#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s SER 86 N 0.00 6.34 0.08 0.00 0.01 -1.26 -5.08 113.70 113.78 3kqz s SER 86 Ca 0.00 0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.16 3kqz s SER 86 Cb 0.00 -1.92 -0.06 0.00 0.21 0.00 0.00 66.02 64.24 3kqz s SER 86 CO 0.00 -0.00 1.27 -1.83 0.41 0.00 0.00 173.24 173.09 3kqz s GLU 87 N -3.45 4.39 -0.02 12.44 1.03 -1.26 -4.92 118.70 126.92 3kqz s GLU 87 Ca 0.35 1.88 -0.29 0.00 0.03 0.00 0.00 54.97 56.95 3kqz s GLU 87 Cb -0.11 -3.32 -0.03 0.00 -0.80 0.00 0.00 34.13 29.87 3kqz s GLU 87 CO 0.29 -0.34 0.93 0.54 -1.33 0.00 0.00 175.26 175.36 3kqz s VAL 88 N 1.14 4.90 0.47 1.83 0.11 -1.26 -5.01 120.40 122.58 3kqz s VAL 88 Ca 0.61 1.95 -0.22 0.00 -2.93 0.00 0.00 61.98 61.39 3kqz s VAL 88 Cb -0.32 -4.27 -0.07 0.00 -1.53 0.00 0.00 36.38 30.19 3kqz s VAL 88 CO 0.29 0.17 1.15 -2.16 -3.33 0.00 0.00 175.10 171.22 3kqz s PRO 89 N 1.01 3.72 0.12 1.54 0.04 -1.26 -4.95 135.00 135.21 3kqz s PRO 89 Ca 0.49 1.71 0.11 0.00 0.04 0.00 0.00 61.00 63.35 3kqz s PRO 89 Cb -0.20 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 3kqz s PRO 89 CO 0.26 -0.57 -0.26 -0.65 0.04 0.00 0.00 177.00 175.81 3kqz s GLN 90 N -2.80 1.41 -0.15 4.56 -0.21 -1.26 -5.03 119.66 116.18 3kqz s GLN 90 Ca 0.65 -1.31 -0.21 0.00 0.02 0.00 0.00 55.36 54.50 3kqz s GLN 90 Cb -0.27 -1.87 -0.24 0.00 1.00 0.00 0.00 33.01 31.64 3kqz s GLN 90 CO 0.32 0.45 0.46 0.28 -2.12 0.00 0.00 175.29 174.68 3kqz h VAL 91 N 3.93 1.15 -2.55 1.09 2.07 -1.96 -3.48 116.25 116.50 3kqz h VAL 91 Ca -0.50 -2.30 -0.51 0.00 0.82 0.00 0.00 66.70 64.21 3kqz h VAL 91 Cb 1.17 2.66 -0.14 0.00 -1.52 0.00 0.00 31.29 33.46 3kqz h VAL 91 CO 0.39 0.53 -0.69 0.68 0.02 0.00 0.00 177.57 178.50 3kqz s VAL 92 N -2.37 1.79 -0.37 2.57 -7.23 -1.26 -5.03 120.40 108.49 3kqz s VAL 92 Ca -0.23 -2.16 0.26 0.00 -1.81 0.00 0.00 61.98 58.03 3kqz s VAL 92 Cb 0.03 -2.42 0.29 0.00 0.56 0.00 0.00 36.38 34.84 3kqz s VAL 92 CO 0.68 -0.33 1.78 0.77 -0.31 0.00 0.00 175.10 177.69 3kqz h SER 93 N 2.27 0.00 0.55 4.85 4.64 -2.03 -1.61 113.55 122.23 3kqz h SER 93 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kqz h SER 93 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kqz h SER 93 CO 0.67 0.00 -0.08 0.18 -0.87 0.00 0.00 176.83 176.73 3kqz n LEU 94 N -2.45 0.21 -4.74 5.97 4.77 -1.26 -4.84 117.00 114.67 3kqz n LEU 94 Ca 0.02 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 3kqz n LEU 94 Cb 0.27 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3kqz n LEU 94 CO 0.23 0.04 1.11 -1.81 -1.33 0.00 0.00 177.39 175.63 3kqz s ASP 95 N -2.63 6.68 0.52 -1.43 1.01 -0.61 -4.96 116.67 115.26 3kqz s ASP 95 Ca 0.25 2.59 -0.20 0.00 0.71 0.00 0.00 52.55 55.91 3kqz s ASP 95 Cb 0.20 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.45 3kqz s ASP 95 CO 0.49 -0.70 1.10 -2.16 0.21 0.00 0.00 175.17 174.11 3kqz s PRO 96 N 0.12 3.51 0.00 8.23 0.04 -1.26 -4.96 135.00 140.67 3kqz s PRO 96 Ca 0.62 1.53 0.09 0.00 0.04 0.00 0.00 61.00 63.28 3kqz s PRO 96 Cb -0.41 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.27 3kqz s PRO 96 CO 0.39 -0.70 1.04 0.25 0.04 0.00 0.00 177.00 178.01 3kqz n THR 97 N -1.17 0.59 -3.62 1.26 -2.24 -1.26 -4.82 114.28 103.02 3kqz n THR 97 Ca 0.11 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 3kqz n THR 97 Cb 0.51 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.91 -0.33 -0.16 3.42 1.04 -1.26 -4.69 113.70 110.82 3kqz s SER 98 Ca 0.16 -0.30 -0.27 0.00 0.48 0.00 0.00 55.95 56.02 3kqz s SER 98 Cb 0.09 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3kqz s SER 98 CO 0.12 -0.96 0.90 -0.63 0.98 0.00 0.00 173.24 173.65 3kqz s ILE 99 N -3.82 4.83 0.19 -1.02 1.01 -1.25 -4.87 121.20 116.27 3kqz s ILE 99 Ca 0.05 1.78 -0.31 0.00 0.00 0.00 0.00 60.65 62.17 3kqz s ILE 99 Cb 0.00 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 3kqz s ILE 99 CO -0.09 -0.00 1.43 -2.16 0.00 0.00 0.00 174.94 174.12 3kqz s PRO 100 N 2.23 4.30 -0.08 2.79 0.04 -1.26 -5.01 135.00 138.00 3kqz s PRO 100 Ca 0.41 2.20 0.03 0.00 0.04 0.00 0.00 61.00 63.68 3kqz s PRO 100 Cb -0.17 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.21 3kqz s PRO 100 CO 0.13 -0.43 -0.16 0.42 0.04 0.00 0.00 177.00 177.00 3kqz s ILE 101 N 0.54 1.48 -0.24 0.56 -1.09 -1.26 -4.98 121.20 116.21 3kqz s ILE 101 Ca 0.62 -0.67 -0.22 0.00 -2.23 0.00 0.00 60.65 58.15 3kqz s ILE 101 Cb -0.40 -1.32 -0.02 0.00 -1.58 0.00 0.00 42.46 39.15 3kqz s ILE 101 CO 0.36 0.43 0.70 -1.61 -1.23 0.00 0.00 174.94 173.60 3kqz s GLU 102 N 0.64 4.16 -0.25 2.79 0.41 -1.26 -4.95 118.70 120.23 3kqz s GLU 102 Ca -0.14 0.70 -0.16 0.00 -0.41 0.00 0.00 54.97 54.96 3kqz s GLU 102 Cb -0.16 -3.63 -0.14 0.00 -1.78 0.00 0.00 34.13 28.42 3kqz s GLU 102 CO 0.04 -0.42 -0.20 0.66 -0.49 0.00 0.00 175.26 174.86 3kqz n TYR 103 N 5.69 0.30 -2.79 1.61 4.02 -1.26 -4.82 117.16 119.91 3kqz n TYR 103 Ca 0.01 0.13 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 3kqz n TYR 103 Cb 0.49 -1.01 -0.04 0.00 -0.02 0.00 0.00 39.34 38.76 3kqz n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqz s ASN 104 N -7.25 6.29 0.27 7.72 0.01 -1.26 -5.01 114.94 115.72 3kqz s ASN 104 Ca -0.35 -0.47 0.08 0.00 -0.71 0.00 0.00 52.86 51.40 3kqz s ASN 104 Cb 0.12 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 3kqz s ASN 104 CO 0.51 -1.36 0.17 0.42 -1.51 0.00 0.00 177.10 175.33 3kqz s THR 105 N 4.26 4.15 0.56 1.60 -4.23 -1.26 -5.00 115.64 115.71 3kqz s THR 105 Ca 0.30 -1.49 0.24 0.00 -1.18 0.00 0.00 61.69 59.56 3kqz s THR 105 Cb -0.13 -3.28 0.33 0.00 1.34 0.00 0.00 72.50 70.76 3kqz s THR 105 CO 0.17 -0.33 2.17 -0.65 -0.54 0.00 0.00 174.62 175.44 3kqz h PRO 106 N 1.53 0.00 -0.75 3.99 0.11 -2.00 -0.26 132.00 134.61 3kqz h PRO 106 Ca -0.47 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.72 3kqz h PRO 106 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3kqz h PRO 106 CO 0.60 0.00 0.49 0.82 -0.21 0.00 0.00 178.00 179.71 3kqz h ILE 107 N 0.00 0.99 0.00 4.15 1.08 -1.94 -1.26 117.51 120.53 3kqz h ILE 107 Ca 0.04 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3kqz h ILE 107 Cb 0.17 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 3kqz h ILE 107 CO -0.00 0.14 0.00 1.41 -0.69 0.00 0.00 178.15 179.00 3kqz n HIS 108 N -4.49 0.74 0.87 1.37 8.25 -0.11 -2.31 115.22 119.53 3kqz n HIS 108 Ca 0.12 0.33 0.10 0.00 -0.26 0.00 0.00 57.72 58.01 3kqz n HIS 108 Cb 0.27 -1.04 0.04 0.00 1.12 0.00 0.00 29.99 30.38 3kqz n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kqz n ASP 109 N -2.22 2.23 -4.65 0.41 8.00 -0.48 -4.92 116.55 114.93 3kqz n ASP 109 Ca 0.00 -1.62 -0.43 0.00 0.71 0.00 0.00 54.79 53.46 3kqz n ASP 109 Cb 0.13 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3kqz n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqz s ILE 110 N -2.00 3.97 -0.15 0.53 1.01 -0.98 -4.79 121.20 118.78 3kqz s ILE 110 Ca 0.20 1.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 3kqz s ILE 110 Cb 0.16 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 3kqz s ILE 110 CO 0.39 -0.23 1.05 -0.54 0.00 0.00 0.00 174.94 175.62 3kqz s LYS 111 N 4.05 4.34 -0.23 2.79 1.02 0.69 -4.87 119.74 127.53 3kqz s LYS 111 Ca 0.63 1.42 -0.08 0.00 0.02 0.00 0.00 55.97 57.97 3kqz s LYS 111 Cb -0.24 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3kqz s LYS 111 CO 0.23 -0.47 0.08 0.08 -0.92 0.00 0.00 175.35 174.34 3kqz s VAL 112 N 2.58 4.55 -0.01 3.17 1.01 -1.26 -0.15 120.40 130.29 3kqz s VAL 112 Ca 0.48 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.42 3kqz s VAL 112 Cb -0.18 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3kqz s VAL 112 CO 0.13 0.37 -0.20 -1.10 0.00 0.00 0.00 175.10 174.30 3kqz s GLN 113 N 1.23 2.20 -0.15 2.72 -1.52 -0.65 -4.99 119.66 118.50 3kqz s GLN 113 Ca 0.05 -0.88 0.02 0.00 -1.95 0.00 0.00 55.36 52.60 3kqz s GLN 113 Cb -0.14 -2.18 0.01 0.00 -0.22 0.00 0.00 33.01 30.47 3kqz s GLN 113 CO 0.04 0.57 -0.21 0.08 -0.25 0.00 0.00 175.29 175.52 3kqz s VAL 114 N -0.75 2.04 0.15 1.09 1.01 -1.26 -0.78 120.40 121.91 3kqz s VAL 114 Ca 0.12 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.24 3kqz s VAL 114 Cb -0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3kqz s VAL 114 CO 0.01 0.54 -0.24 -0.31 0.00 0.00 0.00 175.10 175.10 3kqz s TYR 115 N 0.91 2.34 0.11 5.22 1.51 0.12 -4.86 117.35 122.70 3kqz s TYR 115 Ca -0.05 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 3kqz s TYR 115 Cb -0.15 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 3kqz s TYR 115 CO -0.04 0.40 1.17 0.34 -1.11 0.00 0.00 175.55 176.31 3kqz s ASP 116 N -2.29 7.14 0.38 2.29 -1.08 -1.26 -1.37 116.67 120.47 3kqz s ASP 116 Ca 0.17 2.06 0.08 0.00 -0.52 0.00 0.00 52.55 54.34 3kqz s ASP 116 Cb -0.09 -2.59 0.74 0.00 -1.46 0.00 0.00 42.92 39.52 3kqz s ASP 116 CO 0.08 -0.38 1.91 -0.29 0.52 0.00 0.00 175.17 177.01 3kqz h ILE 117 N 4.17 1.18 0.00 4.11 2.10 -1.26 -2.97 117.51 124.84 3kqz h ILE 117 Ca -0.43 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 64.77 3kqz h ILE 117 Cb 1.21 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 3kqz h ILE 117 CO 0.77 0.24 0.03 0.11 -1.08 0.00 0.00 178.15 178.22 3kqz h LYS 118 N 0.32 0.00 -0.02 2.19 1.57 -1.91 -1.08 116.57 117.64 3kqz h LYS 118 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kqz h LYS 118 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kqz h LYS 118 CO 0.02 0.00 -0.04 0.41 -0.57 0.00 0.00 179.45 179.26 3kqz n GLY 119 N -1.22 0.29 0.00 3.86 0.00 -1.12 -5.05 105.19 101.95 3kqz n GLY 119 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.26 -1.82 3.55 -0.02 0.00 -0.41 -5.00 105.19 102.75 3kqz n GLY 120 Ca 0.16 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.06 6.15 -0.05 0.00 2.47 -1.26 -0.85 114.94 120.34 3kqz s ASN 122 Ca 0.14 -1.12 0.12 