.00 0.00 175.55 174.07 3kqz s LYS 360 N 0.60 2.05 0.57 4.97 2.20 -1.26 -0.50 119.74 128.37 3kqz s LYS 360 Ca -0.03 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 54.68 3kqz s LYS 360 Cb -0.14 -1.81 -0.06 0.00 -1.51 0.00 0.00 37.83 34.31 3kqz s LYS 360 CO 0.03 0.35 1.01 -1.12 -0.36 0.00 0.00 175.35 175.26 3kqz s SER 361 N -0.17 6.31 0.14 1.43 0.01 -0.45 -4.99 113.70 115.98 3kqz s SER 361 Ca -0.01 1.56 -0.14 0.00 1.31 0.00 0.00 55.95 58.68 3kqz s SER 361 Cb -0.11 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.62 3kqz s SER 361 CO 0.02 -0.81 1.62 0.11 0.41 0.00 0.00 173.24 174.60 3kqz h LYS 362 N 0.37 0.74 0.00 12.44 1.79 -1.90 -3.47 116.57 126.55 3kqz h LYS 362 Ca -0.46 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 57.82 3kqz h LYS 362 Cb 1.19 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3kqz h LYS 362 CO 0.61 0.76 0.00 0.41 -1.08 0.00 0.00 179.45 180.15 3kqz n GLY 363 N -0.52 -0.79 3.76 3.86 0.00 -1.26 -4.94 105.19 105.30 3kqz n GLY 363 Ca 0.00 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3kqz n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqz s ASP 364 N -1.32 6.51 -0.42 1.61 1.11 -1.26 -4.88 116.67 118.02 3kqz s ASP 364 Ca 0.00 2.85 -0.21 0.00 0.18 0.00 0.00 52.55 55.37 3kqz s ASP 364 Cb 0.00 -2.64 0.02 0.00 1.07 0.00 0.00 42.92 41.37 3kqz s ASP 364 CO 0.00 -0.78 0.68 -0.69 1.18 0.00 0.00 175.17 175.56 3kqz s VAL 365 N -0.47 4.79 -0.11 -1.27 1.01 -1.26 -3.90 120.40 119.19 3kqz s VAL 365 Ca 0.57 0.29 0.15 0.00 0.00 0.00 0.00 61.98 62.99 3kqz s VAL 365 Cb -0.44 -4.21 -0.24 0.00 0.00 0.00 0.00 36.38 31.49 3kqz s VAL 365 CO 0.51 -0.57 0.42 0.29 0.00 0.00 0.00 175.10 175.75 3kqz n LYS 366 N 6.34 0.66 -3.75 2.72 5.02 -0.29 -4.93 118.16 123.92 3kqz n LYS 366 Ca -0.01 0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 3kqz n LYS 366 Cb 0.48 -1.68 -0.16 0.00 -0.02 0.00 0.00 35.03 33.66 3kqz n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kqz s LYS 367 N -2.58 -0.00 -0.24 1.97 2.47 -1.02 -5.04 119.74 115.30 3kqz s LYS 367 Ca -0.07 0.28 -0.07 0.00 -1.56 0.00 0.00 55.97 54.55 3kqz s LYS 367 Cb 0.07 -0.26 -0.03 0.00 -1.46 0.00 0.00 37.83 36.16 3kqz s LYS 367 CO 0.83 -0.19 0.06 0.15 0.16 0.00 0.00 175.35 176.35 3kqz s LYS 368 N 1.27 3.65 -0.07 4.03 1.02 -1.26 -1.31 119.74 127.07 3kqz s LYS 368 Ca -0.07 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.49 3kqz s LYS 368 Cb -0.12 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 3kqz s LYS 368 CO -0.04 -0.15 -0.23 0.42 -0.92 0.00 0.00 175.35 174.43 3kqz s ILE 369 N 1.49 1.94 -0.24 2.17 1.01 0.20 -0.20 121.20 127.57 3kqz s ILE 369 Ca 0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3kqz s ILE 369 Cb -0.15 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 3kqz s ILE 369 CO 0.03 0.54 0.05 0.00 0.00 0.00 0.00 174.94 175.55 3kqz s ALA 370 N 0.03 3.09 -0.31 9.38 0.00 0.13 0.99 121.76 135.07 3kqz s ALA 370 Ca -0.08 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 3kqz s ALA 370 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3kqz s ALA 370 CO 0.05 -0.47 0.20 -0.51 0.00 0.00 0.00 175.76 175.03 3kqz s LEU 371 N 1.58 4.25 -0.17 0.00 1.43 0.90 -0.58 118.68 126.09 3kqz s LEU 371 Ca 0.06 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 3kqz s LEU 371 Cb -0.15 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3kqz s LEU 371 CO 0.02 -0.17 -0.02 -0.69 0.23 0.00 0.00 176.35 175.73 3kqz s VAL 372 N 1.70 4.00 -0.07 -1.59 1.01 0.10 -0.06 120.40 125.50 3kqz s VAL 372 Ca 0.06 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.78 3kqz s VAL 372 Cb -0.17 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3kqz s VAL 372 CO 0.09 0.47 -0.23 -0.83 0.00 0.00 0.00 175.10 174.60 3kqz s GLY 373 N 0.56 1.33 0.11 4.51 0.00 -0.24 -0.17 107.32 113.42 3kqz s GLY 373 Ca -0.02 -1.02 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 3kqz s GLY 373 CO 0.02 -0.58 1.40 1.25 0.00 0.00 0.00 173.10 175.20 3kqz s LYS 374 N -0.09 4.31 -0.48 2.90 2.20 -0.68 -4.07 119.74 123.83 3kqz s LYS 374 Ca -0.06 2.08 0.08 0.00 -0.36 0.00 0.00 55.97 57.72 3kqz s LYS 374 Cb -0.14 -3.27 0.28 0.00 -1.51 0.00 0.00 37.83 33.18 3kqz s LYS 374 CO 0.04 -0.46 0.68 0.41 -0.36 0.00 0.00 175.35 175.66 3kqz n GLY 375 N 3.53 3.91 3.53 5.54 0.00 -1.25 -1.60 105.19 118.84 3kqz n GLY 375 Ca 0.12 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 3kqz n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqz s ILE 376 N -2.19 5.06 -0.18 -0.61 -1.09 -0.84 -1.21 121.20 120.14 3kqz s ILE 376 Ca 0.39 0.02 0.17 0.00 -2.23 0.00 0.00 60.65 59.00 3kqz s ILE 376 Cb 0.21 -3.97 0.13 0.00 -1.58 0.00 0.00 42.46 37.25 3kqz s ILE 376 CO -0.08 -0.28 1.52 0.71 -1.23 0.00 0.00 174.94 175.57 3kqz h THR 377 N 5.65 0.68 -2.95 2.92 1.35 -1.44 -1.34 112.91 117.78 3kqz h THR 377 Ca -0.28 -1.88 -0.17 0.00 -0.55 0.00 0.00 66.41 63.53 3kqz h THR 377 Cb 1.12 2.28 -0.28 0.00 -1.73 0.00 0.00 68.15 69.54 3kqz h THR 377 CO 0.77 0.37 -0.41 0.12 -0.25 0.00 0.00 175.52 176.12 3kqz s PHE 378 N -3.08 -0.38 -0.39 4.73 5.36 -1.26 -4.29 117.98 118.67 3kqz s PHE 378 Ca 0.04 0.89 0.00 0.00 -0.96 0.00 0.00 56.93 56.90 3kqz s PHE 378 Cb 0.07 0.11 0.11 0.00 -0.34 0.00 0.00 43.02 42.97 3kqz s PHE 378 CO 0.72 -0.23 0.14 0.34 -1.46 0.00 0.00 175.22 174.73 3kqz s ASP 379 N 0.96 5.04 0.21 6.13 2.15 -1.18 -1.00 116.67 128.97 3kqz s ASP 379 Ca -0.07 -2.12 0.26 0.00 0.43 0.00 0.00 52.55 51.05 3kqz s ASP 379 Cb -0.07 -1.74 0.69 0.00 -0.30 0.00 0.00 42.92 41.49 3kqz s ASP 379 CO -0.07 -0.47 1.68 0.77 -0.17 0.00 0.00 175.17 176.91 3kqz h SER 380 N 7.82 0.00 0.00 -0.34 4.64 -1.70 -3.45 113.55 120.51 3kqz h SER 380 Ca -0.09 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3kqz h SER 380 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3kqz h SER 380 CO 0.62 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 3kqz n GLY 381 N 1.30 1.72 7.00 -0.77 0.00 -1.26 0.04 105.19 113.23 3kqz n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -1.28 0.98 0.44 -0.02 0.00 -1.26 -1.49 105.19 102.56 3kqz n GLY 382 Ca 0.00 -0.66 0.26 0.00 0.00 0.00 0.00 46.02 45.62 3kqz n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqz h TYR 383 N 0.00 0.02 -0.11 1.61 0.05 -1.82 0.24 116.97 116.95 3kqz h TYR 383 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.10 3kqz h TYR 383 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3kqz h TYR 383 CO 0.00 0.01 3.62 0.09 -1.05 0.00 0.00 178.16 180.83 3kqz n ASN 384 N -4.30 7.94 -4.60 3.88 4.13 -1.18 -4.98 115.26 116.15 3kqz n ASN 384 Ca 0.16 -2.66 -0.43 0.00 1.68 0.00 0.00 54.58 53.33 3kqz n ASN 384 Cb 0.86 -1.56 -0.00 0.00 -1.54 0.00 0.00 39.78 37.54 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqz n LEU 385 N 3.82 2.11 -4.56 3.41 7.94 0.83 -4.47 117.00 126.07 3kqz n LEU 385 Ca 0.73 1.11 -0.31 0.00 -1.11 0.00 0.00 56.01 56.44 3kqz n LEU 385 Cb 0.26 -1.32 -0.04 0.00 0.53 0.00 0.00 43.42 42.85 3kqz n LEU 385 CO 0.85 -1.45 1.42 -0.54 -1.11 0.00 0.00 177.39 176.56 3kqz s LYS 386 N -1.75 2.84 -0.01 1.96 1.02 0.11 -4.59 119.74 119.32 3kqz s LYS 386 Ca 0.60 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.98 3kqz s LYS 386 Cb -0.63 -5.17 -0.06 0.00 -0.52 0.00 0.00 37.83 31.45 3kqz s LYS 386 CO 0.59 -3.14 0.08 0.00 -0.92 0.00 0.00 175.35 171.96 3kqz n ALA 387 N 12.63 2.11 -1.66 5.17 0.00 -1.26 -4.63 120.51 132.87 3kqz n ALA 387 Ca 0.39 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 3kqz n ALA 387 Cb 0.48 -0.09 0.04 0.00 0.00 0.00 0.00 19.45 19.88 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz n ALA 388 N -1.73 0.63 -1.76 0.00 0.00 -1.26 -4.91 120.51 111.48 3kqz n ALA 388 Ca -0.02 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 3kqz n ALA 388 Cb 0.19 -2.18 0.01 0.00 0.00 0.00 0.00 19.45 17.47 3kqz n ALA 388 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqz s PRO 389 N -2.64 3.45 0.00 0.00 0.02 -1.26 -2.19 135.00 132.38 3kqz s PRO 389 Ca 0.72 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3kqz s PRO 389 Cb -0.45 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 31.81 3kqz s PRO 389 CO 0.50 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3kqz n GLY 390 N 0.51 2.34 0.15 0.52 0.00 -1.26 -4.89 105.19 102.57 3kqz n GLY 390 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3kqz n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqz h SER 391 N 0.00 0.00 -5.90 