0.00 0.42 0.00 0.00 52.86 52.42 3kqz s ASN 122 Cb -0.11 -2.19 0.34 0.00 -1.45 0.00 0.00 41.25 37.84 3kqz s ASN 122 CO 0.04 -0.62 1.28 1.33 -3.72 0.00 0.00 177.10 175.41 3kqz n VAL 123 N 5.26 1.36 0.67 -5.21 0.24 -1.26 -4.71 118.33 114.68 3kqz n VAL 123 Ca -0.11 -1.26 0.10 0.00 -2.04 0.00 0.00 64.34 61.03 3kqz n VAL 123 Cb 0.45 0.28 0.43 0.00 -1.47 0.00 0.00 33.84 33.53 3kqz n VAL 123 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kqz n GLU 124 N 0.13 0.02 -3.77 7.34 0.28 -1.26 -4.67 120.64 118.71 3kqz n GLU 124 Ca 0.13 0.17 -0.22 0.00 -0.16 0.00 0.00 57.16 57.09 3kqz n GLU 124 Cb 0.54 -1.53 -0.18 0.00 1.43 0.00 0.00 31.44 31.71 3kqz n GLU 124 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3kqz s GLU 125 N -3.02 0.42 1.20 3.44 2.12 -1.26 -4.92 118.70 116.68 3kqz s GLU 125 Ca 0.09 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.59 3kqz s GLU 125 Cb 0.13 -0.82 0.00 0.00 0.26 0.00 0.00 34.13 33.70 3kqz s GLU 125 CO 0.37 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 3kqz n GLY 126 N 5.09 -1.28 3.64 -1.50 0.00 -1.26 -4.81 105.19 105.08 3kqz n GLY 126 Ca -0.08 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 4.10 -0.23 0.99 2.96 0.50 -1.67 118.68 125.33 3kqz s LEU 127 Ca 0.00 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 54.48 3kqz s LEU 127 Cb 0.00 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 3kqz s LEU 127 CO 0.00 -0.25 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.89 3kqz s THR 128 N 2.03 3.75 -0.14 3.68 2.01 0.26 -0.01 115.64 127.21 3kqz s THR 128 Ca 0.23 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.88 3kqz s THR 128 Cb -0.16 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.63 3kqz s THR 128 CO 0.09 0.40 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.61 3kqz s ILE 129 N 1.44 2.46 -0.23 1.82 -1.09 0.18 -0.56 121.20 125.21 3kqz s ILE 129 Ca 0.05 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.50 3kqz s ILE 129 Cb -0.15 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.68 3kqz s ILE 129 CO -0.00 0.53 0.22 -0.36 -1.23 0.00 0.00 174.94 174.10 3kqz s PHE 130 N 0.72 3.33 -0.24 3.97 0.40 -0.30 0.16 117.98 126.02 3kqz s PHE 130 Ca -0.08 0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.37 3kqz s PHE 130 Cb -0.16 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 3kqz s PHE 130 CO 0.01 0.05 0.63 -0.51 0.70 0.00 0.00 175.22 176.09 3kqz s LEU 131 N 1.12 4.08 0.04 -0.37 1.43 0.11 -1.80 118.68 123.30 3kqz s LEU 131 Ca 0.10 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 3kqz s LEU 131 Cb -0.14 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 3kqz s LEU 131 CO 0.05 -0.34 -0.07 0.68 0.23 0.00 0.00 176.35 176.90 3kqz s VAL 132 N 2.34 0.47 0.34 -1.59 -7.23 -1.09 -1.13 120.40 112.51 3kqz s VAL 132 Ca 0.27 -1.09 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 3kqz s VAL 132 Cb -0.16 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 3kqz s VAL 132 CO 0.09 -0.43 0.22 0.54 -0.31 0.00 0.00 175.10 175.21 3kqz s ASN 133 N -1.63 1.85 -0.37 4.85 2.20 -1.26 0.17 114.94 120.75 3kqz s ASN 133 Ca -0.10 -1.70 0.02 0.00 -0.94 0.00 0.00 52.86 50.14 3kqz s ASN 133 Cb -0.09 0.53 0.15 0.00 -2.00 0.00 0.00 41.25 39.83 3kqz s ASN 133 CO -0.00 -1.00 0.31 0.21 -2.94 0.00 0.00 177.10 173.67 3kqz s ASN 134 N -3.42 1.91 0.27 3.54 3.84 -0.33 -4.76 114.94 115.98 3kqz s ASN 134 Ca 0.36 -2.07 -0.30 0.00 0.21 0.00 0.00 52.86 51.05 3kqz s ASN 134 Cb 0.03 0.04 -0.11 0.00 -0.55 0.00 0.00 41.25 40.66 3kqz s ASN 134 CO 0.22 -0.26 1.60 -2.84 -2.79 0.00 0.00 177.10 173.03 3kqz s PRO 135 N 1.05 4.14 0.00 0.43 0.02 -1.26 -2.83 135.00 136.55 3kqz s PRO 135 Ca 0.20 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3kqz s PRO 135 Cb -0.16 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3kqz s PRO 135 CO -0.03 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3kqz n GLY 136 N 2.52 1.95 3.56 0.52 0.00 -1.11 -4.95 105.19 107.68 3kqz n GLY 136 Ca 0.09 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3kqz n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqz s LYS 137 N 0.00 2.90 0.24 1.61 -2.85 -1.13 -4.98 119.74 115.53 3kqz s LYS 137 Ca 0.00 0.64 -0.31 0.00 -1.00 0.00 0.00 55.97 55.31 3kqz s LYS 137 Cb 0.00 -4.29 -0.11 0.00 -2.06 0.00 0.00 37.83 31.37 3kqz s LYS 137 CO 0.00 -2.41 1.58 -1.21 0.10 0.00 0.00 175.35 173.42 3kqz s GLU 138 N 6.44 4.17 -1.01 1.78 8.01 -1.26 -2.00 118.70 134.83 3kqz s GLU 138 Ca 0.64 2.49 -0.05 0.00 0.01 0.00 0.00 54.97 58.05 3kqz s GLU 138 Cb -0.13 -3.08 0.04 0.00 -4.31 0.00 0.00 34.13 26.66 3kqz s GLU 138 CO 0.23 -0.61 0.25 0.09 0.01 0.00 0.00 175.26 175.24 3kqz n ASN 139 N 2.90 -3.18 -4.63 -0.19 5.03 -1.26 -4.93 115.26 108.99 3kqz n ASN 139 Ca 0.10 -0.09 -0.29 0.00 0.87 0.00 0.00 54.58 55.18 3kqz n ASN 139 Cb 0.38 -2.70 0.19 0.00 -1.02 0.00 0.00 39.78 36.63 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kqz s GLY 140 N -2.40 1.57 0.65 7.41 0.00 -0.85 -4.48 107.32 109.23 3kqz s GLY 140 Ca 0.22 -0.22 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 3kqz s GLY 140 CO 0.28 0.39 1.28 2.56 0.00 0.00 0.00 173.10 177.61 3kqz s PRO 141 N -4.82 2.53 0.09 2.90 0.04 -1.26 -1.28 135.00 133.21 3kqz s PRO 141 Ca 0.66 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 3kqz s PRO 141 Cb -0.20 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3kqz s PRO 141 CO 0.59 -1.60 1.07 0.08 0.04 0.00 0.00 177.00 177.18 3kqz s VAL 142 N -1.46 4.30 -0.04 -0.36 1.01 -0.38 -4.68 120.40 118.80 3kqz s VAL 142 Ca 0.82 1.78 -0.01 0.00 0.00 0.00 0.00 61.98 64.56 3kqz s VAL 142 Cb -0.36 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 31.91 3kqz s VAL 142 CO 0.40 0.21 0.03 -0.75 0.00 0.00 0.00 175.10 174.99 3kqz s LYS 143 N 0.45 0.14 -0.22 2.72 2.20 -1.26 -3.55 119.74 120.22 3kqz s LYS 143 Ca 0.52 0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 56.28 3kqz s LYS 143 Cb -0.26 -0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 35.45 3kqz s LYS 143 CO 0.31 -0.27 0.11 0.42 -0.36 0.00 0.00 175.35 175.56 3kqz s ILE 144 N 1.76 4.99 -0.16 5.43 -1.09 -1.26 -4.90 121.20 125.97 3kqz s ILE 144 Ca 0.00 0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.46 3kqz s ILE 144 Cb -0.12 -3.30 -0.23 0.00 -1.58 0.00 0.00 42.46 37.23 3kqz s ILE 144 CO -0.03 0.40 0.21 -1.20 -1.23 0.00 0.00 174.94 173.08 3kqz n SER 145 N 4.03 1.83 -4.59 3.58 7.64 -1.26 -4.93 113.62 119.91 3kqz n SER 145 Ca -0.16 0.12 -0.45 0.00 1.01 0.00 0.00 58.87 59.39 3kqz n SER 145 Cb 0.52 -0.54 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 3kqz n SER 145 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kqz n SER 146 N -3.33 1.41 -4.73 6.43 7.64 -1.26 -4.96 113.62 114.82 3kqz n SER 146 Ca -0.34 1.17 -0.41 0.00 1.01 0.00 0.00 58.87 60.30 3kqz n SER 146 Cb 1.04 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 3kqz n SER 146 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3kqz s LYS 147 N -1.32 4.64 0.14 1.43 2.20 -1.26 -4.94 119.74 120.62 3kqz s LYS 147 Ca 0.61 1.36 0.10 0.00 -0.36 0.00 0.00 55.97 57.69 3kqz s LYS 147 Cb -0.72 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 3kqz s LYS 147 CO 0.58 0.21 -0.23 0.14 -0.36 0.00 0.00 175.35 175.69 3kqz s VAL 148 N 0.07 2.47 -0.85 4.02 -7.23 -1.26 0.11 120.40 117.73 3kqz s VAL 148 Ca 0.45 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3kqz s VAL 148 Cb -0.22 -2.12 0.10 0.00 0.56 0.00 0.00 36.38 34.69 3kqz s VAL 148 CO 0.28 0.06 0.68 -0.46 -0.31 0.00 0.00 175.10 175.35 3kqz n ASN 149 N 0.77 1.67 -3.75 4.85 2.04 -0.03 -4.77 115.26 116.05 3kqz n ASN 149 Ca -0.16 -2.12 -0.14 0.00 -0.44 0.00 0.00 54.58 51.72 3kqz n ASN 149 Cb 0.53 -0.52 -0.15 0.00 -2.53 0.00 0.00 39.78 37.11 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3kqz s ASP 150 N -0.03 -0.07 0.25 0.53 2.15 -1.26 -4.88 116.67 113.35 3kqz s ASP 150 Ca 0.06 0.27 0.08 0.00 0.43 0.00 0.00 52.55 53.40 3kqz s ASP 150 Cb 0.05 0.16 0.27 0.00 -0.30 0.00 0.00 42.92 43.09 3kqz s ASP 150 CO 0.02 -0.15 1.56 0.07 -0.17 0.00 0.00 175.17 176.50 3kqz h LYS 151 N 7.27 0.06 -0.13 4.34 2.10 -1.97 0.14 116.57 128.38 3kqz h LYS 151 Ca -0.43 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 3kqz h LYS 151 Cb 1.14 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3kqz h LYS 151 CO 0.43 0.70 -0.06 1.96 -2.00 0.00 0.00 179.45 180.48 3kqz h GLN 152 N 0.04 0.27 -0.16 0.07 1.08 -1.90 -1.90 115.11 112.60 3kqz h GLN 152 Ca -0.01 -0.11 -0.16 0.00 -1.45 0.00 0.00 58.65 56.92 3kqz h GLN 152 Cb 1.17 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 3kqz h GLN 152 CO 0.09 0.60 -0.56 0.28 -0.95 0.00 0.00 178.83 178.29 3kqz h VAL 153 N -0.08 1.33 -0.81 -0.54 2.07 -1.85 -2.23 116.25 114.15 3kqz h VAL 153 Ca 0.03 -1.83 0.09 0.00 0.82 0.00 0.00 66.70 65.81 3kqz h VAL 153 Cb 0.52 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 3kqz h VAL 153 CO 0.02 0.56 0.46 0.28 0.02 0.00 0.00 177.57 178.91 3kqz h SER 154 N 0.38 0.66 -0.14 0.57 0.02 -0.71 0.14 113.55 114.47 3kqz h SER 154 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kqz h SER 154 Cb 1.10 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3kqz h SER 154 CO 0.10 0.39 0.08 -0.08 -1.14 0.00 0.00 176.83 176.18 3kqz h GLU 155 N 0.78 0.19 -0.95 3.45 4.57 -0.97 -2.78 114.58 118.88 3kqz h GLU 155 Ca 0.38 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.61 3kqz h GLU 155 Cb 0.33 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 3kqz h GLU 155 CO -0.24 0.18 0.62 0.35 -1.18 0.00 0.00 179.01 178.74 3kqz h PHE 156 N 0.15 1.12 -0.07 0.92 3.57 -0.70 -2.12 116.94 119.81 3kqz h PHE 156 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3kqz h PHE 156 Cb 0.04 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.41 3kqz h PHE 156 CO -0.05 