1.61 4.64 -1.79 -3.47 113.55 108.63 3kqz h SER 391 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 3kqz h SER 391 Cb 0.00 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.20 3kqz h SER 391 CO 0.00 0.00 -0.74 0.23 -0.87 0.00 0.00 176.83 175.45 3kqz n MET 392 N -2.46 -6.70 0.09 4.77 2.81 -1.26 -4.85 117.12 109.52 3kqz n MET 392 Ca 0.03 0.76 0.19 0.00 -1.81 0.00 0.00 57.70 56.88 3kqz n MET 392 Cb 0.35 -5.71 0.75 0.00 -0.71 0.00 0.00 33.22 27.90 3kqz n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqz h ILE 393 N -2.24 0.54 0.00 2.02 2.10 -1.92 -0.76 117.51 117.25 3kqz h ILE 393 Ca -0.58 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.36 3kqz h ILE 393 Cb 1.36 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 3kqz h ILE 393 CO 0.56 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.73 3kqz n ASP 394 N -3.99 0.05 -0.20 2.19 5.75 -1.26 -1.96 116.55 117.13 3kqz n ASP 394 Ca 0.06 0.51 0.12 0.00 -0.01 0.00 0.00 54.79 55.47 3kqz n ASP 394 Cb 0.52 -0.52 0.15 0.00 -1.03 0.00 0.00 41.12 40.24 3kqz n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kqz n LEU 395 N -1.56 1.15 0.00 -2.12 7.94 -0.29 -4.64 117.00 117.49 3kqz n LEU 395 Ca 0.04 -0.38 0.10 0.00 -1.11 0.00 0.00 56.01 54.67 3kqz n LEU 395 Cb 0.20 -0.09 0.51 0.00 0.53 0.00 0.00 43.42 44.57 3kqz n LEU 395 CO 0.16 0.24 0.84 0.23 -1.11 0.00 0.00 177.39 177.75 3kqz n MET 396 N -0.86 0.19 0.29 1.96 2.81 -0.83 -1.02 117.12 119.66 3kqz n MET 396 Ca 0.08 0.10 0.14 0.00 -1.81 0.00 0.00 57.70 56.22 3kqz n MET 396 Cb 0.37 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.13 3kqz n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqz h LYS 397 N 0.00 0.00 -0.10 0.03 2.10 -1.82 -1.71 116.57 115.07 3kqz h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqz h LYS 397 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 3kqz h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqz n PHE 398 N -2.70 0.12 1.19 0.07 -0.00 -0.19 -3.87 117.46 112.08 3kqz n PHE 398 Ca -0.02 -0.06 0.08 0.00 -0.00 0.00 0.00 57.45 57.46 3kqz n PHE 398 Cb 0.32 0.00 0.49 0.00 -0.00 0.00 0.00 39.48 40.29 3kqz n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqz n ASP 399 N 0.08 0.00 -0.92 5.98 2.03 -0.65 -1.21 116.55 121.87 3kqz n ASP 399 Ca 0.17 -0.67 0.07 0.00 0.52 0.00 0.00 54.79 54.88 3kqz n ASP 399 Cb 0.29 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 40.95 3kqz n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqz n MET 400 N -0.94 2.79 -0.16 -0.67 0.00 -0.51 -1.99 117.12 115.64 3kqz n MET 400 Ca 0.12 -2.88 0.09 0.00 0.00 0.00 0.00 57.70 55.04 3kqz n MET 400 Cb 0.06 -1.84 0.40 0.00 0.00 0.00 0.00 33.22 31.84 3kqz n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqz h SER 401 N 1.69 0.56 -0.21 3.17 0.02 -1.32 -0.55 113.55 116.91 3kqz h SER 401 Ca 0.03 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3kqz h SER 401 Cb 1.48 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 3kqz h SER 401 CO 0.25 0.35 -0.15 1.23 -1.14 0.00 0.00 176.83 177.36 3kqz h GLY 402 N 0.63 0.52 0.71 -3.77 0.00 -1.73 0.81 103.07 100.25 3kqz h GLY 402 Ca 0.31 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3kqz h GLY 402 CO -0.10 0.45 0.19 0.00 0.00 0.00 0.00 176.54 177.08 3kqz h ALA 404 N 1.25 0.81 -0.85 0.00 0.00 -0.75 0.17 119.26 119.88 3kqz h ALA 404 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kqz h ALA 404 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kqz h ALA 404 CO -0.16 0.05 0.52 0.00 0.00 0.00 0.00 179.25 179.67 3kqz h ALA 405 N 1.30 1.08 -0.43 0.00 0.00 -0.15 0.72 119.26 121.78 3kqz h ALA 405 Ca 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kqz h ALA 405 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3kqz h ALA 405 CO -0.14 0.53 0.03 0.28 0.00 0.00 0.00 179.25 179.95 3kqz h VAL 406 N 1.16 1.25 -0.24 0.00 2.07 0.51 0.45 116.25 121.45 3kqz h VAL 406 Ca 0.31 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3kqz h VAL 406 Cb -0.06 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3kqz h VAL 406 CO -0.06 0.33 0.01 -0.07 0.02 0.00 0.00 177.57 177.81 3kqz h LEU 407 N 0.58 0.40 -0.76 2.57 3.38 -0.47 0.18 115.31 121.18 3kqz h LEU 407 Ca 0.12 -0.29 0.17 0.00 0.09 0.00 0.00 57.88 57.98 3kqz h LEU 407 Cb 0.44 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.95 3kqz h LEU 407 CO 0.02 0.59 0.02 1.23 0.09 0.00 0.00 178.44 180.38 3kqz h GLY 408 N 0.19 0.87 1.00 0.83 0.00 -0.79 0.68 103.07 105.86 3kqz h GLY 408 Ca 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3kqz h GLY 408 CO 0.01 -0.29 0.20 0.00 0.00 0.00 0.00 176.54 176.45 3kqz h ALA 410 N 1.06 1.85 0.63 0.00 0.00 0.14 0.53 119.26 123.48 3kqz h ALA 410 Ca 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kqz h ALA 410 Cb 0.28 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kqz h ALA 410 CO -0.01 -0.02 -0.30 -0.92 0.00 0.00 0.00 179.25 178.01 3kqz h TYR 411 N 0.63 -0.78 -0.29 0.00 3.20 0.14 0.14 116.97 120.01 3kqz h TYR 411 Ca 0.35 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.27 3kqz h TYR 411 Cb 0.52 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.97 3kqz h TYR 411 CO -0.00 -0.44 -0.23 0.00 -1.64 0.00 0.00 178.16 175.85 3kqz h VAL 413 N -0.21 1.15 -0.19 0.00 2.07 -0.91 0.31 116.25 118.47 3kqz h VAL 413 Ca 0.15 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3kqz h VAL 413 Cb 0.45 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kqz h VAL 413 CO -0.42 0.16 -0.02 1.23 0.02 0.00 0.00 177.57 178.54 3kqz h GLY 414 N 0.87 0.29 0.01 2.17 0.00 -0.42 -2.03 103.07 103.96 3kqz h GLY 414 Ca 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3kqz h GLY 414 CO -0.06 0.14 -0.00 -0.84 0.00 0.00 0.00 176.54 175.78 3kqz h THR 415 N 0.27 0.70 0.00 4.70 2.02 -0.39 -3.35 112.91 116.86 3kqz h THR 415 Ca 0.06 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3kqz h THR 415 Cb 0.22 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3kqz h THR 415 CO 0.01 0.24 0.00 -0.07 0.37 0.00 0.00 175.52 176.06 3kqz h LEU 416 N -1.00 0.00 -3.45 2.58 3.38 -0.47 -3.47 115.31 112.88 3kqz h LEU 416 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3kqz h LEU 416 Cb 0.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kqz h LEU 416 CO 0.00 0.00 -0.88 0.29 0.09 0.00 0.00 178.44 177.94 3kqz n LYS 417 N -2.70 -1.17 -1.30 1.13 5.02 -0.76 -4.92 118.16 113.45 3kqz n LYS 417 Ca 0.00 0.66 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 3kqz n LYS 417 Cb 0.19 -3.30 0.09 0.00 -0.02 0.00 0.00 35.03 31.99 3kqz n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqz s PRO 418 N -5.39 2.31 0.20 1.97 0.04 -1.26 -5.03 135.00 127.85 3kqz s PRO 418 Ca 0.21 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.46 3kqz s PRO 418 Cb -0.09 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 3kqz s PRO 418 CO 0.88 -1.60 0.35 -1.21 0.04 0.00 0.00 177.00 175.46 3kqz s GLU 419 N -4.85 3.46 -1.04 4.56 2.02 -1.26 -4.63 118.70 116.95 3kqz s GLU 419 Ca 0.61 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.02 3kqz s GLU 419 Cb -0.17 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3kqz s GLU 419 CO 0.55 0.44 0.00 0.09 0.02 0.00 0.00 175.26 176.36 3kqz n ASN 420 N -0.94 -3.89 -3.90 -0.19 3.02 -1.25 -4.98 115.26 103.13 3kqz n ASN 420 Ca -0.07 0.07 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 3kqz n ASN 420 Cb 0.55 -2.90 -0.14 0.00 -0.61 0.00 0.00 39.78 36.68 3kqz n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kqz s VAL 421 N -2.53 0.06 -0.16 2.41 0.11 -1.26 -1.14 120.40 117.90 3kqz s VAL 421 Ca 0.00 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 3kqz s VAL 421 Cb 0.00 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.77 3kqz s VAL 421 CO 0.00 -0.05 -0.17 -0.70 -3.33 0.00 0.00 175.10 170.85 3kqz s GLU 422 N -0.21 3.15 -0.12 1.54 2.12 -0.43 -1.34 118.70 123.41 3kqz s GLU 422 Ca -0.02 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.57 3kqz s GLU 422 Cb -0.02 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.78 3kqz s GLU 422 CO -0.00 -0.04 -0.21 0.42 -0.54 0.00 0.00 175.26 174.89 3kqz s ILE 423 N 0.94 1.91 -0.22 -3.70 1.01 0.35 0.63 121.20 122.11 3kqz s ILE 423 Ca -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 3kqz s ILE 423 Cb -0.15 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3kqz s ILE 423 CO -0.03 0.52 0.06 -1.00 0.00 0.00 0.00 174.94 174.50 3kqz s HIS 424 N 0.68 3.13 -0.34 3.97 3.76 0.28 -0.72 115.29 126.05 3kqz s HIS 424 Ca -0.11 -0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 3kqz s HIS 424 Cb -0.16 -2.16 0.01 0.00 1.11 0.00 0.00 32.58 31.37 3kqz s HIS 424 CO 0.02 -0.15 0.18 -0.06 -0.85 0.00 0.00 174.74 173.88 3kqz s PHE 425 N 1.09 3.21 -0.02 1.40 0.08 0.08 -0.07 117.98 123.76 3kqz s PHE 425 Ca 0.04 -0.74 0.08 0.00 0.12 0.00 0.00 56.93 56.42 3kqz s PHE 425 Cb -0.14 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.89 3kqz s PHE 425 CO 0.03 -0.54 -0.25 -0.51 -0.10 0.00 0.00 175.22 173.85 3kqz s LEU 426 N 1.59 2.05 -0.23 -0.37 1.43 0.91 -0.84 118.68 123.22 3kqz s LEU 426 Ca 0.03 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 3kqz s LEU 426 Cb -0.18 -1.29 0.09 0.00 0.03 0.00 0.00 46.19 44.84 3kqz s LEU 426 CO 0.07 0.31 0.52 -0.55 0.23 0.00 0.00 176.35 176.92 3kqz s SER 427 N -0.60 -0.65 -0.74 2.29 0.15 -0.77 -1.08 113.70 112.29 3kqz s SER 427 Ca 0.10 1.19 -0.22 0.00 0.70 0.00 0.00 55.95 57.72 3kqz s SER 427 Cb -0.10 1.38 0.08 0.00 -1.71 0.00 0.00 66.02 65.67 3kqz s SER 427 CO -0.01 -0.22 1.03 0.00 1.20 0.00 0.00 173.24 175.24 3kqz s ALA 428 N 2.11 3.15 -0.17 5.45 0.00 -1.26 -0.46 121.76 130.58 3kqz s ALA 428 Ca -0.07 -2.08 -0.13 0.00 0.00 0.00 0.00 51.96 49.69 3kqz s ALA 428 Cb -0.09 -3.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 3kqz s ALA 428 CO -0.15 -2.87 0.27 0.08 0.00 0.00 0.00 175.76 173.08 3kqz s VAL 429 N 3.80 5.32 0.38 0.00 1.01 -0.81 -3.95 120.40 126.15 3kqz s VAL 429 Ca 0.26 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 3kqz s VAL 429 Cb -0.13 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.69 3kqz s VAL 429 CO 0.05 0.40 0.71 0.00 0.00 0.00 0.00 175.10 176.26 3kqz s GLU 431 N -2.38 2.39 -0.49 0.00 2.12 -1.26 -1.25 118.70 117.83 3kqz s GLU 431 Ca 0.20 -0.76 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 3kqz s GLU 431 Cb -0.04 -2.29 0.12 0.00 0.26 0.00 0.00 34.13 32.19 3kqz s GLU 431 CO 0.14 0.61 0.37 1.21 -0.54 0.00 0.00 175.26 177.05 3kqz s ASN 432 N -0.72 5.78 0.29 -1.70 2.47 -0.17 -4.43 114.94 116.46 3kqz s ASN 432 Ca 0.11 -1.92 0.04 0.00 0.42 0.00 0.00 52.86 51.51 3kqz s ASN 432 Cb -0.10 -2.04 -0.06 0.00 -1.45 0.00 0.00 41.25 37.60 3kqz s ASN 432 CO 0.00 -0.71 0.03 -0.04 -3.72 0.00 0.00 177.10 172.66 3kqz s MET 433 N 1.36 1.55 -0.22 0.43 -1.94 -1.26 -1.73 119.30 117.48 3kqz s MET 433 Ca 0.06 -1.83 -0.05 0.00 -1.71 0.00 0.00 55.69 52.16 3kqz s MET 433 Cb -0.26 -0.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.74 3kqz s MET 433 CO -0.00 -0.14 -0.01 0.08 -0.01 0.00 0.00 175.02 174.94 3kqz s VAL 434 N -3.31 3.74 0.20 -6.03 1.01 -1.26 -4.55 120.40 110.20 3kqz s VAL 434 Ca 0.34 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 3kqz s VAL 434 Cb 0.07 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.79 3kqz s VAL 434 CO 0.13 0.41 0.62 -0.55 0.00 0.00 0.00 175.10 175.71 3kqz s SER 435 N 1.32 -0.42 0.48 3.32 0.15 -1.26 -4.98 113.70 112.31 3kqz s SER 435 Ca 0.04 -0.27 0.33 0.00 0.70 0.00 0.00 55.95 56.75 3kqz s SER 435 Cb -0.15 0.63 1.59 0.00 -1.71 0.00 0.00 66.02 66.38 3kqz s SER 435 CO 0.00 -1.09 1.98 0.07 1.20 0.00 0.00 173.24 175.40 3kqz h LYS 436 N 2.04 0.00 -0.00 5.44 2.10 -1.97 -2.94 116.57 121.24 3kqz h LYS 436 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3kqz h LYS 436 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3kqz h LYS 436 CO 0.34 0.00 -0.42 0.09 -2.00 0.00 0.00 179.45 177.46 3kqz n ASN 437 N -2.74 0.91 -4.73 7.07 5.03 -1.26 -4.98 115.26 114.56 3kqz n ASN 437 Ca -0.01 -0.71 -0.35 0.00 0.87 0.00 0.00 54.58 54.38 3kqz n ASN 437 Cb 0.16 0.27 0.08 0.00 -1.02 0.00 0.00 39.78 39.26 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqz s SER 438 N -2.72 4.46 0.73 6.41 0.01 -1.11 -3.67 113.70 117.81 3kqz s SER 438 Ca 0.18 2.42 -0.12 0.00 1.31 0.00 0.00 55.95 59.74 3kqz s SER 438 Cb 0.18 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.85 3kqz s SER 438 CO 0.62 -2.09 1.09 -0.72 0.41 0.00 0.00 173.24 172.54 3kqz s TYR 439 N -1.79 2.71 0.09 2.43 -0.00 -1.26 -4.85 117.35 114.68 3kqz s TYR 439 Ca 0.77 1.53 0.09 0.00 -0.00 0.00 0.00 57.07 59.46 3kqz s TYR 439 Cb -0.31 -3.04 -0.04 0.00 -0.00 0.00 0.00 41.96 38.58 3kqz s TYR 439 CO 0.42 -1.64 -0.23 1.03 -0.00 0.00 0.00 175.55 175.13 3kqz s ARG 440 N -4.74 1.70 0.19 -3.49 0.52 -1.26 -4.64 118.95 107.24 3kqz s ARG 440 Ca 0.62 -1.19 -0.32 0.00 -0.52 0.00 0.00 55.73 54.32 3kqz s ARG 440 Cb -0.17 -2.02 -0.16 0.00 0.52 0.00 0.00 34.95 33.12 3kqz s ARG 440 CO 0.52 0.49 1.05 -2.30 0.02 0.00 0.00 175.30 175.08 3kqz n PRO 441 N 1.19 1.01 0.00 3.54 -0.02 -1.26 -1.54 135.00 137.92 3kqz n PRO 441 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3kqz n PRO 441 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3kqz n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 442 N 1.81 3.04 3.54 -1.23 0.00 0.29 -5.02 105.19 107.63 3kqz n GLY 442 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 3kqz n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqz n ASP 443 N 0.10 0.64 -4.39 1.61 9.92 -0.59 -4.38 116.55 119.45 3kqz n ASP 443 Ca 0.00 1.16 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 3kqz n ASP 443 Cb 0.00 -1.19 -0.13 0.00 -0.64 0.00 0.00 41.12 39.16 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqz s ILE 444 N -0.91 4.02 0.36 0.53 1.01 -1.26 -0.45 121.20 124.51 3kqz s ILE 444 Ca 0.62 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.99 3kqz s ILE 444 Cb -0.79 -2.92 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 3kqz s ILE 444 CO 0.58 0.29 -0.06 0.27 0.00 0.00 0.00 174.94 176.02 3kqz s ILE 445 N 1.56 2.20 -0.11 2.92 -4.36 -0.48 -4.91 121.20 118.02 3kqz s ILE 445 Ca 0.05 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.32 3kqz s ILE 445 Cb -0.15 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 40.83 3kqz s ILE 445 CO 0.02 -0.15 -0.14 -0.89 0.24 0.00 0.00 174.94 174.02 3kqz s THR 446 N -2.63 1.42 0.79 8.37 2.01 -1.26 -0.60 115.64 123.74 3kqz s THR 446 Ca 0.33 -0.58 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 3kqz s THR 446 Cb 0.04 -1.32 0.06 0.00 0.01 0.00 0.00 72.50 71.29 3kqz s THR 446 CO 0.17 0.43 1.13 0.00 -0.69 0.00 0.00 174.62 175.65 3kqz s ALA 447 N 1.15 2.52 -1.03 7.40 0.00 0.69 -2.15 121.76 130.34 3kqz s ALA 447 Ca -0.04 -0.42 0.12 0.00 0.00 0.00 0.00 51.96 51.62 3kqz s ALA 447 Cb -0.14 -3.03 0.51 0.00 0.00 0.00 0.00 23.12 20.46 3kqz s ALA 447 CO -0.04 -1.59 1.37 -1.13 0.00 0.00 0.00 175.76 174.37 3kqz n SER 448 N -3.30 0.00 -1.11 0.00 3.41 -0.95 -1.47 113.62 110.20 3kqz n SER 448 Ca 0.07 0.48 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 3kqz n SER 448 Cb 0.58 -0.49 0.24 0.00 -0.26 0.00 0.00 64.21 64.29 3kqz n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqz n ASN 449 N -1.49 3.22 0.00 4.04 6.94 -1.26 -4.93 115.26 121.79 3kqz n ASN 449 Ca 0.03 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 3kqz n ASN 449 Cb 0.13 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqz n GLY 450 N 1.01 0.79 3.71 4.83 0.00 -0.54 -5.02 105.19 109.97 3kqz n GLY 450 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kqz n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s LYS 451 N -0.08 4.52 0.19 1.61 1.02 -1.26 -4.79 119.74 120.95 3kqz s LYS 451 Ca 0.00 1.36 -0.18 0.00 0.02 0.00 0.00 55.97 57.17 3kqz s LYS 451 Cb 0.00 -3.48 -0.08 0.00 -0.52 0.00 0.00 37.83 33.76 3kqz s LYS 451 CO 0.00 -0.09 0.65 0.95 -0.92 0.00 0.00 175.35 175.94 3kqz s THR 452 N 1.20 4.68 -0.05 2.17 -4.23 -1.26 -0.22 115.64 117.93 3kqz s THR 452 Ca 0.50 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 62.11 3kqz s THR 452 Cb -0.20 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.85 3kqz s THR 452 CO 0.25 0.22 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.90 3kqz s ILE 453 N -1.50 0.42 -0.23 2.99 1.01 0.23 -2.44 121.20 121.68 3kqz s ILE 453 Ca 0.41 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.87 3kqz s ILE 453 Cb -0.16 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 3kqz s ILE 453 CO 0.20 0.22 0.50 -0.70 0.00 0.00 0.00 174.94 175.16 3kqz s GLU 454 N 1.24 4.12 -0.42 2.79 2.12 0.09 -1.39 118.70 127.26 3kqz s GLU 454 Ca -0.06 0.33 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 3kqz s GLU 454 Cb -0.14 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.67 3kqz s GLU 454 CO -0.02 -0.24 1.12 0.08 -0.54 0.00 0.00 175.26 175.66 3kqz s VAL 455 N 1.95 4.31 -0.21 3.70 1.01 0.41 -1.84 120.40 129.73 3kqz s VAL 455 Ca 0.22 1.41 0.22 0.00 0.00 0.00 0.00 61.98 63.83 3kqz s VAL 455 Cb -0.15 -4.53 -0.14 0.00 0.00 0.00 0.00 36.38 31.56 3kqz s VAL 455 CO 0.09 -0.81 0.84 0.61 0.00 0.00 0.00 175.10 175.83 3kqz n GLY 456 N 4.49 -1.26 3.50 4.51 0.00 -1.26 0.10 105.19 115.27 3kqz n GLY 456 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3kqz n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqz s ASN 457 N -4.85 -0.80 0.43 1.61 3.84 -1.26 -4.74 114.94 109.16 3kqz s ASN 457 Ca -0.03 1.35 0.29 0.00 0.21 0.00 0.00 52.86 54.68 3kqz s ASN 457 Cb 0.12 1.91 1.10 0.00 -0.55 0.00 0.00 41.25 43.83 3kqz s ASN 457 CO 0.84 -0.22 1.85 0.71 -2.79 0.00 0.00 177.10 177.48 3kqz h THR 458 N 6.03 0.00 0.00 -5.21 1.35 -1.89 -1.05 112.91 112.13 3kqz h THR 458 Ca -0.18 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3kqz h THR 458 Cb 1.11 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3kqz h THR 458 CO 0.11 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.71 3kqz n ASP 459 N -2.78 0.08 -2.30 5.36 2.03 -0.56 -3.17 116.55 115.22 3kqz n ASP 459 Ca 0.02 0.51 -0.24 0.00 0.52 0.00 0.00 54.79 55.60 3kqz n ASP 459 Cb 0.32 -0.53 -0.03 0.00 -0.72 0.00 0.00 41.12 40.16 3kqz n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqz n ALA 460 N -1.53 6.05 0.09 -1.67 0.00 -0.40 -4.55 120.51 118.49 3kqz n ALA 460 Ca 0.05 -2.62 -0.03 0.00 0.00 0.00 0.00 53.44 50.84 3kqz n ALA 460 Cb 0.26 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 3kqz n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqz h GLU 461 N 2.50 0.00 -0.38 0.00 9.09 -1.76 -3.34 114.58 120.69 3kqz h GLU 461 Ca 0.37 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.80 3kqz h GLU 461 Cb 0.79 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.86 3kqz h GLU 461 CO 0.86 0.73 0.20 0.78 0.05 0.00 0.00 179.01 181.63 3kqz h GLY 462 N 3.27 0.52 2.00 1.06 0.00 -1.90 -1.01 103.07 107.01 3kqz h GLY 462 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kqz h GLY 462 CO 0.10 0.11 0.00 0.07 0.00 0.00 0.00 176.54 176.82 3kqz h ARG 463 N 0.41 0.00 0.14 4.80 0.11 -1.95 -0.83 114.38 117.06 3kqz h ARG 463 Ca 0.16 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.02 3kqz h ARG 463 Cb 0.05 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.15 3kqz h ARG 463 CO -0.10 0.00 -0.93 -0.07 0.10 0.00 0.00 179.97 178.97 3kqz h LEU 464 N 0.00 0.58 -0.79 0.08 3.38 -1.36 -0.48 115.31 116.71 3kqz h LEU 464 Ca 0.00 -0.91 -0.07 0.00 0.09 0.00 0.00 57.88 56.99 3kqz h LEU 464 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3kqz h LEU 464 CO 0.00 1.44 0.09 0.71 0.09 0.00 0.00 178.44 180.77 3kqz h THR 465 N -0.19 1.25 -0.13 0.22 1.35 -1.00 -3.02 112.91 111.39 3kqz h THR 465 Ca -0.16 -1.00 -0.16 0.00 -0.55 0.00 0.00 66.41 64.54 3kqz h THR 465 Cb 1.70 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3kqz h THR 465 CO 0.18 0.37 -0.60 -0.07 -0.25 0.00 0.00 175.52 175.15 3kqz h LEU 466 N 0.94 0.50 -0.57 3.87 3.38 -1.17 -0.56 115.31 121.70 3kqz h LEU 466 Ca 0.19 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3kqz h LEU 466 Cb 0.42 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3kqz h LEU 466 CO 0.01 0.98 0.28 0.00 0.09 0.00 0.00 178.44 179.80 3kqz h ALA 467 N 1.02 0.74 -0.07 1.53 0.00 -0.99 0.76 119.26 122.26 3kqz h ALA 467 Ca -0.00 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3kqz h ALA 467 Cb 1.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kqz h ALA 467 CO 0.11 -0.08 -0.78 -0.44 0.00 0.00 0.00 179.25 178.06 3kqz h ASP 468 N 0.53 0.55 0.66 0.00 3.32 -1.30 -1.69 116.42 118.49 3kqz h ASP 468 Ca 0.26 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3kqz h ASP 468 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kqz h ASP 468 CO -0.20 1.14 -0.42 0.00 -1.72 0.00 0.00 179.24 178.04 3kqz h ALA 469 N 0.85 1.08 0.01 3.45 0.00 -0.51 -2.32 119.26 121.82 3kqz h ALA 469 Ca -0.04 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 3kqz h ALA 469 Cb 1.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3kqz h ALA 469 CO 0.14 0.53 -0.90 -0.07 0.00 0.00 0.00 179.25 178.94 3kqz h LEU 470 N 0.00 0.27 -0.57 0.00 3.38 0.11 -1.46 115.31 117.04 3kqz h LEU 470 Ca -0.00 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 3kqz h LEU 470 Cb 0.87 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3kqz h LEU 470 CO 0.05 1.04 -0.64 -0.37 0.09 0.00 0.00 178.44 178.61 3kqz h VAL 471 N 0.11 1.39 0.37 1.22 -1.51 -1.11 -1.30 116.25 115.42 3kqz h VAL 471 Ca -0.05 -2.06 -0.02 0.00 -1.23 0.00 0.00 66.70 63.35 3kqz h VAL 471 Cb 1.54 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.76 3kqz h VAL 471 CO 0.14 0.61 -0.18 0.22 -1.23 0.00 0.00 177.57 177.13 3kqz h TYR 472 N 0.20 -0.47 -0.48 5.19 3.20 -1.42 -0.54 116.97 122.65 3kqz h TYR 472 Ca -0.01 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.93 3kqz h TYR 472 Cb 1.17 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.53 3kqz h TYR 472 CO 0.03 -0.29 0.09 0.00 -1.64 0.00 0.00 178.16 176.35 3kqz h ALA 473 N 0.14 0.54 -0.24 1.82 0.00 -1.17 -0.82 119.26 119.52 3kqz h ALA 473 Ca -0.05 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kqz h ALA 473 Cb 0.38 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kqz h ALA 473 CO 0.08 -0.31 -0.10 1.49 0.00 0.00 0.00 179.25 180.41 3kqz h GLU 474 N 0.23 0.39 0.00 0.00 4.81 -1.04 -0.53 114.58 118.44 3kqz h GLU 474 Ca 0.24 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3kqz h GLU 474 Cb 0.32 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3kqz h GLU 474 CO -0.32 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.09 3kqz n LYS 475 N -4.25 0.06 0.02 1.92 5.02 -0.23 -2.17 118.16 118.54 3kqz n LYS 475 Ca 0.00 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.75 3kqz n LYS 475 Cb 0.28 -1.61 0.56 0.00 -0.02 0.00 0.00 35.03 34.24 3kqz n LYS 475 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kqz n LEU 476 N -1.72 0.19 -0.97 -0.35 4.77 -0.21 -4.93 117.00 113.78 3kqz n LEU 476 Ca 0.03 0.52 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 3kqz n LEU 476 Cb 0.17 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3kqz n LEU 476 CO 0.14 -0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 176.69 3kqz n GLY 477 N 1.36 0.12 3.79 -0.72 0.00 -0.92 -5.04 105.19 103.79 3kqz n GLY 477 Ca 0.06 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 3kqz n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqz s VAL 478 N -2.49 2.96 -0.09 1.61 -7.23 -1.26 -4.92 120.40 108.98 3kqz s VAL 478 Ca 0.03 0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.50 3kqz s VAL 478 Cb -0.01 -3.03 -0.26 0.00 0.56 0.00 0.00 36.38 33.64 3kqz s VAL 478 CO 0.04 -0.41 0.48 0.44 -0.31 0.00 0.00 175.10 175.34 3kqz h ASP 479 N -1.16 0.31 -3.86 4.85 3.32 -0.96 -3.47 116.42 115.45 3kqz h ASP 479 Ca -0.47 -0.68 -0.52 0.00 0.02 0.00 0.00 57.03 55.38 3kqz h ASP 479 Cb 1.27 -0.10 -0.31 0.00 0.22 0.00 0.00 39.33 40.41 3kqz h ASP 479 CO 0.59 1.61 -0.82 -0.31 -1.72 0.00 0.00 179.24 178.59 3kqz s TYR 480 N -2.57 1.45 -0.16 4.55 2.02 -1.10 -3.65 117.35 117.89 3kqz s TYR 480 Ca -0.17 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 3kqz s TYR 480 Cb 0.07 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 3kqz s TYR 480 CO 0.79 -0.15 -0.17 0.42 -1.57 0.00 0.00 175.55 174.87 3kqz s ILE 481 N 0.11 2.40 -0.14 2.71 1.01 -0.54 -0.69 121.20 126.05 3kqz s ILE 481 Ca -0.04 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3kqz s ILE 481 Cb -0.11 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.38 3kqz s ILE 481 CO 0.02 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.64 3kqz s VAL 482 N 1.00 1.61 0.17 2.92 1.01 0.25 -1.63 120.40 125.73 3kqz s VAL 482 Ca -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3kqz s VAL 482 Cb -0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3kqz s VAL 482 CO -0.04 0.46 0.31 1.51 0.00 0.00 0.00 175.10 177.34 3kqz s ASP 483 N 1.35 6.34 -0.04 3.32 1.47 -0.04 -0.72 116.67 128.35 3kqz s ASP 483 Ca 0.02 0.18 -0.02 0.00 1.18 0.00 0.00 52.55 53.91 3kqz s ASP 483 Cb -0.13 -1.91 0.03 0.00 -0.34 0.00 0.00 42.92 40.56 3kqz s ASP 483 CO -0.09 0.02 0.10 -0.51 0.68 0.00 0.00 175.17 175.37 3kqz s ILE 484 N -1.80 -0.04 -0.28 2.11 2.07 0.76 -0.60 121.20 123.43 3kqz s ILE 484 Ca 0.35 0.14 -0.21 0.00 -1.41 