0.59 0.00 1.28 -2.23 0.00 0.00 178.31 177.90 3kqz n LEU 157 N -4.49 0.70 -4.74 0.59 4.77 0.38 -4.43 117.00 109.79 3kqz n LEU 157 Ca 0.14 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.46 3kqz n LEU 157 Cb 0.18 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3kqz n LEU 157 CO 0.33 0.15 0.86 -1.59 -1.33 0.00 0.00 177.39 175.81 3kqz s LYS 158 N -1.91 2.72 0.30 3.23 -2.85 -0.80 -4.57 119.74 115.86 3kqz s LYS 158 Ca 0.28 1.91 0.04 0.00 -1.00 0.00 0.00 55.97 57.21 3kqz s LYS 158 Cb 0.14 -1.89 0.67 0.00 -2.06 0.00 0.00 37.83 34.69 3kqz s LYS 158 CO 0.22 -1.43 1.80 -0.44 0.10 0.00 0.00 175.35 175.61 3kqz h ASP 159 N 0.63 0.85 0.00 0.03 3.32 -1.91 -1.39 116.42 117.95 3kqz h ASP 159 Ca -0.50 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 3kqz h ASP 159 Cb 1.31 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3kqz h ASP 159 CO 0.54 0.36 -0.07 -0.33 -1.72 0.00 0.00 179.24 178.02 3kqz h GLU 160 N 0.86 0.17 0.06 3.56 3.07 -1.95 0.19 114.58 120.54 3kqz h GLU 160 Ca 0.55 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 59.23 3kqz h GLU 160 Cb 0.74 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 3kqz h GLU 160 CO -0.34 0.25 -0.74 -0.97 -1.40 0.00 0.00 179.01 175.82 3kqz h ASN 161 N 0.17 0.21 0.54 1.42 -1.24 -1.56 -3.38 115.58 111.74 3kqz h ASN 161 Ca 0.04 -0.87 -0.05 0.00 0.71 0.00 0.00 56.30 56.13 3kqz h ASN 161 Cb 0.23 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 3kqz h ASN 161 CO 0.01 1.32 -0.23 0.24 -1.29 0.00 0.00 177.43 177.48 3kqz h MET 162 N -0.68 0.00 0.00 6.67 2.86 -1.01 -1.75 114.93 121.02 3kqz h MET 162 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3kqz h MET 162 Cb 1.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.05 3kqz h MET 162 CO 0.02 0.23 0.00 -0.85 1.06 0.00 0.00 176.91 177.37 3kqz n GLU 163 N -3.68 0.02 0.31 1.72 0.28 0.02 -1.16 120.64 118.15 3kqz n GLU 163 Ca -0.01 0.25 0.20 0.00 -0.16 0.00 0.00 57.16 57.44 3kqz n GLU 163 Cb 0.35 -1.53 1.00 0.00 1.43 0.00 0.00 31.44 32.69 3kqz n GLU 163 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3kqz h LYS 164 N 0.00 0.00 -6.20 3.44 1.57 -1.51 -3.43 116.57 110.44 3kqz h LYS 164 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3kqz h LYS 164 Cb 0.27 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 3kqz h LYS 164 CO 0.00 0.00 -0.61 -0.06 -0.57 0.00 0.00 179.45 178.21 3kqz s PHE 165 N -3.94 2.83 0.27 -1.35 2.99 -0.31 -5.05 117.98 113.43 3kqz s PHE 165 Ca -0.02 -0.18 0.05 0.00 0.00 0.00 0.00 56.93 56.77 3kqz s PHE 165 Cb 0.11 -1.26 -0.06 0.00 0.00 0.00 0.00 43.02 41.81 3kqz s PHE 165 CO 0.46 0.59 -0.03 0.54 -0.00 0.00 0.00 175.22 176.78 3kqz s ASN 166 N -3.72 2.42 -0.02 1.36 2.20 -1.26 -1.24 114.94 114.68 3kqz s ASN 166 Ca 0.32 -1.22 0.18 0.00 -0.94 0.00 0.00 52.86 51.19 3kqz s ASN 166 Cb -0.07 -0.10 0.54 0.00 -2.00 0.00 0.00 41.25 39.62 3kqz s ASN 166 CO 0.22 -0.43 1.45 1.33 -2.94 0.00 0.00 177.10 176.72 3kqz n VAL 167 N -0.55 0.92 -1.60 3.54 0.24 -0.40 -4.62 118.33 115.86 3kqz n VAL 167 Ca -0.05 -0.83 -0.54 0.00 -2.04 0.00 0.00 64.34 60.89 3kqz n VAL 167 Cb 0.64 0.34 -0.06 0.00 -1.47 0.00 0.00 33.84 33.28 3kqz n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqz n LYS 168 N 1.18 1.05 -1.64 7.34 4.81 -1.26 0.51 118.16 130.15 3kqz n LYS 168 Ca 0.20 0.38 -0.59 0.00 -0.87 0.00 0.00 58.31 57.43 3kqz n LYS 168 Cb 0.55 -2.01 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqz n LEU 169 N 2.88 1.91 0.00 3.14 7.94 -1.26 -0.63 117.00 130.99 3kqz n LEU 169 Ca 0.20 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3kqz n LEU 169 Cb 0.17 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.05 3kqz n LEU 169 CO 0.65 -0.59 0.00 0.61 -1.11 0.00 0.00 177.39 176.95 3kqz n GLY 170 N 4.80 1.70 3.71 -3.96 0.00 0.34 -4.96 105.19 106.83 3kqz n GLY 170 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.33 3.08 0.07 2.61 2.01 0.20 -4.74 115.64 116.55 3kqz s THR 171 Ca 0.00 0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.80 3kqz s THR 171 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 3kqz s THR 171 CO 0.00 0.06 -0.10 -0.94 -0.69 0.00 0.00 174.62 172.95 3kqz s SER 172 N 1.18 1.27 0.03 3.53 1.04 -1.26 0.76 113.70 120.24 3kqz s SER 172 Ca 0.67 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 56.39 3kqz s SER 172 Cb -0.39 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.72 3kqz s SER 172 CO 0.30 -0.23 -0.04 -0.54 0.98 0.00 0.00 173.24 173.71 3kqz s LYS 173 N -2.29 0.36 -0.12 4.02 -0.14 -1.08 -5.01 119.74 115.48 3kqz s LYS 173 Ca -0.00 -0.63 -0.19 0.00 -1.36 0.00 0.00 55.97 53.79 3kqz s LYS 173 Cb -0.06 -0.01 0.05 0.00 -1.68 0.00 0.00 37.83 36.12 3kqz s LYS 173 CO 0.00 -0.02 0.48 -3.38 -0.76 0.00 0.00 175.35 171.67 3kqz s HIS 174 N -1.37 -0.47 -0.01 3.18 -3.43 -1.26 -1.40 115.29 110.53 3kqz s HIS 174 Ca -0.14 1.03 0.05 0.00 -0.80 0.00 0.00 55.06 55.20 3kqz s HIS 174 Cb -0.10 0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 31.24 3kqz s HIS 174 CO -0.01 -0.35 -0.15 -0.06 -2.00 0.00 0.00 174.74 172.18 3kqz s PHE 175 N -0.35 1.36 0.15 0.38 0.40 0.60 -4.93 117.98 115.59 3kqz s PHE 175 Ca -0.05 -0.26 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 3kqz s PHE 175 Cb -0.03 -0.88 -0.08 0.00 0.51 0.00 0.00 43.02 42.54 3kqz s PHE 175 CO 0.03 -0.03 0.75 0.71 0.70 0.00 0.00 175.22 177.38 3kqz s TYR 176 N -0.34 3.89 0.32 0.36 1.51 -1.26 -0.17 117.35 121.65 3kqz s TYR 176 Ca 0.06 1.57 -0.09 0.00 -1.01 0.00 0.00 57.07 57.60 3kqz s TYR 176 Cb -0.06 -2.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.07 3kqz s TYR 176 CO -0.01 0.51 0.55 0.00 -1.11 0.00 0.00 175.55 175.49 3kqz s MET 177 N -1.08 1.85 -0.16 -0.62 0.23 0.53 -4.98 119.30 115.08 3kqz s MET 177 Ca 0.35 -1.50 -0.08 0.00 -1.03 0.00 0.00 55.69 53.43 3kqz s MET 177 Cb -0.22 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 3kqz s MET 177 CO 0.25 -0.80 0.10 -0.06 -2.03 0.00 0.00 175.02 172.49 3kqz s PHE 178 N -3.25 3.41 0.00 3.16 0.08 -1.25 -0.30 117.98 119.83 3kqz s PHE 178 Ca 0.24 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.61 3kqz s PHE 178 Cb -0.02 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 3kqz s PHE 178 CO 0.14 0.41 0.00 0.27 -0.10 0.00 0.00 175.22 175.95 3kqz n ASN 179 N 2.91 -0.19 0.31 1.36 0.23 -0.26 -4.78 115.26 114.84 3kqz n ASN 179 Ca -0.18 -0.74 0.20 0.00 -0.53 0.00 0.00 54.58 53.34 3kqz n ASN 179 Cb 0.53 0.00 1.01 0.00 -2.08 0.00 0.00 39.78 39.24 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 -0.19 0.00 -0.45 0.53 3.32 -1.95 -1.68 116.42 116.00 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 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3kqz n ASN 181 N -3.01 4.47 0.00 6.45 3.02 -1.26 -4.89 115.26 120.03 3kqz n ASN 181 Ca -0.02 -2.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 3kqz n ASN 181 Cb 0.14 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3kqz n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kqz n LYS 182 N 0.32 0.00 -1.38 3.52 4.01 -0.63 -4.99 118.16 119.01 3kqz n LYS 182 Ca 0.23 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.67 3kqz n LYS 182 Cb 0.91 -2.58 0.08 0.00 -0.51 0.00 0.00 35.03 32.94 3kqz n LYS 182 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3kqz n ASN 183 N 0.00 0.49 -4.38 4.39 5.03 -1.26 -4.57 115.26 114.96 3kqz n ASN 183 Ca 0.00 0.68 -0.45 0.00 0.87 0.00 0.00 54.58 55.68 3kqz n ASN 183 Cb 0.00 -1.40 -0.04 0.00 -1.02 0.00 0.00 39.78 37.31 3kqz n ASN 183 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3kqz s SER 184 N -1.60 6.22 0.36 6.41 0.15 -1.26 -1.10 113.70 122.88 3kqz s SER 184 Ca 0.74 -1.47 0.08 0.00 0.70 0.00 0.00 55.95 56.00 3kqz s SER 184 Cb -0.35 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 3kqz s SER 184 CO 0.50 -1.12 0.19 0.68 1.20 0.00 0.00 173.24 174.69 3kqz s VAL 185 N 2.72 2.92 -0.01 4.45 -7.23 0.59 -4.53 120.40 119.31 3kqz s VAL 185 Ca 0.13 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 3kqz s VAL 185 Cb -0.22 -3.01 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 3kqz s VAL 185 CO 0.05 -0.13 -0.13 0.00 -0.31 0.00 0.00 175.10 174.58 3kqz s ALA 186 N -2.45 1.10 -0.00 1.32 0.00 -0.67 -0.35 121.76 120.72 3kqz s ALA 186 Ca 0.40 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.81 3kqz s ALA 186 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3kqz s ALA 186 CO 0.24 0.27 -0.10 0.08 0.00 0.00 0.00 175.76 176.24 3kqz s VAL 187 N -0.33 0.79 0.00 0.00 1.01 0.75 -0.57 120.40 122.05 3kqz s VAL 187 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3kqz s VAL 187 Cb -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.65 3kqz s VAL 187 CO -0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3kqz n GLY 188 N 2.71 2.08 3.40 4.51 0.00 0.27 -0.29 105.19 117.88 3kqz n GLY 188 Ca -0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.71 0.22 -0.07 1.61 1.13 -0.49 -1.15 117.35 113.90 3kqz s TYR 189 Ca 0.00 -0.58 0.02 0.00 -1.41 0.00 0.00 57.07 55.09 3kqz s TYR 189 Cb 0.00 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.97 3kqz s TYR 189 CO 0.00 -0.78 -0.10 0.08 -2.51 0.00 0.00 175.55 172.24 3kqz s VAL 190 N -3.94 0.99 0.22 -3.49 1.01 -0.74 -2.63 120.40 111.82 3kqz s VAL 190 Ca 0.14 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3kqz s VAL 190 Cb 0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 3kqz s VAL 190 CO -0.01 0.33 1.37 -0.83 0.00 0.00 0.00 175.10 175.95 3kqz s GLY 191 N 0.84 2.38 -0.08 4.51 0.00 0.23 -2.68 107.32 112.52 3kqz s GLY 191 Ca -0.12 1.20 0.13 0.00 0.00 0.00 0.00 44.72 45.93 3kqz s GLY 191 CO 0.02 2.17 1.28 0.00 0.00 0.00 0.00 173.10 176.56 3kqz n GLY 193 N -0.20 -0.32 0.00 0.00 0.00 0.18 -4.49 105.19 100.36 3kqz n GLY 193 Ca 0.14 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3kqz