0.00 0.00 60.65 59.52 3kqz s ILE 484 Cb -0.11 -0.17 0.09 0.00 0.13 0.00 0.00 42.46 42.41 3kqz s ILE 484 CO 0.29 0.06 0.77 0.00 -1.91 0.00 0.00 174.94 174.15 3kqz s ALA 485 N 0.83 -1.88 -1.19 1.50 0.00 -0.35 -1.68 121.76 118.98 3kqz s ALA 485 Ca -0.07 2.16 -0.17 0.00 0.00 0.00 0.00 51.96 53.88 3kqz s ALA 485 Cb -0.09 -1.35 0.11 0.00 0.00 0.00 0.00 23.12 21.80 3kqz s ALA 485 CO -0.03 -0.34 1.53 0.95 0.00 0.00 0.00 175.76 177.86 3kqz s THR 486 N 0.87 4.50 -0.18 0.00 -4.23 -1.26 -0.26 115.64 115.07 3kqz s THR 486 Ca -0.04 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.24 3kqz s THR 486 Cb -0.05 -5.03 -0.21 0.00 1.34 0.00 0.00 72.50 68.55 3kqz s THR 486 CO -0.09 -1.81 0.37 0.25 -0.54 0.00 0.00 174.62 172.80 3kqz h LEU 487 N 11.32 0.03 -7.61 4.79 5.85 -1.91 -3.45 115.31 124.33 3kqz h LEU 487 Ca 0.34 -0.65 -0.35 0.00 0.84 0.00 0.00 57.88 58.05 3kqz h LEU 487 Cb 0.91 -0.01 -0.34 0.00 0.37 0.00 0.00 40.66 41.58 3kqz h LEU 487 CO 1.34 1.39 -0.75 0.42 -0.34 0.00 0.00 178.44 180.50 3kqz s THR 488 N -2.34 0.20 0.57 1.05 -4.23 -1.26 -4.94 115.64 104.69 3kqz s THR 488 Ca -0.26 0.08 0.27 0.00 -1.18 0.00 0.00 61.69 60.60 3kqz s THR 488 Cb 0.04 -0.30 0.38 0.00 1.34 0.00 0.00 72.50 73.95 3kqz s THR 488 CO 0.63 0.16 2.02 1.23 -0.54 0.00 0.00 174.62 178.11 3kqz h GLY 489 N 7.32 0.00 2.00 3.99 0.00 -1.93 -2.18 103.07 112.27 3kqz h GLY 489 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kqz h GLY 489 CO 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 177.00 3kqz h ALA 490 N 1.69 1.22 -0.54 3.60 0.00 -1.95 -0.19 119.26 123.08 3kqz h ALA 490 Ca 0.17 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3kqz h ALA 490 Cb 0.82 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3kqz h ALA 490 CO -0.00 0.00 0.37 0.52 0.00 0.00 0.00 179.25 180.13 3kqz h MET 491 N 0.00 0.31 -0.01 0.00 2.86 -1.78 -0.82 114.93 115.49 3kqz h MET 491 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kqz h MET 491 Cb 0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3kqz h MET 491 CO 0.00 0.20 0.00 -0.07 1.06 0.00 0.00 176.91 178.11 3kqz h LEU 492 N 0.32 0.00 0.00 1.22 3.38 -1.25 -0.12 115.31 118.85 3kqz h LEU 492 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3kqz h LEU 492 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kqz h LEU 492 CO -0.06 0.00 -1.27 -1.22 0.09 0.00 0.00 178.44 175.98 3kqz n TYR 493 N -4.05 0.33 -0.02 1.13 4.02 -0.40 -3.52 117.16 114.65 3kqz n TYR 493 Ca -0.03 0.10 -0.02 0.00 -0.01 0.00 0.00 57.90 57.94 3kqz n TYR 493 Cb 0.09 -0.54 -0.01 0.00 -0.02 0.00 0.00 39.34 38.87 3kqz n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqz n SER 494 N -2.16 0.36 0.03 7.72 3.41 -0.59 -4.77 113.62 117.62 3kqz n SER 494 Ca 0.00 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.85 3kqz n SER 494 Cb 0.49 -0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 3kqz n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 495 N -2.83 0.30 0.00 1.04 4.77 -0.42 -5.07 117.00 114.79 3kqz n LEU 495 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3kqz n LEU 495 Cb 0.09 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kqz n LEU 495 CO 0.04 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 3kqz n GLY 496 N 1.24 -0.24 0.15 -0.72 0.00 -0.19 -4.29 105.19 101.14 3kqz n GLY 496 Ca -0.02 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.04 3kqz n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqz n THR 497 N 0.00 0.00 -0.11 2.61 -2.24 -1.26 -4.30 114.28 108.97 3kqz n THR 497 Ca 0.00 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 3kqz n THR 497 Cb 0.00 0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 68.74 3kqz n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqz n SER 498 N -1.03 1.36 -4.43 3.42 7.64 -1.26 -4.23 113.62 115.08 3kqz n SER 498 Ca 0.07 -0.07 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 3kqz n SER 498 Cb 0.36 0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.44 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqz s TYR 499 N -2.51 2.98 0.65 1.43 1.51 -1.26 -4.45 117.35 115.70 3kqz s TYR 499 Ca -0.26 -0.50 -0.15 0.00 -1.01 0.00 0.00 57.07 55.16 3kqz s TYR 499 Cb 0.08 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 3kqz s TYR 499 CO 0.68 -0.20 1.09 0.00 -1.11 0.00 0.00 175.55 176.01 3kqz s ALA 500 N 0.69 2.56 0.09 3.71 0.00 -0.71 -4.64 121.76 123.46 3kqz s ALA 500 Ca -0.02 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 3kqz s ALA 500 Cb -0.15 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3kqz s ALA 500 CO 0.02 -1.15 0.54 0.20 0.00 0.00 0.00 175.76 175.37 3kqz s GLY 501 N -2.82 2.57 -0.10 0.00 0.00 -0.94 -0.43 107.32 105.59 3kqz s GLY 501 Ca 0.65 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 45.34 3kqz s GLY 501 CO 0.42 0.30 -0.22 0.54 0.00 0.00 0.00 173.10 174.14 3kqz s VAL 502 N -1.24 1.96 0.19 1.40 0.11 -0.12 -0.25 120.40 122.45 3kqz s VAL 502 Ca 0.32 -0.95 0.10 0.00 -2.93 0.00 0.00 61.98 58.51 3kqz s VAL 502 Cb -0.17 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 3kqz s VAL 502 CO 0.18 0.54 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.92 3kqz s PHE 503 N 0.47 2.06 0.02 1.54 0.08 0.94 -1.30 117.98 121.79 3kqz s PHE 503 Ca -0.16 -0.41 -0.18 0.00 0.12 0.00 0.00 56.93 56.29 3kqz s PHE 503 Cb -0.17 -1.01 0.06 0.00 -0.57 0.00 0.00 43.02 41.33 3kqz s PHE 503 CO 0.06 0.43 0.83 0.41 -0.10 0.00 0.00 175.22 176.86 3kqz n GLY 504 N 0.19 0.45 0.66 4.36 0.00 -1.26 0.73 105.19 110.34 3kqz n GLY 504 Ca -0.12 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 44.96 3kqz n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kqz n ASN 505 N -0.85 2.89 -3.51 1.61 0.23 0.31 -4.78 115.26 111.17 3kqz n ASN 505 Ca 0.02 -1.95 -0.14 0.00 -0.53 0.00 0.00 54.58 51.98 3kqz n ASN 505 Cb 0.39 -0.22 -0.12 0.00 -2.08 0.00 0.00 39.78 37.76 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 506 N -1.00 0.74 0.26 0.53 3.84 -1.26 -4.85 114.94 113.20 3kqz s ASN 506 Ca 0.24 0.16 -0.02 0.00 0.21 0.00 0.00 52.86 53.45 3kqz s ASN 506 Cb 0.13 0.70 0.47 0.00 -0.55 0.00 0.00 41.25 42.00 3kqz s ASN 506 CO 0.17 -0.29 1.81 -0.33 -2.79 0.00 0.00 177.10 175.66 3kqz h GLU 507 N 8.27 0.79 -0.26 0.43 5.08 -1.96 -1.29 114.58 125.64 3kqz h GLU 507 Ca -0.17 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3kqz h GLU 507 Cb 1.14 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3kqz h GLU 507 CO 0.23 0.53 -0.08 1.49 -1.00 0.00 0.00 179.01 180.18 3kqz h GLU 508 N 0.82 0.51 -0.48 2.33 4.81 -1.99 -0.57 114.58 120.01 3kqz h GLU 508 Ca 0.44 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3kqz h GLU 508 Cb 0.46 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3kqz h GLU 508 CO -0.28 0.74 0.10 1.25 -0.73 0.00 0.00 179.01 180.09 3kqz h LEU 509 N 0.25 0.69 -0.05 1.64 5.85 -1.83 -1.15 115.31 120.72 3kqz h LEU 509 Ca 0.06 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kqz h LEU 509 Cb 0.56 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3kqz h LEU 509 CO 0.03 0.70 0.03 0.40 -0.34 0.00 0.00 178.44 179.25 3kqz h ILE 510 N 0.72 1.09 -0.66 4.05 1.08 -1.05 -1.70 117.51 121.04 3kqz h ILE 510 Ca 0.16 -0.26 0.12 0.00 -0.39 0.00 0.00 64.86 64.49 3kqz h ILE 510 Cb 0.29 1.17 -0.09 0.00 -3.07 0.00 0.00 36.82 35.12 3kqz h ILE 510 CO 0.00 0.07 0.21 0.78 -0.69 0.00 0.00 178.15 178.53 3kqz h ASN 511 N -0.02 0.15 -0.71 1.72 2.35 -0.73 0.21 115.58 118.55 3kqz h ASN 511 Ca 0.02 0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3kqz h ASN 511 Cb 0.10 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 3kqz h ASN 511 CO -0.00 0.07 0.44 0.11 -1.65 0.00 0.00 177.43 176.40 3kqz h LYS 512 N 0.36 0.82 -0.51 0.81 1.57 -0.96 0.29 116.57 118.95 3kqz h LYS 512 Ca 0.35 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3kqz h LYS 512 Cb 0.51 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3kqz h LYS 512 CO -0.38 0.54 0.31 0.82 -0.57 0.00 0.00 179.45 180.17 3kqz h ILE 513 N 0.85 1.15 -0.26 1.86 1.08 -0.21 0.30 117.51 122.27 3kqz h ILE 513 Ca 0.29 -0.33 -0.06 0.00 -0.39 0.00 0.00 64.86 64.38 3kqz h ILE 513 Cb 0.06 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 3kqz h ILE 513 CO -0.13 0.15 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.31 3kqz h LEU 514 N 0.68 0.41 0.11 1.44 3.38 0.34 0.15 115.31 121.81 3kqz h LEU 514 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kqz h LEU 514 Cb -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kqz h LEU 514 CO -0.04 0.55 -0.05 1.56 0.09 0.00 0.00 178.44 180.56 3kqz h GLN 515 N 0.40 -0.14 -0.17 1.13 4.20 0.10 -1.92 115.11 118.71 3kqz h GLN 515 Ca 0.08 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.85 3kqz h GLN 515 Cb 0.43 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3kqz h GLN 515 CO 0.02 0.08 0.14 0.77 -0.67 0.00 0.00 178.83 179.17 3kqz h SER 516 N -0.34 0.00 -0.21 1.46 0.02 -0.56 -0.24 113.55 113.68 3kqz h SER 516 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3kqz h SER 516 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3kqz h SER 516 CO 0.02 0.00 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.39 3kqz h SER 517 N 0.00 0.40 -0.31 3.07 0.87 -0.21 0.29 113.55 117.66 3kqz h SER 517 Ca 0.08 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 3kqz h SER 517 Cb 0.37 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3kqz h SER 517 CO -0.00 0.67 0.17 0.11 -0.53 0.00 0.00 176.83 177.25 3kqz h LYS 518 N 0.12 0.43 0.00 2.24 6.56 -0.32 -0.40 116.57 125.20 3kqz h LYS 518 Ca 0.05 -0.05 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 3kqz h LYS 518 Cb 0.50 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.04 3kqz h LYS 518 CO 0.02 0.36 -1.03 1.79 -2.06 0.00 0.00 179.45 178.53 3kqz h THR 519 N 0.38 1.09 0.00 -0.16 1.35 -1.15 -2.80 112.91 111.62 3kqz h THR 519 Ca 0.11 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 3kqz h THR 519 Cb 0.05 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3kqz h THR 519 CO -0.02 0.62 0.00 0.77 -0.25 0.00 0.00 175.52 176.64 3kqz h SER 520 N 0.00 0.00 -1.05 5.36 4.64 -0.45 -3.48 113.55 118.57 3kqz h SER 520 Ca -0.08 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.93 3kqz h SER 520 Cb 1.65 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.64 3kqz h SER 520 CO 0.09 0.00 -0.31 0.59 -0.87 0.00 0.00 176.83 176.33 3kqz n ASN 521 N -3.06 -4.80 -4.44 4.97 4.13 -0.18 -4.84 115.26 107.04 3kqz n ASN 521 Ca 0.04 0.29 -0.43 0.00 1.68 0.00 0.00 54.58 56.16 3kqz n ASN 521 Cb 0.50 -3.72 -0.09 0.00 -1.54 0.00 0.00 39.78 34.92 3kqz n ASN 521 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3kqz s GLU 522 N -3.62 2.97 0.24 3.52 2.02 -1.11 -5.03 118.70 117.69 3kqz s GLU 522 Ca 0.00 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 3kqz s GLU 522 Cb 0.00 -4.02 -0.09 0.00 0.10 0.00 0.00 34.13 30.12 3kqz s GLU 522 CO 0.00 -0.82 1.10 -1.25 0.02 0.00 0.00 175.26 174.31 3kqz s PRO 523 N 1.67 4.63 0.02 0.39 0.04 -1.26 -4.61 135.00 135.88 3kqz s PRO 523 Ca 0.05 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.87 3kqz s PRO 523 Cb -0.20 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 3kqz s PRO 523 CO 0.09 0.17 -0.05 0.08 0.04 0.00 0.00 177.00 177.34 3kqz s VAL 524 N -0.85 0.30 -0.01 -0.36 1.01 -1.26 -1.74 120.40 117.49 3kqz s VAL 524 Ca 0.46 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3kqz s VAL 524 Cb -0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3kqz s VAL 524 CO 0.39 -0.28 -0.10 0.86 0.00 0.00 0.00 175.10 175.96 3kqz s TRP 525 N -1.00 0.94 -0.21 5.22 -0.11 0.43 -4.89 118.94 119.33 3kqz s TRP 525 Ca -0.09 -0.18 -0.27 0.00 1.22 0.00 0.00 56.10 56.78 3kqz s TRP 525 Cb -0.07 -0.61 -0.00 0.00 -1.50 0.00 0.00 33.47 31.28 3kqz s TRP 525 CO -0.00 -0.02 0.91 -0.46 -4.62 0.00 0.00 176.95 172.76 3kqz s TRP 526 N -0.21 3.37 0.21 5.86 -0.00 -1.26 -0.94 118.94 125.97 3kqz s TRP 526 Ca 0.03 1.32 0.09 0.00 -0.00 0.00 0.00 56.10 57.54 3kqz s TRP 526 Cb -0.04 -3.12 -0.04 0.00 -0.00 0.00 0.00 33.47 30.26 3kqz s TRP 526 CO -0.00 -0.37 -0.02 -0.51 -0.00 0.00 0.00 176.95 176.05 3kqz s LEU 527 N 2.70 3.20 0.11 5.86 1.43 -0.42 -4.91 118.68 126.65 3kqz s LEU 527 Ca 0.40 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 3kqz s LEU 527 Cb -0.16 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3kqz s LEU 527 CO 0.09 0.05 0.42 -2.16 0.23 0.00 0.00 176.35 174.98 3kqz s PRO 528 N -3.23 3.75 -0.59 1.29 0.04 -1.26 -4.41 135.00 130.58 3kqz s PRO 528 Ca 0.29 0.15 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 3kqz s PRO 528 Cb -0.08 -2.94 0.10 0.00 0.04 0.00 0.00 34.50 31.62 3kqz s PRO 528 CO 0.18 0.52 0.72 0.42 0.04 0.00 0.00 177.00 178.88 3kqz s ILE 529 N -1.48 4.78 -0.57 0.56 1.01 -1.26 -4.83 121.20 119.41 3kqz s ILE 529 Ca 0.36 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 3kqz s ILE 529 Cb -0.13 -4.48 0.03 0.00 0.01 0.00 0.00 42.46 37.89 3kqz s ILE 529 CO 0.20 -1.12 1.09 -0.63 0.00 0.00 0.00 174.94 174.48 3kqz s ILE 530 N 2.80 4.17 0.47 2.92 1.01 -1.26 -4.92 121.20 126.38 3kqz s ILE 530 Ca 0.13 0.67 0.20 0.00 0.00 0.00 0.00 60.65 61.65 3kqz s ILE 530 Cb -0.23 -4.65 0.24 0.00 0.01 0.00 0.00 42.46 37.83 3kqz s ILE 530 CO 0.07 -1.24 2.06 0.78 0.00 0.00 0.00 174.94 176.61 3kqz h ASN 531 N 9.44 0.00 -0.12 3.58 2.35 -1.99 -2.24 115.58 126.61 3kqz h ASN 531 Ca -0.25 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.53 3kqz h ASN 531 Cb 1.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 3kqz h ASN 531 CO 1.15 0.12 0.30 -0.08 -1.65 0.00 0.00 177.43 177.27 3kqz h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.04 0.18 114.58 118.34 3kqz h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqz h GLU 532 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3kqz h GLU 532 CO 0.02 0.00 -0.23 0.66 -0.73 0.00 0.00 179.01 178.73 3kqz n TYR 533 N -3.25 0.00 -0.12 0.92 4.01 -0.84 -4.15 117.16 113.73 3kqz n TYR 533 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3kqz n TYR 533 Cb 0.39 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3kqz n TYR 533 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kqz h ARG 534 N 0.34 0.52 -1.05 -0.72 9.65 -1.14 -1.52 114.38 120.46 3kqz h ARG 534 Ca 0.00 -0.03 0.30 0.00 -1.10 0.00 0.00 59.98 59.15 3kqz h ARG 534 Cb 0.45 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 3kqz h ARG 534 CO 0.00 0.34 0.74 0.00 2.80 0.00 0.00 179.97 183.86 3kqz h ALA 535 N 1.14 2.84 0.00 2.80 0.00 -1.76 0.28 119.26 124.57 3kqz h ALA 535 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kqz h ALA 535 Cb -0.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kqz h ALA 535 CO -0.03 -1.16 0.00 0.25 0.00 0.00 0.00 179.25 178.31 3kqz n THR 536 N -4.30 0.00 -0.06 0.00 -2.24 -0.57 -1.17 114.28 105.94 3kqz n THR 536 Ca 0.23 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 3kqz n THR 536 Cb 1.07 -0.32 0.22 0.00 -2.10 0.00 0.00 70.33 69.20 3kqz n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqz n LEU 537 N -0.77 3.34 -4.60 3.22 4.77 1.00 -4.29 117.00 119.67 3kqz n LEU 537 Ca 0.12 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.89 3kqz n LEU 537 Cb 0.06 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3kqz n LEU 537 CO 0.09 0.79 1.25 0.20 -1.33 0.00 0.00 177.39 178.39 3kqz s ASN 538 N -1.12 6.29 0.44 -1.43 0.01 -0.32 0.19 114.94 118.99 3kqz s ASN 538 Ca 0.35 0.79 -0.21 0.00 -0.71 0.00 0.00 52.86 53.07 3kqz s ASN 538 Cb 0.19 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 39.21 3kqz s ASN 538 CO 0.26 -1.48 0.99 -0.55 -1.51 0.00 0.00 177.10 174.80 3kqz s SER 539 N 4.10 6.77 0.20 -1.22 0.15 -1.26 -4.78 113.70 117.67 3kqz s SER 539 Ca 0.61 1.81 0.10 0.00 0.70 0.00 0.00 55.95 59.17 3kqz s SER 539 Cb -0.14 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.67 3kqz s SER 539 CO 0.32 -0.48 1.43 0.50 1.20 0.00 0.00 173.24 176.21 3kqz h LYS 540 N 1.96 0.00 0.00 5.44 1.63 -1.96 -3.40 116.57 120.24 3kqz h LYS 540 Ca -0.49 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.15 3kqz h LYS 540 Cb 1.20 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.80 3kqz h LYS 540 CO 0.61 0.78 -1.57 0.66 -3.45 0.00 0.00 179.45 176.48 3kqz n TYR 541 N -3.47 0.00 -2.52 1.91 4.01 -1.26 -5.04 117.16 110.80 3kqz n TYR 541 Ca -0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 3kqz n TYR 541 Cb 0.79 -0.37 0.04 0.00 -0.31 0.00 0.00 39.34 39.48 3kqz n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ALA 542 N -2.19 3.46 0.42 -0.72 0.00 -1.26 -4.96 121.76 116.51 3kqz s ALA 542 Ca -0.14 -0.92 0.18 0.00 0.00 0.00 0.00 51.96 51.07 3kqz s ALA 542 Cb 0.05 -2.42 1.09 0.00 0.00 0.00 0.00 23.12 21.84 3kqz s ALA 542 CO 0.20 -0.81 1.87 -0.44 0.00 0.00 0.00 175.76 176.57 3kqz h ASP 543 N -0.11 0.39 -4.58 0.00 3.32 -1.82 -3.38 116.42 110.24 3kqz h ASP 543 Ca -0.45 