n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqz n SER 194 N 1.34 1.15 -4.43 1.61 3.41 -1.26 -1.19 113.62 114.24 3kqz n SER 194 Ca 0.00 -1.46 -0.34 0.00 -0.26 0.00 0.00 58.87 56.81 3kqz n SER 194 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3kqz n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqz s VAL 195 N -0.46 3.78 0.06 -3.33 1.01 -1.26 -2.75 120.40 117.44 3kqz s VAL 195 Ca 0.00 -0.38 0.32 0.00 0.00 0.00 0.00 61.98 61.92 3kqz s VAL 195 Cb 0.00 -2.68 0.33 0.00 0.00 0.00 0.00 36.38 34.03 3kqz s VAL 195 CO 0.00 0.45 1.96 0.00 0.00 0.00 0.00 175.10 177.51 3kqz h ALA 196 N 7.30 1.00 -3.01 5.51 0.00 -1.94 -3.37 119.26 124.75 3kqz h ALA 196 Ca -0.34 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.86 3kqz h ALA 196 Cb 1.18 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.64 3kqz h ALA 196 CO 0.61 0.00 -0.48 -0.51 0.00 0.00 0.00 179.25 178.87 3kqz s ASP 197 N -4.81 5.39 0.25 0.00 1.11 -1.26 -4.58 116.67 112.77 3kqz s ASP 197 Ca -0.01 -2.09 -0.30 0.00 0.18 0.00 0.00 52.55 50.33 3kqz s ASP 197 Cb 0.09 -1.88 -0.10 0.00 1.07 0.00 0.00 42.92 42.10 3kqz s ASP 197 CO 0.39 -0.57 1.50 -0.76 1.18 0.00 0.00 175.17 176.92 3kqz s LEU 198 N 1.07 4.37 0.74 1.23 2.01 -1.26 -5.02 118.68 121.82 3kqz s LEU 198 Ca 0.09 2.74 -0.10 0.00 0.01 0.00 0.00 54.13 56.86 3kqz s LEU 198 Cb -0.23 -3.62 0.05 0.00 0.01 0.00 0.00 46.19 42.40 3kqz s LEU 198 CO -0.03 -0.78 1.10 -0.94 1.01 0.00 0.00 176.35 176.70 3kqz s SER 199 N 0.52 4.95 0.17 2.29 1.04 -1.26 -4.90 113.70 116.51 3kqz s SER 199 Ca 0.62 0.82 -0.22 0.00 0.48 0.00 0.00 55.95 57.65 3kqz s SER 199 Cb -0.44 -1.48 0.07 0.00 0.10 0.00 0.00 66.02 64.27 3kqz s SER 199 CO 0.43 -1.60 1.60 -0.08 0.98 0.00 0.00 173.24 174.57 3kqz h GLU 200 N -0.76 -0.23 -0.69 4.02 4.22 -1.95 0.67 114.58 119.87 3kqz h GLU 200 Ca -0.45 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.00 3kqz h GLU 200 Cb 1.30 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3kqz h GLU 200 CO 0.64 -0.15 0.43 0.00 -2.18 0.00 0.00 179.01 177.75 3kqz h ALA 201 N 0.82 0.87 -0.62 2.92 0.00 -1.94 0.08 119.26 121.39 3kqz h ALA 201 Ca 0.18 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kqz h ALA 201 Cb 0.53 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3kqz h ALA 201 CO -0.54 0.33 0.39 -0.44 0.00 0.00 0.00 179.25 178.99 3kqz h ASP 202 N 0.93 0.65 -0.67 0.00 3.32 -1.86 -2.46 116.42 116.33 3kqz h ASP 202 Ca 0.25 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3kqz h ASP 202 Cb -0.06 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3kqz h ASP 202 CO -0.05 0.46 0.22 -0.03 -1.72 0.00 0.00 179.24 178.11 3kqz h MET 203 N 0.77 1.06 -0.61 3.56 4.05 0.15 -0.96 114.93 122.96 3kqz h MET 203 Ca 0.24 -0.22 0.12 0.00 -0.28 0.00 0.00 59.70 59.56 3kqz h MET 203 Cb -0.01 -0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 30.54 3kqz h MET 203 CO -0.09 0.90 0.11 0.87 0.23 0.00 0.00 176.91 178.94 3kqz h LYS 204 N 1.02 0.23 -0.53 0.39 6.56 -0.74 0.22 116.57 123.73 3kqz h LYS 204 Ca 0.23 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.71 3kqz h LYS 204 Cb 0.28 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 3kqz h LYS 204 CO -0.01 0.15 -0.04 0.00 -2.06 0.00 0.00 179.45 177.50 3kqz h ARG 205 N 0.24 0.96 -0.63 3.15 2.47 -0.75 0.15 114.38 119.97 3kqz h ARG 205 Ca 0.32 -0.33 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kqz h ARG 205 Cb 0.49 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 3kqz h ARG 205 CO -0.43 0.99 0.39 0.28 0.56 0.00 0.00 179.97 181.76 3kqz h VAL 206 N 0.83 1.18 -0.33 2.04 2.07 -0.74 -1.46 116.25 119.84 3kqz h VAL 206 Ca 0.14 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3kqz h VAL 206 Cb 0.58 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3kqz h VAL 206 CO 0.03 0.18 -0.01 0.58 0.02 0.00 0.00 177.57 178.37 3kqz h VAL 207 N 0.85 1.26 -0.87 2.57 2.07 0.08 -0.70 116.25 121.51 3kqz h VAL 207 Ca 0.23 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.81 3kqz h VAL 207 Cb -0.05 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3kqz h VAL 207 CO -0.04 0.33 0.57 -0.07 0.02 0.00 0.00 177.57 178.37 3kqz h LEU 208 N 0.40 0.88 -0.25 2.57 4.07 -0.62 0.36 115.31 122.72 3kqz h LEU 208 Ca 0.09 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.85 3kqz h LEU 208 Cb 0.47 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3kqz h LEU 208 CO 0.02 0.58 -0.66 -1.28 -1.08 0.00 0.00 178.44 176.02 3kqz h SER 209 N 1.01 0.93 -0.27 -0.43 0.87 -0.92 -1.37 113.55 113.37 3kqz h SER 209 Ca 0.36 -0.55 0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3kqz h SER 209 Cb 0.15 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3kqz h SER 209 CO -0.13 1.35 0.09 0.25 -0.53 0.00 0.00 176.83 177.86 3kqz h LEU 210 N 0.59 0.10 -1.50 2.23 5.85 -0.06 -2.87 115.31 119.65 3kqz h LEU 210 Ca -0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kqz h LEU 210 Cb 1.27 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3kqz h LEU 210 CO 0.14 0.09 0.05 0.58 -0.34 0.00 0.00 178.44 178.96 3kqz h VAL 211 N 0.21 1.14 -0.77 1.05 2.07 -0.14 -2.03 116.25 117.78 3kqz h VAL 211 Ca 0.12 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3kqz h VAL 211 Cb 0.08 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3kqz h VAL 211 CO -0.12 0.17 0.41 0.74 0.02 0.00 0.00 177.57 178.79 3kqz h THR 212 N 0.37 1.24 -0.86 2.57 2.02 -1.03 0.86 112.91 118.08 3kqz h THR 212 Ca 0.09 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 3kqz h THR 212 Cb 0.17 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 3kqz h THR 212 CO -0.00 0.27 0.42 0.24 0.37 0.00 0.00 175.52 176.82 3kqz h MET 213 N 1.07 1.22 -0.08 6.66 2.07 -1.28 -3.20 114.93 121.41 3kqz h MET 213 Ca 0.27 -0.17 -0.15 0.00 -2.07 0.00 0.00 59.70 57.58 3kqz h MET 213 Cb 0.05 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 29.55 3kqz h MET 213 CO -0.04 0.93 -0.60 -0.07 1.07 0.00 0.00 176.91 178.19 3kqz h LEU 214 N 1.22 0.30 0.00 1.22 3.38 -0.82 -2.12 115.31 118.48 3kqz h LEU 214 Ca 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kqz h LEU 214 Cb 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kqz h LEU 214 CO -0.04 0.83 0.00 1.41 0.09 0.00 0.00 178.44 180.73 3kqz n HIS 215 N -3.88 0.00 -0.62 1.13 8.25 0.21 -2.00 115.22 118.31 3kqz n HIS 215 Ca -0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.47 3kqz n HIS 215 Cb 0.62 -0.10 0.05 0.00 1.12 0.00 0.00 29.99 31.68 3kqz n HIS 215 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kqz n ASP 216 N -1.10 1.84 -4.52 0.41 -0.08 -0.82 -4.30 116.55 107.97 3kqz n ASP 216 Ca 0.12 -2.33 -0.33 0.00 -1.51 0.00 0.00 54.79 50.74 3kqz n ASP 216 Cb 0.09 -0.17 -0.12 0.00 2.34 0.00 0.00 41.12 43.26 3kqz n ASP 216 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3kqz s ASN 217 N -1.62 4.35 0.00 1.67 2.47 -0.85 -4.81 114.94 116.14 3kqz s ASN 217 Ca 0.12 -0.12 0.05 0.00 0.42 0.00 0.00 52.86 53.33 3kqz s ASN 217 Cb 0.11 -1.08 0.13 0.00 -1.45 0.00 0.00 41.25 38.95 3kqz s ASN 217 CO 0.01 0.34 1.03 0.29 -3.72 0.00 0.00 177.10 175.04 3kqz n LYS 218 N 2.39 2.26 -2.65 0.43 4.76 -1.26 -2.50 118.16 121.58 3kqz n LYS 218 Ca -0.18 -1.57 -0.39 0.00 -2.87 0.00 0.00 58.31 53.30 3kqz n LYS 218 Cb 0.53 -1.12 -0.05 0.00 -1.84 0.00 0.00 35.03 32.54 3kqz n LYS 218 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kqz s LEU 219 N -0.88 4.55 0.54 -0.35 1.43 -1.26 -4.77 118.68 117.93 3kqz s LEU 219 Ca 0.10 2.04 0.31 0.00 -1.03 0.00 0.00 54.13 55.56 3kqz s LEU 219 Cb 0.06 -3.71 1.52 0.00 0.03 0.00 0.00 46.19 44.09 3kqz s LEU 219 CO 0.07 -0.01 2.07 -1.28 0.23 0.00 0.00 176.35 177.43 3kqz h SER 220 N 3.81 0.00 -3.92 2.29 0.87 -1.94 -3.41 113.55 111.25 3kqz h SER 220 Ca -0.46 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 59.69 3kqz h SER 220 Cb 1.20 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.86 3kqz h SER 220 CO 0.67 0.09 -0.78 -0.75 -0.53 0.00 0.00 176.83 175.52 3kqz s LYS 221 N -3.99 0.85 -0.18 2.24 2.20 -1.26 -0.31 119.74 119.29 3kqz s LYS 221 Ca -0.02 -0.31 -0.00 0.00 -0.36 0.00 0.00 55.97 55.28 3kqz s LYS 221 Cb 0.12 -0.81 0.00 0.00 -1.51 0.00 0.00 37.83 35.63 3kqz s LYS 221 CO 0.55 0.15 -0.15 -1.17 -0.36 0.00 0.00 175.35 174.38 3kqz s LEU 222 N 0.01 2.45 -0.17 5.43 2.96 -0.28 -0.37 118.68 128.71 3kqz s LEU 222 Ca -0.00 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3kqz s LEU 222 Cb -0.06 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3kqz s LEU 222 CO 0.00 0.04 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.16 3kqz s THR 223 N 1.11 4.01 -0.19 3.68 2.01 0.98 0.31 115.64 127.56 3kqz s THR 223 Ca 0.00 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3kqz s THR 223 Cb -0.14 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3kqz s THR 223 CO -0.05 0.47 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.53 3kqz s VAL 224 N 0.59 2.78 -0.30 3.82 1.01 0.57 0.49 120.40 129.36 3kqz s VAL 224 Ca -0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 3kqz s VAL 224 Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3kqz s VAL 224 CO 0.02 0.49 0.16 -0.69 0.00 0.00 0.00 175.10 175.08 3kqz s VAL 225 N 1.19 4.77 -0.89 2.92 1.01 0.12 -0.32 120.40 129.21 3kqz s VAL 225 Ca 0.02 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 3kqz s VAL 225 Cb -0.14 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 32.94 3kqz s VAL 225 CO -0.05 0.11 1.20 -0.36 0.00 0.00 0.00 175.10 176.00 3kqz s PHE 226 N 1.65 2.80 -0.40 5.22 0.40 -0.24 0.06 117.98 127.47 3kqz s PHE 226 Ca 0.05 -0.96 0.01 0.00 -0.60 0.00 0.00 56.93 55.43 3kqz s PHE 226 Cb -0.17 -4.43 0.44 0.00 0.51 0.00 0.00 43.02 39.37 3kqz s PHE 226 CO 0.07 -1.69 1.81 0.39 0.70 0.00 0.00 175.22 176.50 3kqz n GLU 227 N 7.66 2.05 -4.26 0.44 1.02 -0.28 -4.72 120.64 122.55 3kqz n GLU 227 Ca 0.19 -2.32 -0.17 0.00 -0.02 0.00 0.00 57.16 54.84 3kqz n GLU 227 Cb 0.49 -1.91 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.88 0.02 -0.16 -3.67 -4.36 -1.25 -4.51 121.20 104.41 3kqz s ILE 228 Ca 0.45 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.83 3kqz s ILE 228 Cb 0.37 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 3kqz s ILE 228 CO 0.05 0.00 -0.13 0.21 0.24 0.00 0.00 174.94 175.31 3kqz s ASN 229 N -3.31 3.85 0.07 4.36 2.47 -1.26 -4.93 114.94 116.19 3kqz s ASN 229 Ca 0.40 -0.42 0.04 0.00 0.42 0.00 0.00 52.86 53.30 3kqz s ASN 229 Cb 0.04 -1.60 -0.03 0.00 -1.45 0.00 0.00 41.25 38.21 3kqz s ASN 229 CO 0.22 0.10 -0.11 0.68 -3.72 0.00 0.00 177.10 174.26 3kqz s VAL 230 N 0.76 0.93 0.62 -5.21 -7.23 -1.26 -4.71 120.40 104.30 3kqz s VAL 230 Ca -0.05 -1.36 -0.07 0.00 -1.81 0.00 0.00 61.98 58.69 3kqz s VAL 230 Cb -0.15 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.75 3kqz s VAL 230 CO 0.01 -0.37 0.94 1.51 -0.31 0.00 0.00 175.10 176.89 3kqz s ASP 231 N -1.92 5.48 0.23 4.85 3.84 -1.26 -4.86 116.67 123.03 3kqz s ASP 231 Ca -0.02 0.74 -0.15 0.00 -0.00 0.00 0.00 52.55 53.13 3kqz s ASP 231 Cb -0.08 -1.67 0.29 0.00 -1.38 0.00 0.00 42.92 40.08 3kqz s ASP 231 CO 0.01 -1.16 1.50 0.29 -0.00 0.00 0.00 175.17 175.81 3kqz n LYS 232 N -2.68 -0.19 -0.21 2.11 5.02 -1.26 -1.59 118.16 119.36 3kqz n LYS 232 Ca 0.05 1.49 -0.07 0.00 -2.02 0.00 0.00 58.31 57.77 3kqz n LYS 232 Cb 0.58 -2.22 0.03 0.00 -0.02 0.00 0.00 35.03 33.40 3kqz n LYS 232 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3kqz h ASN 233 N 0.00 0.76 0.39 4.39 2.35 -1.93 -0.12 115.58 121.41 3kqz h ASN 233 Ca 0.37 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 3kqz h ASN 233 Cb 0.61 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3kqz h ASN 233 CO -0.97 0.64 -0.52 0.25 -1.65 0.00 0.00 177.43 175.19 3kqz h LEU 234 N 0.82 0.16 -0.23 1.61 5.85 -1.80 0.69 115.31 122.41 3kqz h LEU 234 Ca 0.21 -0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 3kqz h LEU 234 Cb 0.06 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3kqz h LEU 234 CO -0.03 0.65 -0.58 0.15 -0.34 0.00 0.00 178.44 178.29 3kqz h PHE 235 N 0.12 1.02 -0.47 1.25 3.57 -1.04 0.30 116.94 121.68 3kqz h PHE 235 Ca 0.00 -0.39 -0.06 0.00 3.53 0.00 0.00 57.97 61.04 3kqz h PHE 235 Cb 0.96 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 3kqz h PHE 235 CO 0.01 1.21 0.03 -0.09 -2.23 0.00 0.00 178.31 177.25 3kqz h ARG 236 N 0.54 0.75 -0.15 1.11 2.43 -0.22 -1.16 114.38 117.69 3kqz h ARG 236 Ca -0.01 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3kqz h ARG 236 Cb 1.20 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3kqz h ARG 236 CO 0.13 0.74 0.09 0.35 -1.51 0.00 0.00 179.97 179.77 3kqz h PHE 237 N 0.71 0.20 -0.34 2.20 3.57 0.78 -0.62 116.94 123.44 3kqz h PHE 237 Ca 0.15 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.71 3kqz h PHE 237 Cb 0.39 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 3kqz h PHE 237 CO 0.02 0.17 -0.39 0.35 -2.23 0.00 0.00 178.31 176.23 3kqz h PHE 238 N 0.17 -1.13 -0.61 0.41 3.57 -0.17 0.20 116.94 119.38 3kqz h PHE 238 Ca 0.05 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3kqz h PHE 238 Cb 0.03 0.54 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3kqz h PHE 238 CO -0.05 -0.43 0.37 -0.07 -2.23 0.00 0.00 178.31 175.90 3kqz h LEU 239 N -0.34 0.60 -0.22 0.59 3.38 -0.95 0.22 115.31 118.59 3kqz h LEU 239 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kqz h LEU 239 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3kqz h LEU 239 CO -0.52 0.42 0.02 -0.33 0.09 0.00 0.00 178.44 178.12 3kqz h GLU 240 N 0.72 0.37 -0.81 1.13 5.08 -0.46 0.86 114.58 121.47 3kqz h GLU 240 Ca 0.24 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3kqz h GLU 240 Cb 0.03 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3kqz h GLU 240 CO -0.11 0.53 0.40 1.15 -1.00 0.00 0.00 179.01 179.98 3kqz h THR 241 N 0.16 1.25 -0.12 1.13 2.02 -0.47 0.28 112.91 117.16 3kqz h THR 241 Ca 0.06 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3kqz h THR 241 Cb 0.34 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3kqz h THR 241 CO 0.01 0.30 0.06 0.25 0.37 0.00 0.00 175.52 176.50 3kqz h LEU 242 N 1.14 0.09 -0.19 2.58 5.85 -0.24 0.82 115.31 125.35 3kqz h LEU 242 Ca 0.28 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3kqz h LEU 242 Cb 0.10 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3kqz h LEU 242 CO -0.04 0.07 0.11 -0.26 -0.34 0.00 0.00 178.44 177.98 3kqz h PHE 243 N 0.13 0.26 -0.45 1.25 0.04 -0.25 -0.69 116.94 117.23 3kqz h PHE 243 Ca 0.05 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.68 3kqz h PHE 243 Cb 0.00 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3kqz h PHE 243 CO -0.09 0.24 -0.21 -0.92 -0.60 0.00 0.00 178.31 176.73 3kqz h TYR 244 N 0.21 1.08 -0.04 -0.55 3.20 -0.27 -2.10 116.97 118.50 3kqz h TYR 244 Ca 0.07 -0.27 -0.15 0.00 3.14 0.00 0.00 58.73 61.52 3kqz h TYR 244 Cb 0.06 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3kqz h TYR 244 CO -0.04 1.07 -0.65 0.93 -1.64 0.00 0.00 178.16 177.83 3kqz h GLU 245 N 0.77 0.18 -0.25 1.82 4.39 -0.74 -3.30 114.58 117.45 3kqz h GLU 245 Ca 0.10 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 3kqz h GLU 245 Cb 0.78 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3kqz h GLU 245 CO 0.06 0.76 -0.50 -0.92 -1.16 0.00 0.00 179.01 177.26 3kqz h TYR 246 N 0.13 0.98 -2.66 4.33 3.20 -0.85 -3.42 116.97 118.68 3kqz h TYR 246 Ca -0.01 -0.36 -0.53 0.00 3.14 0.00 0.00 58.73 60.98 3kqz h TYR 246 Cb 1.16 -0.18 0.04 0.00 1.54 0.00 0.00 36.73 39.29 3kqz h TYR 246 CO 0.02 1.16 1.02 1.41 -1.64 0.00 0.00 178.16 180.12 3kqz s MET 247 N -4.09 4.17 0.03 1.82 1.75 -0.81 -5.01 119.30 117.16 3kqz s MET 247 Ca -0.11 2.47 0.06 0.00 -1.25 0.00 0.00 55.69 56.85 3kqz s MET 247 Cb 0.09 -3.44 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 3kqz s MET 247 CO 0.87 -0.75 -0.14 0.95 -0.65 0.00 0.00 175.02 175.29 3kqz s THR 248 N 2.20 3.06 -0.61 10.11 -4.23 -1.26 -4.94 115.64 119.97 3kqz s THR 248 Ca 0.76 -1.06 -0.22 0.00 -1.18 0.00 0.00 61.69 59.99 3kqz s THR 248 Cb -0.44 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.16 3kqz s THR 248 CO 0.33 0.35 0.89 -0.62 -0.54 0.00 0.00 174.62 175.03 3kqz s ASP 249 N -1.45 6.22 0.00 3.99 -1.08 -1.26 -4.89 116.67 118.20 3kqz s ASP 249 Ca 0.16 -0.88 0.19 0.00 -0.52 0.00 0.00 52.55 51.49 3kqz s ASP 249 Cb -0.11 -2.39 0.38 0.00 -1.46 0.00 0.00 42.92 39.34 3kqz s ASP 249 CO 0.06 -1.28 1.31 -0.62 0.52 0.00 0.00 175.17 175.16 3kqz n GLU 250 N 7.30 2.35 0.04 4.34 4.71 -1.26 -4.66 120.64 133.46 3kqz n GLU 250 Ca -0.03 -2.13 0.10 0.00 -0.01 0.00 0.00 57.16 55.08 3kqz n GLU 250 Cb 0.46 -1.42 0.55 0.00 -1.01 0.00 0.00 31.44 30.01 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kqz h ARG 251 N 3.56 0.27 -0.41 3.49 3.08 -1.97 -1.97 114.38 120.43 3kqz h ARG 251 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kqz h ARG 251 Cb 0.86 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3kqz h ARG 251 CO 0.00 0.18 0.00 1.19 -1.07 0.00 0.00 179.97 180.27 3kqz n PHE 252 N -4.48 0.61 -3.37 3.04 3.01 -1.26 -4.93 117.46 110.09 3kqz n PHE 252 Ca 0.05 -0.53 -0.36 0.00 1.01 0.00 0.00 57.45 57.62 3kqz n PHE 252 Cb 0.25 -0.05 -0.06 0.00 -0.01 0.00 0.00 39.48 39.61 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 -1.16 3.99 -0.29 -1.08 -0.14 -0.74 -5.25 119.74 115.06 3kqz s LYS 253 Ca 0.29 0.49 0.12 0.00 -1.36 0.00 0.00 55.97 55.51 3kqz s LYS 253 Cb 0.16 -2.97 0.73 0.00 -1.68 0.00 0.00 37.83 34.07 3kqz s LYS 253 CO 0.18 0.50 1.74 -1.13 -0.76 0.00 0.00 175.35 175.88 3kqz n SER 254 N 0.92 4.84 0.00 2.83 3.41 -1.26 -5.05 113.62 119.31 3kqz n SER 254 Ca -0.06 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 3kqz n SER 254 Cb 0.52 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3kqz n SER 254 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqz n ASN 260 N -0.06 0.00 -4.13 4.04 0.23 -1.26 -5.18 115.26 108.90 3kqz n ASN 260 Ca 0.35 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.30 3kqz n ASN 260 Cb 1.27 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.88 3kqz n ASN 260 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kqz s MET 261 N -0.78 1.09 0.05 -3.83 0.00 -1.26 -3.95 119.30 110.63 3kqz s MET 261 Ca 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 55.69 54.27 3kqz s MET 261 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 34.83 35.09 3kqz s MET 261 CO 0.00 -0.35 -0.11 -1.21 0.00 0.00 0.00 175.02 173.35 3kqz s GLU 262 N -4.07 0.66 0.18 3.16 2.02 -1.04 -4.95 118.70 114.66 3kqz s GLU 262 Ca 0.28 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 3kqz s GLU 262 Cb 0.06 -0.55 -0.08 0.00 0.10 0.00 0.00 34.13 33.66 3kqz s GLU 262 CO 0.05 0.11 1.28 0.71 0.02 0.00 0.00 175.26 177.44 3kqz s TYR 263 N -1.29 3.31 0.70 1.61 2.02 -1.26 -4.63 117.35 117.82 3kqz s TYR 263 Ca -0.06 1.25 -0.16 0.00 -0.37 0.00 0.00 57.07 57.74 3kqz s TYR 263 Cb -0.10 -3.56 0.02 0.00 -0.40 0.00 0.00 41.96 37.93 3kqz s TYR 263 CO 0.01 -1.72 1.21 0.96 -1.57 0.00 0.00 175.55 174.45 3kqz s ILE 264 N 0.20 2.34 -0.13 2.71 -4.36 -1.26 -4.92 121.20 115.78 3kqz s ILE 264 Ca 0.56 0.18 0.21 0.00 -0.26 0.00 0.00 60.65 61.34 3kqz s ILE 264 Cb -0.35 -2.82 -0.31 0.00 1.25 0.00 0.00 42.46 40.23 3kqz s ILE 264 CO 0.37 -0.08 0.50 0.29 0.24 0.00 0.00 174.94 176.26 3kqz n LYS 265 N -2.49 0.60 -4.30 0.37 4.76 0.57 -4.52 118.16 113.15 3kqz n LYS 265 Ca 0.14 -0.17 -0.20 0.00 -2.87 0.00 0.00 58.31 55.21 3kqz n LYS 265 Cb 0.50 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 32.04 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqz s HIS 266 N -3.39 0.87 -0.18 2.13 3.76 -0.99 -0.22 115.29 117.27 3kqz s HIS 266 Ca -0.06 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 3kqz s HIS 266 Cb 0.14 -0.67 0.03 0.00 1.11 0.00 0.00 32.58 33.19 3kqz s HIS 266 CO 0.86 -0.14 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.33 3kqz s LEU 267 N 0.47 2.01 -0.07 0.89 2.96 0.78 -1.12 118.68 124.60 3kqz s LEU 267 Ca -0.07 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.11 3kqz s LEU 267 Cb -0.11 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 3kqz s LEU 267 CO 0.01 -0.11 0.05 -0.83 -1.32 0.00 0.00 176.35 174.16 3kqz s GLY 268 N 1.44 1.97 -0.10 7.98 0.00 0.15 -1.64 107.32 117.12 3kqz s GLY 268 Ca 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3kqz s GLY 268 CO -0.09 -0.58 -0.16 0.14 0.00 0.00 0.00 173.10 172.40 3kqz s VAL 269 N -1.01 1.54 -0.24 1.40 1.01 0.04 -0.31 120.40 122.83 3kqz s VAL 269 Ca 0.16 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3kqz s VAL 269 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3kqz s VAL 269 CO 0.06 0.45 0.11 -0.31 0.00 0.00 0.00 175.10 175.41 3kqz s TYR 270 N 0.81 3.19 0.05 5.22 1.51 0.56 0.10 117.35 128.80 3kqz s TYR 270 Ca -0.10 -0.08 -0.14 0.00 -1.01 0.00 0.00 57.07 55.74 3kqz s TYR 270 Cb -0.16 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.46 3kqz s TYR 270 CO 0.01 -0.14 0.30 -1.50 -1.11 0.00 0.00 175.55 173.11 3kqz s ILE 271 N 1.33 0.09 0.36 2.71 2.07 -0.47 -1.08 121.20 126.21 3kqz s ILE 271 Ca 0.06 -0.71 -0.27 0.00 -1.41 0.00 0.00 60.65 58.32 3kqz s ILE 271 Cb -0.15 -0.98 -0.09 0.00 0.13 0.00 0.00 42.46 41.37 3kqz s ILE 271 CO 0.05 -0.39 1.23 0.21 -1.91 0.00 0.00 174.94 174.13 3kqz s ASN 272 N -2.16 6.68 -1.23 4.50 2.47 -1.26 -0.80 114.94 123.14 3kqz s ASN 272 Ca -0.04 2.50 -0.03 0.00 0.42 0.00 0.00 52.86 55.71 3kqz s ASN 272 Cb -0.00 -2.63 -0.01 0.00 -1.45 0.00 0.00 41.25 37.15 3kqz s ASN 272 CO -0.04 -0.58 0.81 0.59 -3.72 0.00 0.00 177.10 174.16 3kqz n ASN 273 N 0.49 -2.56 -0.32 -4.21 5.03 -1.26 -4.90 115.26 107.53 3kqz n ASN 273 Ca 0.02 -0.78 0.06 0.00 0.87 0.00 0.00 54.58 54.75 3kqz n ASN 273 Cb 0.44 -4.39 0.22 0.00 -1.02 0.00 0.00 39.78 35.03 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kqz h ALA 274 N 0.73 1.37 -0.02 5.41 0.00 -1.82 -1.74 119.26 123.19 3kqz h ALA 274 Ca -0.61 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.35 3kqz h ALA 274 Cb 1.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kqz h ALA 274 CO 0.52 0.10 0.01 -0.44 0.00 0.00 0.00 179.25 179.45 3kqz h ASP 275 N 0.83 0.00 1.36 0.00 3.32 -1.90 0.65 116.42 120.69 3kqz h ASP 275 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3kqz h ASP 275 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kqz h ASP 275 CO -0.29 0.00 -0.47 0.71 -1.72 0.00 0.00 179.24 177.47 3kqz h THR 276 N 0.00 0.00 0.00 0.35 1.35 -1.69 -3.33 112.91 109.59 3kqz h THR 276 Ca 0.01 -0.84 -0.06 0.00 -0.55 0.00 0.00 66.41 64.96 3kqz h THR 276 Cb 0.04 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 3kqz h THR 276 CO -0.00 0.00 -1.07 1.88 -0.25 0.00 0.00 175.52 176.08 3kqz h TYR 277 N 0.00 0.00 -0.98 4.73 0.05 -0.87 -3.36 116.97 116.55 3kqz h TYR 277 Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.01 3kqz h TYR 277 Cb 0.92 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.58 3kqz h TYR 277 CO 0.00 0.23 0.64 0.87 -1.05 0.00 0.00 178.16 178.85 3kqz h LYS 278 N 0.00 0.40 0.00 4.88 1.57 -1.48 -1.30 116.57 120.65 3kqz h LYS 278 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3kqz h LYS 278 Cb 1.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3kqz h LYS 278 CO 0.02 0.27 0.00 -0.85 -0.57 0.00 0.00 179.45 178.32 3kqz n GLU 279 N -4.56 0.03 0.15 3.15 0.28 -1.26 -2.61 120.64 115.82 3kqz n GLU 279 Ca 0.22 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.44 3kqz n GLU 279 Cb 0.78 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 32.32 3kqz n GLU 279 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kqz h GLU 280 N 0.00 0.00 0.96 3.44 4.39 -1.49 -3.37 114.58 118.51 3kqz h GLU 280 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3kqz h GLU 280 Cb 0.39 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3kqz h GLU 280 CO 0.00 0.00 -0.47 0.28 -1.16 0.00 0.00 179.01 177.66 3kqz h VAL 281 N 0.00 0.00 -0.08 3.13 2.07 -1.59 0.20 116.25 119.98 3kqz h VAL 281 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3kqz h VAL 281 Cb 0.92 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3kqz h VAL 281 CO 0.00 0.00 -0.34 -0.33 0.02 0.00 0.00 177.57 176.92 3kqz h GLU 282 N -1.30 0.15 -0.65 1.57 4.39 -1.79 -0.23 114.58 116.72 3kqz h GLU 282 Ca -0.13 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.53 3kqz h GLU 282 Cb 1.00 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 3kqz h GLU 282 CO 0.21 0.48 0.41 -0.22 -1.16 0.00 0.00 179.01 178.73 3kqz h LYS 283 N 0.13 0.79 -0.78 2.33 3.64 -1.70 -1.73 116.57 119.26 3kqz h LYS 283 Ca 0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3kqz h LYS 283 Cb 0.67 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3kqz h LYS 283 CO 0.05 0.52 0.31 0.00 -2.27 0.00 0.00 179.45 178.07 3kqz h ALA 284 N 1.27 1.01 -0.06 5.00 0.00 0.40 0.40 119.26 127.28 3kqz h ALA 284 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kqz h ALA 284 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3kqz h ALA 284 CO -0.09 0.64 -0.27 -0.09 0.00 0.00 0.00 179.25 179.43 3kqz h ARG 285 N 1.13 0.11 0.02 0.00 2.43 -0.75 0.18 114.38 117.50 3kqz h ARG 285 Ca 0.26 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.17 3kqz h ARG 285 Cb 0.21 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3kqz h ARG 285 CO -0.02 0.38 -0.88 0.28 -1.51 0.00 0.00 179.97 178.22 3kqz h VAL 286 N 0.10 1.34 -0.23 0.20 2.07 -0.57 -2.79 116.25 116.38 3kqz h VAL 286 Ca 0.02 -2.21 -0.08 0.00 0.82 0.00 0.00 66.70 65.25 3kqz h VAL 286 Cb 0.54 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3kqz h VAL 286 CO 0.04 0.67 -0.19 1.88 0.02 0.00 0.00 177.57 179.99 3kqz h TYR 287 N 0.16 0.44 -0.36 1.57 -1.99 -0.49 -1.55 116.97 114.77 3kqz h TYR 287 Ca -0.12 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.53 3kqz h TYR 287 Cb 1.57 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 40.17 3kqz h TYR 287 CO 0.12 0.58 0.20 -0.92 -0.00 0.00 0.00 178.16 178.15 3kqz h TYR 288 N 0.37 0.48 -0.05 4.88 3.20 -0.62 -2.41 116.97 122.81 3kqz h TYR 288 Ca 0.06 -0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.69 3kqz h TYR 288 Cb 0.55 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.68 3kqz h TYR 288 CO 0.01 0.36 -0.92 0.35 -1.64 0.00 0.00 178.16 176.33 3kqz h PHE 289 N 0.45 0.95 -0.79 -3.82 3.57 -1.12 0.38 116.94 116.57 3kqz h PHE 289 Ca 0.13 -0.48 0.16 0.00 3.53 0.00 0.00 57.97 61.31 3kqz h PHE 289 Cb 0.04 -0.12 -0.15 0.00 2.79 0.00 0.00 35.95 38.50 3kqz h PHE 289 CO -0.03 1.31 -0.18 0.78 -2.23 0.00 0.00 178.31 177.95 3kqz h GLY 290 N 0.65 0.59 0.92 2.40 0.00 -1.31 0.66 103.07 106.98 3kqz h GLY 290 Ca -0.09 0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 3kqz h GLY 290 CO 0.18 -0.30 -0.54 -0.84 0.00 0.00 0.00 176.54 175.04 3kqz h THR 291 N 0.00 1.35 -0.52 4.70 2.02 -1.14 -1.38 112.91 117.95 3kqz h THR 291 Ca 0.39 -1.84 -0.08 0.00 0.77 0.00 0.00 66.41 65.65 3kqz h THR 291 Cb 0.60 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 3kqz h THR 291 CO -0.81 0.56 0.02 0.22 0.37 0.00 0.00 175.52 175.88 3kqz h TYR 292 N 0.18 0.97 -0.35 3.16 3.20 0.16 -0.82 116.97 123.46 3kqz h TYR 292 Ca -0.04 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3kqz h TYR 292 Cb 1.18 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 3kqz h TYR 292 CO 0.11 0.89 0.17 -0.92 -1.64 0.00 0.00 178.16 176.77 3kqz h TYR 293 N 0.77 0.50 -0.32 -3.82 3.20 0.39 0.66 116.97 118.34 3kqz h TYR 293 Ca 0.15 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3kqz h TYR 293 Cb 0.49 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3kqz h TYR 293 CO 0.04 0.43 0.12 0.00 -1.64 0.00 0.00 178.16 177.11 3kqz h ALA 294 N 1.02 0.37 -0.94 1.82 0.00 -1.11 -0.54 119.26 119.88 3kqz h ALA 294 Ca 0.12 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.19 3kqz h ALA 294 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3kqz h ALA 294 CO -0.01 -0.27 0.60 1.03 0.00 0.00 0.00 179.25 180.59 3kqz h SER 295 N 0.27 0.79 0.77 0.00 0.87 -0.70 0.12 113.55 115.67 3kqz h SER 295 Ca 0.14 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3kqz h SER 295 Cb 0.10 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3kqz h SER 295 CO -0.14 0.41 -0.39 1.56 -0.53 0.00 0.00 176.83 177.75 3kqz h GLN 296 N 0.85 0.00 0.17 2.24 4.20 0.73 -0.11 115.11 123.18 3kqz h GLN 296 Ca 0.47 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.88 3kqz h GLN 296 Cb 0.59 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.39 3kqz h GLN 296 CO -0.23 0.39 -1.31 -0.07 -0.67 0.00 0.00 178.83 176.93 3kqz h LEU 297 N 0.00 0.66 -0.18 1.46 3.38 -0.35 -2.67 115.31 117.61 3kqz h LEU 297 Ca -0.00 -0.68 -0.15 0.00 0.09 0.00 0.00 57.88 57.14 3kqz h LEU 297 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kqz h LEU 297 CO 0.05 1.52 -0.46 0.40 0.09 0.00 0.00 178.44 180.03 3kqz h ILE 298 N 0.14 1.33 0.00 1.22 2.04 -0.38 -3.01 117.51 118.85 3kqz h ILE 298 Ca -0.18 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 63.94 3kqz h ILE 298 Cb 2.01 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 40.02 3kqz h ILE 298 CO 0.23 0.53 -0.14 0.00 0.00 0.00 0.00 178.15 178.77 3kqz h ALA 299 N 0.57 1.01 -2.42 1.87 0.00 -1.13 -3.40 119.26 115.76 3kqz h ALA 299 Ca -0.01 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 3kqz h ALA 299 Cb 1.08 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.87 3kqz h ALA 299 CO 0.10 0.18 1.11 0.00 0.00 0.00 0.00 179.25 180.64 3kqz s ALA 300 N -3.62 3.68 0.94 0.00 0.00 -1.01 -4.95 121.76 116.80 3kqz s ALA 300 Ca 0.01 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 3kqz s ALA 300 Cb 0.09 -3.76 0.16 0.00 0.00 0.00 0.00 23.12 19.61 3kqz s ALA 300 CO 0.61 -1.30 1.12 -2.14 0.00 0.00 0.00 175.76 174.05 3kqz s PRO 301 N 3.31 0.83 0.60 0.00 0.02 -1.26 -4.56 135.00 133.93 3kqz s PRO 301 Ca 0.80 1.36 0.38 0.00 0.02 0.00 0.00 61.00 63.56 3kqz s PRO 301 Cb -0.42 -1.72 1.81 0.00 0.02 0.00 0.00 34.50 34.19 3kqz s PRO 301 CO 0.36 -2.69 2.14 0.77 -0.33 0.00 0.00 177.00 177.24 3kqz h SER 302 N -1.91 0.00 1.38 2.53 0.02 -1.81 0.16 113.55 113.92 3kqz h SER 302 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3kqz h SER 302 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3kqz h SER 302 CO 0.45 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.68 3kqz n ASN 303 N -3.07 0.69 -0.12 3.07 6.94 -1.26 -3.63 115.26 117.87 3kqz n ASN 303 Ca -0.01 0.57 -0.24 0.00 -0.02 0.00 0.00 54.58 54.88 3kqz n ASN 303 Cb 0.21 -0.75 -0.11 0.00 -2.36 0.00 0.00 39.78 36.76 3kqz n ASN 303 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3kqz n TYR 304 N -2.15 0.14 -3.50 -2.53 4.01 -0.56 -4.25 117.16 108.33 3kqz n TYR 304 Ca 0.06 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 3kqz n TYR 304 Cb 0.41 -1.02 -0.07 0.00 -0.31 0.00 0.00 39.34 38.35 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 2.64 3.33 0.30 0.00 2.20 -1.25 -4.35 114.94 117.81 3kqz s ASN 306 Ca 0.07 -1.55 0.04 0.00 -0.94 0.00 0.00 52.86 50.49 3kqz s ASN 306 Cb -0.25 0.21 0.67 0.00 -2.00 0.00 0.00 41.25 39.88 3kqz s ASN 306 CO -0.01 -0.74 1.82 -0.65 -2.94 0.00 0.00 177.10 174.58 3kqz h PRO 307 N 1.72 0.83 0.02 3.55 0.11 -1.86 0.19 132.00 136.56 3kqz h PRO 307 Ca -0.41 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kqz h PRO 307 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kqz h PRO 307 CO 0.70 0.55 -0.01 0.28 -0.21 0.00 0.00 178.00 179.31 3kqz h VAL 308 N 0.86 1.41 -0.24 3.15 2.07 -1.94 -1.95 116.25 119.60 3kqz h VAL 308 Ca 0.52 -1.36 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 3kqz h VAL 308 Cb 0.68 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3kqz h VAL 308 CO -0.29 0.35 -0.38 0.77 0.02 0.00 0.00 177.57 178.03 3kqz h SER 309 N -0.62 0.59 -0.39 0.57 4.64 -1.75 0.96 113.55 117.56 3kqz h SER 309 Ca -0.00 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 3kqz h SER 309 Cb 0.59 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3kqz h SER 309 CO 0.00 0.91 -0.20 0.25 -0.87 0.00 0.00 176.83 176.93 3kqz h LEU 310 N 0.47 0.89 -0.68 5.97 6.46 -0.70 -0.74 115.31 126.97 3kqz h LEU 310 Ca 0.04 -0.32 -0.14 0.00 -0.12 0.00 0.00 57.88 57.35 3kqz h LEU 310 Cb 0.88 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 3kqz h LEU 310 CO 0.08 1.06 -0.46 0.77 -0.62 0.00 0.00 178.44 179.26 3kqz h SER 311 N 0.77 0.51 0.01 1.25 4.64 -0.91 -2.01 113.55 117.80 3kqz h SER 311 Ca 0.11 -0.24 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3kqz h SER 311 Cb 0.73 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3kqz h SER 311 CO 0.06 0.90 -0.11 0.78 -0.87 0.00 0.00 176.83 177.59 3kqz h ASN 312 N 0.38 -0.30 -0.78 4.97 2.35 -0.46 -0.44 115.58 121.30 3kqz h ASN 312 Ca 0.02 0.04 0.18 0.00 -0.55 0.00 0.00 56.30 56.00 3kqz h ASN 312 Cb 0.96 0.13 -0.13 0.00 0.05 0.00 0.00 38.32 39.32 3kqz h ASN 312 CO 0.08 -0.15 0.05 0.00 -1.65 0.00 0.00 177.43 175.76 3kqz h ALA 313 N 0.77 0.88 -0.33 -0.83 0.00 -1.08 0.21 119.26 118.88 3kqz h ALA 313 Ca 0.04 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kqz h ALA 313 Cb 0.23 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3kqz h ALA 313 CO -0.10 -0.43 0.15 0.00 0.00 0.00 0.00 179.25 178.87 3kqz h ALA 314 N 1.72 0.42 -0.61 0.00 0.00 -0.57 0.39 119.26 120.61 3kqz h ALA 314 Ca 0.44 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.27 3kqz h ALA 314 Cb 0.80 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3kqz h ALA 314 CO -0.66 0.00 0.36 0.28 0.00 0.00 0.00 179.25 179.23 3kqz h VAL 315 N 0.39 1.04 -0.40 0.00 2.07 -0.19 0.34 116.25 119.50 3kqz h VAL 315 Ca 0.11 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3kqz h VAL 315 Cb 0.15 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3kqz h VAL 315 CO -0.01 0.13 0.13 -0.08 0.02 0.00 0.00 177.57 177.75 3kqz h GLU 316 N 0.70 0.61 -0.43 1.57 4.81 0.00 0.98 114.58 122.83 3kqz h GLU 316 Ca 0.25 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3kqz h GLU 316 Cb 0.07 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 3kqz h GLU 316 CO -0.12 0.61 -0.07 1.25 -0.73 0.00 0.00 179.01 179.95 3kqz h LEU 317 N 0.49 -0.32 -0.12 1.64 5.85 0.19 -1.37 115.31 121.68 3kqz h LEU 317 Ca 0.13 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.01 3kqz h LEU 317 Cb 0.25 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3kqz h LEU 317 CO -0.00 -0.11 -0.15 0.00 -0.34 0.00 0.00 178.44 177.83 3kqz h ALA 318 N 1.41 -0.08 -0.13 1.25 0.00 0.24 -1.13 119.26 120.80 3kqz h ALA 318 Ca 0.21 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3kqz h ALA 318 Cb 0.31 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3kqz h ALA 318 CO -0.41 -0.61 -0.13 1.96 0.00 0.00 0.00 179.25 180.07 3kqz h GLN 319 N -0.20 -0.15 -0.84 0.00 4.20 -0.67 0.33 115.11 117.78 3kqz h GLN 319 Ca 0.09 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.89 3kqz h GLN 319 Cb 0.32 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.08 3kqz h GLN 319 CO -0.23 -0.10 0.55 0.87 -0.67 0.00 0.00 178.83 179.25 3kqz h LYS 320 N -0.15 0.84 -0.01 1.46 1.57 -0.88 -1.65 116.57 117.75 3kqz h LYS 320 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kqz h LYS 320 Cb 0.29 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3kqz h LYS 320 CO -0.23 0.55 -0.29 1.28 -0.57 0.00 0.00 179.45 180.20 3kqz n LEU 321 N -4.50 0.99 -3.51 2.94 4.77 -0.46 -4.95 117.00 112.27 3kqz n LEU 321 Ca 0.14 -0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 55.67 3kqz n LEU 321 Cb 0.27 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 3kqz n LEU 321 CO 0.32 0.19 0.17 0.59 -1.33 0.00 0.00 177.39 177.34 3kqz n ASN 322 N -0.73 -4.06 -4.91 -1.43 3.02 0.97 -4.94 115.26 103.17 3kqz n ASN 322 Ca 0.11 -0.58 -0.28 0.00 -0.03 0.00 0.00 54.58 53.80 3kqz n ASN 322 Cb 0.35 -5.09 -0.03 0.00 -0.61 0.00 0.00 39.78 34.40 3kqz n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kqz s LEU 323 N -6.80 4.11 0.49 3.41 1.43 -0.12 -5.02 118.68 116.19 3kqz s LEU 323 Ca 0.27 0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 53.76 3kqz s LEU 323 Cb -0.12 -3.39 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 3kqz s LEU 323 CO 0.73 -0.15 1.09 -1.61 0.23 0.00 0.00 176.35 176.64 3kqz s GLU 324 N -3.51 3.67 -0.02 1.70 8.01 -0.69 -4.58 118.70 123.28 3kqz s GLU 324 Ca 0.42 1.53 -0.18 0.00 0.01 0.00 0.00 54.97 56.75 3kqz s GLU 324 Cb -0.11 -2.15 0.03 0.00 -4.31 0.00 0.00 34.13 27.59 3kqz s GLU 324 CO 0.30 -0.57 0.38 1.52 0.01 0.00 0.00 175.26 176.90 3kqz s TYR 325 N -1.81 -0.27 -0.06 1.61 -0.85 -1.26 -0.79 117.35 113.91 3kqz s TYR 325 Ca 0.68 0.44 -0.03 0.00 -0.52 0.00 0.00 57.07 57.64 3kqz s TYR 325 Cb -0.21 0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.31 3kqz s TYR 325 CO 0.25 -0.42 0.14 0.21 -1.52 0.00 0.00 175.55 174.21 3kqz s LYS 326 N -1.25 0.10 -0.22 -3.49 2.20 0.14 -4.98 119.74 112.24 3kqz s LYS 326 Ca -0.13 0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.78 3kqz s LYS 326 Cb -0.04 -0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 3kqz s LYS 326 CO 0.05 -0.14 -0.01 0.42 -0.36 0.00 0.00 175.35 175.31 3kqz s ILE 327 N 1.00 3.76 -0.04 5.43 -1.09 -1.26 -1.52 121.20 127.48 3kqz s ILE 327 Ca -0.08 -0.37 -0.16 0.00 -2.23 0.00 0.00 60.65 57.82 3kqz s ILE 327 Cb -0.10 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 3kqz s ILE 327 CO -0.05 0.41 0.43 -0.76 -1.23 0.00 0.00 174.94 173.74 3kqz s LEU 328 N 1.30 4.40 0.60 2.97 1.43 0.02 -4.87 118.68 124.53 3kqz s LEU 328 Ca 0.04 0.91 0.09 0.00 -1.03 0.00 0.00 54.13 54.14 3kqz s LEU 328 Cb -0.15 -2.63 0.10 0.00 0.03 0.00 0.00 46.19 43.55 3kqz s LEU 328 CO 0.00 0.21 0.82 -0.83 0.23 0.00 0.00 176.35 176.78 3kqz s GLY 329 N -0.44 1.71 0.35 -3.19 0.00 -1.26 -1.05 107.32 103.43 3kqz s GLY 329 Ca 0.24 -2.18 0.04 0.00 0.00 0.00 0.00 44.72 42.82 3kqz s GLY 329 CO 0.12 -1.69 1.97 -0.39 0.00 0.00 0.00 173.10 173.12 3kqz h VAL 330 N 0.10 1.08 -0.27 1.40 -1.51 -1.96 -0.91 116.25 114.18 3kqz h VAL 330 Ca -0.29 -0.29 -0.07 0.00 -1.23 0.00 0.00 66.70 64.82 3kqz h VAL 330 Cb 1.29 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 3kqz h VAL 330 CO 0.40 0.15 -0.11 0.50 -1.23 0.00 0.00 177.57 177.28 3kqz h LYS 331 N 0.84 0.55 -0.18 5.19 3.64 -1.95 0.65 116.57 125.31 3kqz h LYS 331 Ca 0.29 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3kqz h LYS 331 Cb 0.12 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3kqz h LYS 331 CO -0.09 0.79 -0.05 0.93 -2.27 0.00 0.00 179.45 178.76 3kqz h GLU 332 N 0.29 0.28 0.03 1.90 5.08 -1.85 -0.90 114.58 119.41 3kqz h GLU 332 Ca 0.06 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.12 3kqz h GLU 332 Cb 0.62 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3kqz h GLU 332 CO 0.04 0.35 -1.03 -0.07 -1.00 0.00 0.00 179.01 177.30 3kqz h LEU 333 N 0.27 0.66 0.21 1.33 3.38 -0.77 -0.81 115.31 119.58 3kqz h LEU 333 Ca 0.06 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3kqz h LEU 333 Cb 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kqz h LEU 333 CO 0.01 1.36 -0.10 -0.33 0.09 0.00 0.00 178.44 179.47 3kqz h GLU 334 N 0.26 -0.28 -0.67 1.13 5.08 -0.68 -1.23 114.58 118.20 3kqz h GLU 334 Ca -0.11 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.38 3kqz h GLU 334 Cb 1.68 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.95 3kqz h GLU 334 CO 0.19 -0.17 0.45 0.93 -1.00 0.00 0.00 179.01 179.40 3kqz h GLU 335 N -0.30 0.42 -0.00 2.33 5.08 -0.96 0.26 114.58 121.40 3kqz h GLU 335 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kqz h GLU 335 Cb 0.