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 3kqz h ASP 543 Cb 1.27 -0.04 -0.21 0.00 0.22 0.00 0.00 39.33 40.58 3kqz h ASP 543 CO 0.58 0.16 0.29 -0.51 -1.72 0.00 0.00 179.24 178.05 3kqz s ILE 544 N -5.41 0.00 0.20 0.35 2.07 -1.02 -4.49 121.20 112.90 3kqz s ILE 544 Ca -0.08 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.00 3kqz s ILE 544 Cb 0.22 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.74 3kqz s ILE 544 CO 0.78 0.00 0.64 0.20 -1.91 0.00 0.00 174.94 174.65 3kqz s ASN 545 N -0.94 6.89 0.20 4.50 0.01 0.13 -0.73 114.94 125.00 3kqz s ASN 545 Ca -0.07 1.22 0.04 0.00 -0.71 0.00 0.00 52.86 53.34 3kqz s ASN 545 Cb -0.01 -2.34 0.12 0.00 0.41 0.00 0.00 41.25 39.43 3kqz s ASN 545 CO 0.06 0.02 1.47 -0.61 -1.51 0.00 0.00 177.10 176.53 3kqz h GLN 546 N 3.25 0.17 -4.98 -0.60 4.15 -1.68 -3.46 115.11 111.95 3kqz h GLN 546 Ca -0.48 -0.16 -0.35 0.00 0.77 0.00 0.00 58.65 58.43 3kqz h GLN 546 Cb 1.19 0.04 -0.14 0.00 0.21 0.00 0.00 27.48 28.77 3kqz h GLN 546 CO 0.66 0.85 -0.65 0.96 -1.93 0.00 0.00 178.83 178.71 3kqz s ILE 547 N -3.43 0.88 -0.04 2.39 -4.36 -1.26 -4.90 121.20 110.48 3kqz s ILE 547 Ca -0.03 -2.01 -0.15 0.00 -0.26 0.00 0.00 60.65 58.20 3kqz s ILE 547 Cb 0.11 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.46 3kqz s ILE 547 CO 0.81 -0.34 0.39 -0.55 0.24 0.00 0.00 174.94 175.49 3kqz s SER 548 N -3.27 6.73 0.26 4.36 0.15 -1.26 -4.70 113.70 115.97 3kqz s SER 548 Ca 0.28 0.87 0.23 0.00 0.70 0.00 0.00 55.95 58.04 3kqz s SER 548 Cb 0.06 -2.24 0.25 0.00 -1.71 0.00 0.00 66.02 62.38 3kqz s SER 548 CO 0.08 0.26 1.34 0.77 1.20 0.00 0.00 173.24 176.89 3kqz h SER 549 N 5.19 0.00 0.00 5.45 4.64 -2.01 -3.40 113.55 123.42 3kqz h SER 549 Ca -0.49 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 3kqz h SER 549 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kqz h SER 549 CO 0.65 0.02 -1.48 -1.54 -0.87 0.00 0.00 176.83 173.61 3kqz n SER 550 N -2.65 2.66 -4.59 4.97 3.41 -1.26 -4.97 113.62 111.19 3kqz n SER 550 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 3kqz n SER 550 Cb 0.51 1.44 -0.10 0.00 -0.26 0.00 0.00 64.21 65.79 3kqz n SER 550 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqz s VAL 551 N -2.69 4.72 -1.34 -3.33 1.01 -1.26 -4.95 120.40 112.56 3kqz s VAL 551 Ca -0.04 -0.05 0.26 0.00 0.00 0.00 0.00 61.98 62.16 3kqz s VAL 551 Cb 0.06 -3.15 0.18 0.00 0.00 0.00 0.00 36.38 33.48 3kqz s VAL 551 CO 0.42 0.42 1.59 0.29 0.00 0.00 0.00 175.10 177.83 3kqz n LYS 552 N 3.90 0.37 -1.39 2.72 4.76 -1.26 -4.50 118.16 122.75 3kqz n LYS 552 Ca -0.16 -0.19 -0.41 0.00 -2.87 0.00 0.00 58.31 54.68 3kqz n LYS 552 Cb 0.52 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kqz n ALA 553 N -1.15 4.81 0.51 7.82 0.00 -1.26 -4.72 120.51 126.52 3kqz n ALA 553 Ca 0.09 -3.48 0.13 0.00 0.00 0.00 0.00 53.44 50.18 3kqz n ALA 553 Cb 0.33 -3.52 0.42 0.00 0.00 0.00 0.00 19.45 16.68 3kqz n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqz h SER 554 N 6.66 0.00 0.35 0.00 4.64 -1.98 -0.75 113.55 122.48 3kqz h SER 554 Ca 0.53 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.71 3kqz h SER 554 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3kqz h SER 554 CO 1.87 0.00 -0.61 0.28 -0.87 0.00 0.00 176.83 177.50 3kqz h SER 555 N 0.00 0.29 0.08 4.97 0.02 -1.94 0.70 113.55 117.66 3kqz h SER 555 Ca 0.00 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 3kqz h SER 555 Cb 0.66 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.13 3kqz h SER 555 CO 0.00 0.83 -0.44 0.40 -1.14 0.00 0.00 176.83 176.48 3kqz h ILE 556 N 0.19 1.65 -0.38 3.27 2.04 -1.68 -2.73 117.51 119.86 3kqz h ILE 556 Ca -0.01 -2.45 0.06 0.00 1.00 0.00 0.00 64.86 63.46 3kqz h ILE 556 Cb 1.12 3.30 -0.05 0.00 -0.74 0.00 0.00 36.82 40.44 3kqz h ILE 556 CO 0.10 0.67 0.07 0.58 0.00 0.00 0.00 178.15 179.56 3kqz h VAL 557 N -0.66 0.80 -0.78 1.67 2.07 -1.19 0.11 116.25 118.26 3kqz h VAL 557 Ca -0.08 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3kqz h VAL 557 Cb 1.35 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3kqz h VAL 557 CO 0.08 0.04 0.51 0.00 0.02 0.00 0.00 177.57 178.22 3kqz h ALA 558 N 1.29 1.65 -0.34 1.67 0.00 -0.90 -1.17 119.26 121.47 3kqz h ALA 558 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3kqz h ALA 558 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kqz h ALA 558 CO -0.25 0.23 -0.09 0.77 0.00 0.00 0.00 179.25 179.90 3kqz h SER 559 N 0.83 0.67 -0.90 0.00 0.02 -0.95 -0.22 113.55 113.00 3kqz h SER 559 Ca 0.34 -0.37 0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3kqz h SER 559 Cb 0.25 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 3kqz h SER 559 CO -0.12 0.89 0.53 -0.07 -1.14 0.00 0.00 176.83 176.92 3kqz h LEU 560 N 0.44 0.76 0.22 5.07 3.38 -0.30 -0.51 115.31 124.38 3kqz h LEU 560 Ca 0.08 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3kqz h LEU 560 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kqz h LEU 560 CO 0.04 0.41 -0.11 0.15 0.09 0.00 0.00 178.44 179.02 3kqz h PHE 561 N 0.86 -0.28 -0.69 1.13 3.04 -0.93 -2.69 116.94 117.37 3kqz h PHE 561 Ca 0.45 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.56 3kqz h PHE 561 Cb 0.45 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.01 3kqz h PHE 561 CO -0.04 0.03 0.48 -0.07 -2.02 0.00 0.00 178.31 176.69 3kqz h LEU 562 N -0.59 0.17 -1.35 0.59 3.38 -0.59 -1.57 115.31 115.35 3kqz h LEU 562 Ca -0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kqz h LEU 562 Cb 0.43 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kqz h LEU 562 CO 0.05 0.08 -0.01 0.50 0.09 0.00 0.00 178.44 179.15 3kqz h LYS 563 N 0.18 0.00 0.00 1.13 3.64 -0.76 -1.84 116.57 118.92 3kqz h LYS 563 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3kqz h LYS 563 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3kqz h LYS 563 CO -0.06 0.01 0.00 0.39 -2.27 0.00 0.00 179.45 177.52 3kqz n GLU 564 N -3.11 0.06 -0.19 1.90 -0.58 -0.59 -2.99 120.64 115.14 3kqz n GLU 564 Ca 0.01 0.27 0.06 0.00 -0.42 0.00 0.00 57.16 57.08 3kqz n GLU 564 Cb 0.33 -1.61 0.17 0.00 -0.57 0.00 0.00 31.44 29.76 3kqz n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kqz n PHE 565 N -1.71 0.51 -4.01 -0.32 3.01 -0.69 -4.76 117.46 109.48 3kqz n PHE 565 Ca 0.04 -0.49 -0.31 0.00 1.01 0.00 0.00 57.45 57.69 3kqz n PHE 565 Cb 0.21 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.50 3kqz n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqz s VAL 566 N -1.00 2.00 -0.01 -4.37 1.01 -1.16 -3.93 120.40 112.94 3kqz s VAL 566 Ca 0.26 -1.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.24 3kqz s VAL 566 Cb 0.13 -2.28 -0.20 0.00 0.00 0.00 0.00 36.38 34.04 3kqz s VAL 566 CO 0.18 -0.27 1.18 1.56 0.00 0.00 0.00 175.10 177.74 3kqz h GLN 567 N 7.77 0.26 -0.01 2.72 7.50 -1.86 -3.43 115.11 128.07 3kqz h GLN 567 Ca -0.14 -0.21 -0.16 0.00 0.50 0.00 0.00 58.65 58.65 3kqz h GLN 567 Cb 1.04 0.04 -0.26 0.00 0.05 0.00 0.00 27.48 28.35 3kqz h GLN 567 CO 0.47 0.85 -0.65 -1.71 -1.50 0.00 0.00 178.83 176.28 3kqz n ASN 568 N -4.51 -0.03 -4.05 1.46 5.15 -1.26 -5.10 115.26 106.91 3kqz n ASN 568 Ca -0.08 -2.01 -0.13 0.00 -0.60 0.00 0.00 54.58 51.76 3kqz n ASN 568 Cb 0.45 0.02 -0.12 0.00 -0.53 0.00 0.00 39.78 39.61 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqz s THR 569 N -0.10 0.51 0.07 -0.44 2.01 -1.26 -5.11 115.64 111.32 3kqz s THR 569 Ca 0.16 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.86 3kqz s THR 569 Cb 0.20 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 72.08 3kqz s THR 569 CO -0.08 -0.34 1.30 0.00 -0.69 0.00 0.00 174.62 174.80 3kqz s ALA 570 N -1.27 3.50 -0.07 7.40 0.00 -1.24 -4.94 121.76 125.14 3kqz s ALA 570 Ca -0.09 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3kqz s ALA 570 Cb -0.09 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.54 3kqz s ALA 570 CO 0.00 -0.58 0.19 -0.46 0.00 0.00 0.00 175.76 174.91 3kqz s TRP 571 N 1.32 -0.20 0.00 0.00 -0.00 -1.26 -1.47 118.94 117.34 3kqz s TRP 571 Ca 0.61 0.48 -0.04 0.00 -0.00 0.00 0.00 56.10 57.15 3kqz s TRP 571 Cb -0.32 0.07 -0.01 0.00 -0.00 0.00 0.00 33.47 33.21 3kqz s TRP 571 CO 0.29 -0.12 0.07 0.00 -0.00 0.00 0.00 176.95 177.19 3kqz s ALA 572 N -0.00 -0.16 -0.06 5.86 0.00 -0.64 -0.53 121.76 126.22 3kqz s ALA 572 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.72 3kqz s ALA 572 Cb -0.02 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3kqz s ALA 572 CO 0.00 -0.17 -0.08 -1.58 0.00 0.00 0.00 175.76 173.93 3kqz s HIS 573 N -1.23 1.18 -0.31 0.00 2.46 0.23 -0.86 115.29 116.76 3kqz s HIS 573 Ca -0.13 -0.43 -0.03 0.00 0.47 0.00 0.00 55.06 54.94 3kqz s HIS 573 Cb -0.08 -0.93 0.04 0.00 -0.13 0.00 0.00 32.58 31.48 3kqz s HIS 573 CO 0.00 -0.28 0.03 0.42 -2.47 0.00 0.00 174.74 172.45 3kqz s ILE 574 N 0.93 3.26 -0.43 0.89 1.01 0.23 -0.04 121.20 127.05 3kqz s ILE 574 Ca -0.10 -1.25 -0.23 0.00 0.00 0.00 0.00 60.65 59.07 3kqz s ILE 574 Cb -0.15 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.51 3kqz s ILE 574 CO 0.01 -0.09 0.78 -0.62 0.00 0.00 0.00 174.94 175.01 3kqz s ASP 575 N 1.31 6.44 -0.27 3.58 -1.08 0.66 -1.21 116.67 126.10 3kqz s ASP 575 Ca -0.03 0.01 0.11 0.00 -0.52 0.00 0.00 52.55 52.12 3kqz s ASP 575 Cb -0.19 -2.39 0.57 0.00 -1.46 0.00 0.00 42.92 39.45 3kqz s ASP 575 CO -0.00 -0.86 1.55 2.30 0.52 0.00 0.00 175.17 178.68 3kqz n ILE 576 N 6.03 2.58 -0.24 4.11 -5.35 0.63 -2.22 119.36 124.91 3kqz n ILE 576 Ca 0.02 -2.19 -0.07 0.00 -0.27 0.00 0.00 62.75 60.24 3kqz n ILE 576 Cb 0.48 -0.32 0.04 0.00 -1.74 0.00 0.00 39.64 38.10 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 1.55 0.86 0.00 -1.28 0.00 -1.82 -1.35 119.26 117.22 3kqz h ALA 577 Ca 0.19 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3kqz h ALA 577 Cb 1.80 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3kqz h ALA 577 CO 0.45 0.52 -0.55 0.78 0.00 0.00 0.00 179.25 180.45 3kqz h GLY 578 N 0.95 0.00 0.00 0.00 0.00 -1.81 -3.38 103.07 98.84 3kqz h GLY 578 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3kqz h GLY 578 CO -0.01 0.00 -1.25 3.33 0.00 0.00 0.00 176.54 178.61 3kqz n VAL 579 N -3.50 0.00 -0.19 4.60 0.24 -1.02 -4.23 118.33 114.23 3kqz n VAL 579 Ca 0.00 -0.23 -0.07 0.00 -2.04 0.00 0.00 64.34 62.00 3kqz n VAL 579 Cb 0.65 0.60 0.07 0.00 -1.47 0.00 0.00 33.84 33.70 3kqz n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqz h SER 580 N 0.00 0.97 -3.50 -1.34 0.87 -1.43 -3.41 113.55 105.72 3kqz h SER 580 Ca 0.00 -0.25 -0.63 0.00 -1.23 0.00 0.00 61.79 59.69 3kqz h SER 580 Cb 0.58 -0.26 -0.17 0.00 -0.44 0.00 0.00 62.40 62.11 3kqz h SER 580 CO 0.00 1.00 -0.56 0.86 -0.53 0.00 0.00 176.83 177.61 3kqz s TRP 581 N -5.09 3.23 -0.70 2.24 -0.11 -1.26 -0.38 118.94 116.88 3kqz s TRP 581 Ca -0.11 0.02 -0.27 0.00 1.22 0.00 0.00 56.10 56.96 3kqz s TRP 581 Cb 0.14 -2.19 0.03 0.00 -1.50 0.00 0.00 33.47 29.96 3kqz s TRP 581 CO 0.84 -0.00 1.24 1.21 -4.62 0.00 0.00 176.95 175.62 3kqz s ASN 582 N 0.93 6.23 0.19 5.86 3.84 0.30 -4.90 114.94 127.39 3kqz s ASN 582 Ca 0.05 -0.36 -0.08 0.00 0.21 0.00 0.00 52.86 52.68 3kqz s ASN 582 Cb -0.14 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.11 3kqz s ASN 582 CO 0.03 -1.73 1.67 -0.26 -2.79 0.00 0.00 177.10 174.02 3kqz h PHE 583 N 9.89 1.17 0.17 0.43 -1.00 -1.96 -0.52 116.94 125.13 3kqz h PHE 583 Ca -0.27 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.33 3kqz h PHE 583 Cb 1.05 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 3kqz h PHE 583 CO 1.10 1.01 -0.18 0.87 -1.61 0.00 0.00 178.31 179.50 3kqz h LYS 584 N 1.00 -0.37 -0.01 1.51 1.57 -1.95 -3.14 116.57 115.18 3kqz h LYS 584 Ca 0.19 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3kqz h LYS 584 Cb 0.51 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3kqz h LYS 584 CO 0.02 -0.24 -0.06 0.00 -0.57 0.00 0.00 179.45 178.60 3kqz n ALA 585 N -2.41 2.70 -3.86 3.86 0.00 -1.15 -4.94 120.51 114.71 3kqz n ALA 585 Ca -0.08 -0.41 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 3kqz n ALA 585 Cb 0.22 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.50 3kqz n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqz n ARG 586 N -0.15 -5.31 -3.81 0.00 1.74 -0.22 -4.99 116.66 103.92 3kqz n ARG 586 Ca 0.18 0.60 -0.10 0.00 -0.77 0.00 0.00 57.85 57.76 3kqz n ARG 586 Cb 0.33 -5.38 -0.05 0.00 -1.02 0.00 0.00 32.46 26.34 3kqz n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqz s LYS 587 N -6.45 1.20 0.88 5.56 -2.85 -1.10 -5.02 119.74 111.97 3kqz s LYS 587 Ca 0.46 -0.96 -0.11 0.00 -1.00 0.00 0.00 55.97 54.36 3kqz s LYS 587 Cb -0.23 0.45 0.12 0.00 -2.06 0.00 0.00 37.83 36.11 3kqz s LYS 587 CO 0.83 -0.47 1.09 -2.14 0.10 0.00 0.00 175.35 174.76 3kqz s PRO 588 N -3.89 1.36 0.03 1.78 0.02 -1.26 -0.54 135.00 132.49 3kqz s PRO 588 Ca 0.11 0.88 0.22 0.00 0.02 0.00 0.00 61.00 62.22 3kqz s PRO 588 Cb 0.01 -1.82 -0.15 0.00 0.02 0.00 0.00 34.50 32.57 3kqz s PRO 588 CO -0.04 -2.19 0.80 1.63 -0.33 0.00 0.00 177.00 176.87 3kqz n LYS 589 N -3.85 0.41 -2.52 5.54 5.02 0.49 -4.62 118.16 118.63 3kqz n LYS 589 Ca 0.07 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 3kqz n LYS 589 Cb 0.55 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3kqz n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 590 N 1.33 -0.43 3.66 0.72 0.00 -1.26 -4.91 105.19 104.30 3kqz n GLY 590 Ca -0.00 -0.03 -0.49 0.00 0.00 0.00 0.00 46.02 45.49 3kqz n GLY 590 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kqz n PHE 591 N -4.13 2.12 0.00 1.61 7.35 -1.26 -3.10 117.46 120.05 3kqz n PHE 591 Ca -0.20 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 3kqz n PHE 591 Cb 0.66 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.96 3kqz n PHE 591 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kqz n GLY 592 N 3.63 2.40 0.16 7.13 0.00 -1.26 -4.72 105.19 112.52 3kqz n GLY 592 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3kqz n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 593 N 0.00 0.83 -0.51 1.61 2.07 -1.74 0.09 116.25 118.60 3kqz h VAL 593 Ca 0.00 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 3kqz h VAL 593 Cb 0.00 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3kqz h VAL 593 CO 0.00 0.09 -0.11 0.03 0.02 0.00 0.00 177.57 177.60 3kqz h ARG 594 N -0.50 0.95 -0.41 1.57 3.08 -1.90 -1.20 114.38 115.97 3kqz h ARG 594 Ca -0.03 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 3kqz h ARG 594 Cb 0.38 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3kqz h ARG 594 CO 0.05 1.01 0.21 1.25 -1.07 0.00 0.00 179.97 181.42 3kqz h LEU 595 N 0.85 0.53 -0.42 3.04 5.85 -1.82 -0.43 115.31 122.92 3kqz h LEU 595 Ca 0.13 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3kqz h LEU 595 Cb 0.65 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3kqz h LEU 595 CO 0.05 0.50 0.05 -0.07 -0.34 0.00 0.00 178.44 178.63 3kqz h LEU 596 N 0.53 0.67 -0.30 2.25 3.38 -0.86 -1.41 115.31 119.57 3kqz h LEU 596 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kqz h LEU 596 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kqz h LEU 596 CO -0.02 0.77 0.19 0.74 0.09 0.00 0.00 178.44 180.22 3kqz h THR 597 N 0.55 1.08 -0.87 0.22 2.02 -0.96 0.29 112.91 115.24 3kqz h THR 597 Ca 0.12 -0.17 0.11 0.00 0.77 0.00 0.00 66.41 67.25 3kqz h THR 597 Cb 0.40 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3kqz h THR 597 CO 0.01 0.08 0.56 -0.33 0.37 0.00 0.00 175.52 176.21 3kqz h GLU 598 N 0.40 0.76 -0.25 6.66 4.39 -1.05 0.41 114.58 125.89 3kqz h GLU 598 Ca 0.11 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3kqz h GLU 598 Cb -0.03 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3kqz h GLU 598 CO -0.02 0.50 -0.06 0.35 -1.16 0.00 0.00 179.01 178.62 3kqz h PHE 599 N 0.78 0.55 -0.33 4.33 3.57 -0.05 -0.70 116.94 125.09 3kqz h PHE 599 Ca 0.42 -0.12 -0.12 0.00 3.53 0.00 0.00 57.97 61.68 3kqz h PHE 599 Cb 0.53 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3kqz h PHE 599 CO -0.00 0.70 -0.29 0.28 -2.23 0.00 0.00 178.31 176.77 3kqz h VAL 600 N 0.24 1.28 -0.03 1.41 2.07 -0.23 -3.13 116.25 117.85 3kqz h VAL 600 Ca 0.07 -1.40 -0.17 0.00 0.82 0.00 0.00 66.70 66.01 3kqz h VAL 600 Cb 0.52 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3kqz h VAL 600 CO 0.02 0.46 -0.75 -0.07 0.02 0.00 0.00 177.57 177.26 3kqz h LEU 601 N 0.58 0.26 0.26 2.57 4.07 0.01 -3.37 115.31 119.70 3kqz h LEU 601 Ca 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3kqz h LEU 601 Cb 0.79 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3kqz h LEU 601 CO 0.06 0.91 -0.13 0.78 -1.08 0.00 0.00 178.44 178.99 3kqz h ASN 602 N 0.14 -0.30 0.00 -0.43 4.21 -1.07 -3.50 115.58 114.63 3kqz h ASN 602 Ca -0.03 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.34 3kqz h ASN 602 Cb 1.31 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 3kqz h ASN 602 CO 0.11 -0.01 0.00 0.47 -1.29 0.00 0.00 177.43 176.71