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kqz h GLU 335 CO 0.05 0.28 -0.05 1.28 -1.00 0.00 0.00 179.01 179.57 3kqz n LEU 336 N -4.47 0.33 -1.80 1.33 4.77 -0.33 -4.92 117.00 111.90 3kqz n LEU 336 Ca 0.12 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 3kqz n LEU 336 Cb 0.42 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3kqz n LEU 336 CO 0.33 0.06 -0.11 0.29 -1.33 0.00 0.00 177.39 176.64 3kqz n LYS 337 N -0.96 -1.99 -1.71 3.23 4.76 0.91 -4.70 118.16 117.70 3kqz n LYS 337 Ca 0.17 0.65 -0.42 0.00 -2.87 0.00 0.00 58.31 55.85 3kqz n LYS 337 Cb 0.24 -4.92 -0.00 0.00 -1.84 0.00 0.00 35.03 28.50 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kqz n MET 338 N -2.59 3.05 0.08 1.97 2.81 -0.52 -2.41 117.12 119.51 3kqz n MET 338 Ca -0.13 -2.61 -0.03 0.00 -1.81 0.00 0.00 57.70 53.12 3kqz n MET 338 Cb 0.61 -3.18 0.20 0.00 -0.71 0.00 0.00 33.22 30.14 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 9.35 0.31 0.57 3.03 0.00 -1.73 0.12 103.07 114.72 3kqz h GLY 339 Ca 0.61 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3kqz h GLY 339 CO 1.85 0.27 -0.04 0.00 0.00 0.00 0.00 176.54 178.63 3kqz h ALA 340 N 1.33 0.05 0.31 3.60 0.00 -1.82 -0.76 119.26 121.97 3kqz h ALA 340 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kqz h ALA 340 Cb 0.85 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3kqz h ALA 340 CO 0.07 -0.17 -0.21 -0.92 0.00 0.00 0.00 179.25 178.02 3kqz h TYR 341 N -0.37 -0.54 -0.04 0.00 3.20 -1.65 -2.79 116.97 114.77 3kqz h TYR 341 Ca 0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3kqz h TYR 341 Cb 0.53 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3kqz h TYR 341 CO 0.09 -0.32 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.04 3kqz h LEU 342 N -0.51 0.06 -0.87 2.82 3.38 -0.79 -2.09 115.31 117.32 3kqz h LEU 342 Ca -0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3kqz h LEU 342 Cb 0.43 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3kqz h LEU 342 CO 0.02 0.25 0.14 0.28 0.09 0.00 0.00 178.44 179.21 3kqz h SER 343 N 0.06 0.92 -0.11 -0.43 0.02 -0.90 -2.54 113.55 110.57 3kqz h SER 343 Ca 0.01 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3kqz h SER 343 Cb 0.36 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3kqz h SER 343 CO 0.03 0.90 -0.04 0.58 -1.14 0.00 0.00 176.83 177.15 3kqz h VAL 344 N 0.93 1.17 -0.03 2.27 2.07 -1.12 -2.99 116.25 118.56 3kqz h VAL 344 Ca 0.20 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3kqz h VAL 344 Cb 0.35 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3kqz h VAL 344 CO 0.00 0.24 -0.10 0.61 0.02 0.00 0.00 177.57 178.34 3kqz n GLY 345 N -0.94 0.68 0.35 2.17 0.00 -1.05 -4.46 105.19 101.93 3kqz n GLY 345 Ca 0.00 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 3.97 0.64 -0.48 1.61 1.57 -1.30 0.52 116.57 123.09 3kqz h LYS 346 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kqz h LYS 346 Cb 0.90 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kqz h LYS 346 CO 0.00 0.42 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 3kqz n GLY 347 N -1.32 1.24 3.89 3.86 0.00 -1.22 -4.57 105.19 107.06 3kqz n GLY 347 Ca 0.25 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.92 6.55 0.08 1.61 0.15 0.17 -4.52 113.70 116.82 3kqz s SER 348 Ca 0.30 0.69 0.27 0.00 0.70 0.00 0.00 55.95 57.90 3kqz s SER 348 Cb 0.17 -2.13 1.05 0.00 -1.71 0.00 0.00 66.02 63.39 3kqz s SER 348 CO 0.18 0.08 1.84 1.15 1.20 0.00 0.00 173.24 177.69 3kqz n MET 349 N 0.33 0.09 -4.02 5.44 0.00 -1.26 -4.76 117.12 112.94 3kqz n MET 349 Ca -0.04 0.10 -0.35 0.00 0.00 0.00 0.00 57.70 57.42 3kqz n MET 349 Cb 0.52 -1.61 -0.09 0.00 0.00 0.00 0.00 33.22 32.04 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 -3.04 3.29 0.42 3.17 1.51 -1.26 -4.90 117.35 116.53 3kqz s TYR 350 Ca 0.12 0.15 -0.26 0.00 -1.01 0.00 0.00 57.07 56.08 3kqz s TYR 350 Cb 0.16 -2.03 -0.08 0.00 -0.11 0.00 0.00 41.96 39.89 3kqz s TYR 350 CO 0.53 0.27 1.31 -2.14 -1.11 0.00 0.00 175.55 174.41 3kqz s PRO 351 N 0.05 3.89 0.34 -1.71 0.02 -1.26 -4.83 135.00 131.50 3kqz s PRO 351 Ca 0.06 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.96 3kqz s PRO 351 Cb -0.12 -2.71 -0.12 0.00 0.02 0.00 0.00 34.50 31.57 3kqz s PRO 351 CO 0.01 -0.56 1.50 0.09 -0.33 0.00 0.00 177.00 177.71 3kqz n ASN 352 N 0.02 3.64 -3.96 2.53 4.13 -1.26 -4.46 115.26 115.89 3kqz n ASN 352 Ca 0.04 1.19 -0.25 0.00 1.68 0.00 0.00 54.58 57.24 3kqz n ASN 352 Cb 0.44 -1.58 -0.17 0.00 -1.54 0.00 0.00 39.78 36.92 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 -1.43 1.56 -0.25 3.52 -0.14 -1.02 -3.98 119.74 118.00 3kqz s LYS 353 Ca 0.58 -0.32 -0.07 0.00 -1.36 0.00 0.00 55.97 54.80 3kqz s LYS 353 Cb -0.50 -1.44 -0.02 0.00 -1.68 0.00 0.00 37.83 34.18 3kqz s LYS 353 CO 0.58 -0.11 0.05 0.12 -0.76 0.00 0.00 175.35 175.23 3kqz s PHE 354 N 1.13 3.07 -0.08 3.18 2.19 -0.22 -1.50 117.98 125.76 3kqz s PHE 354 Ca -0.06 -0.58 -0.21 0.00 0.33 0.00 0.00 56.93 56.41 3kqz s PHE 354 Cb -0.14 -2.22 -0.04 0.00 -1.31 0.00 0.00 43.02 39.31 3kqz s PHE 354 CO -0.02 -0.42 0.61 0.42 1.83 0.00 0.00 175.22 177.64 3kqz s ILE 355 N 1.58 5.09 -0.35 3.12 1.01 0.14 -0.79 121.20 130.99 3kqz s ILE 355 Ca 0.06 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.96 3kqz s ILE 355 Cb -0.15 -3.95 0.14 0.00 0.01 0.00 0.00 42.46 38.51 3kqz s ILE 355 CO 0.02 0.30 0.26 -2.28 0.00 0.00 0.00 174.94 173.24 3kqz s HIS 356 N 0.64 0.26 0.14 3.97 2.46 -0.57 -1.69 115.29 120.50 3kqz s HIS 356 Ca 0.33 -1.18 -0.02 0.00 0.47 0.00 0.00 55.06 54.66 3kqz s HIS 356 Cb -0.17 -0.71 -0.05 0.00 -0.13 0.00 0.00 32.58 31.52 3kqz s HIS 356 CO 0.15 -0.88 0.33 -0.51 -2.47 0.00 0.00 174.74 171.36 3kqz s LEU 357 N 1.40 4.28 -0.05 8.88 1.43 -0.56 -0.68 118.68 133.37 3kqz s LEU 357 Ca 0.16 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3kqz s LEU 357 Cb -0.19 -3.16 0.02 0.00 0.03 0.00 0.00 46.19 42.90 3kqz s LEU 357 CO -0.07 0.05 -0.04 -0.89 0.23 0.00 0.00 176.35 175.64 3kqz s THR 358 N -1.69 0.54 -0.28 5.49 2.01 0.02 -0.26 115.64 121.48 3kqz s THR 358 Ca 0.38 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 3kqz s THR 358 Cb -0.12 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 3kqz s THR 358 CO 0.27 0.24 0.20 -0.47 -0.69 0.00 0.00 174.62 174.17 3kqz s TYR 359 N 1.20 3.23 -0.03 4.92 5.04 -0.06 -1.70 117.35 129.95 3kqz s TYR 359 Ca -0.06 0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.75 3kqz s TYR 359 Cb -0.14 -2.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.76 3kqz s TYR 359 CO -0.02 -0.15 -0.14 0.21 -1.34 0.00 0.00 175.55 174.12 3kqz s LYS 360 N 1.72 2.45 0.48 4.97 2.20 -1.26 -0.46 119.74 129.84 3kqz s LYS 360 Ca 0.07 -0.74 -0.19 0.00 -0.36 0.00 0.00 55.97 54.76 3kqz s LYS 360 Cb -0.16 -2.37 -0.09 0.00 -1.51 0.00 0.00 37.83 33.70 3kqz s LYS 360 CO 0.10 0.61 0.99 -1.12 -0.36 0.00 0.00 175.35 175.57 3kqz s SER 361 N -0.92 6.61 0.20 1.43 0.01 -0.44 -4.98 113.70 115.61 3kqz s SER 361 Ca 0.13 1.72 -0.09 0.00 1.31 0.00 0.00 55.95 59.01 3kqz s SER 361 Cb -0.11 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.72 3kqz s SER 361 CO 0.02 -0.60 1.77 0.07 0.41 0.00 0.00 173.24 174.92 3kqz h LYS 362 N 1.41 1.09 0.00 12.44 -0.00 -1.91 -3.45 116.57 126.15 3kqz h LYS 362 Ca -0.48 -0.18 0.00 0.00 -0.00 0.00 0.00 60.65 59.98 3kqz h LYS 362 Cb 1.19 -0.18 0.00 0.00 -0.00 0.00 0.00 32.23 33.24 3kqz h LYS 362 CO 0.60 0.88 0.00 0.41 -0.00 0.00 0.00 179.45 181.34 3kqz n GLY 363 N -0.90 -1.71 3.77 0.07 0.00 -1.26 -4.99 105.19 100.17 3kqz n GLY 363 Ca 0.06 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.48 6.61 -0.27 1.61 -0.00 -1.26 -4.90 116.67 116.98 3kqz s ASP 364 Ca 0.00 2.20 -0.15 0.00 -0.00 0.00 0.00 52.55 54.60 3kqz s ASP 364 Cb 0.00 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.28 3kqz s ASP 364 CO 0.00 -0.60 0.38 -0.69 -0.00 0.00 0.00 175.17 174.26 3kqz s VAL 365 N -1.53 5.17 -0.04 -1.27 1.01 -1.26 -3.81 120.40 118.68 3kqz s VAL 365 Ca 0.58 0.58 0.10 0.00 0.00 0.00 0.00 61.98 63.24 3kqz s VAL 365 Cb -0.27 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 3kqz s VAL 365 CO 0.33 0.16 0.17 0.29 0.00 0.00 0.00 175.10 176.05 3kqz n LYS 366 N 5.30 0.98 -3.98 2.72 5.02 0.21 -4.93 118.16 123.48 3kqz n LYS 366 Ca -0.08 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 55.97 3kqz n LYS 366 Cb 0.51 -1.25 -0.16 0.00 -0.02 0.00 0.00 35.03 34.11 3kqz n LYS 366 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kqz s LYS 367 N -2.57 0.34 -0.23 1.97 1.02 -0.93 -5.03 119.74 114.31 3kqz s LYS 367 Ca -0.04 0.01 -0.07 0.00 0.02 0.00 0.00 55.97 55.89 3kqz s LYS 367 Cb 0.05 -0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 3kqz s LYS 367 CO 0.42 -0.08 0.06 0.15 -0.92 0.00 0.00 175.35 174.98 3kqz s LYS 368 N 0.74 3.69 -0.02 1.68 1.02 -1.26 -1.42 119.74 124.17 3kqz s LYS 368 Ca -0.08 -0.47 0.07 0.00 0.02 0.00 0.00 55.97 55.52 3kqz s LYS 368 Cb -0.11 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 3kqz s LYS 368 CO -0.01 -0.09 -0.24 0.42 -0.92 0.00 0.00 175.35 174.51 3kqz s ILE 369 N 1.33 2.21 -0.19 2.17 1.01 0.83 0.11 121.20 128.66 3kqz s ILE 369 Ca 0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 3kqz s ILE 369 Cb -0.15 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3kqz s ILE 369 CO 0.03 0.58 -0.06 0.00 0.00 0.00 0.00 174.94 175.48 3kqz s ALA 370 N -0.63 2.78 -0.23 9.38 0.00 -0.26 -0.46 121.76 132.33 3kqz s ALA 370 Ca 0.10 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 3kqz s ALA 370 Cb -0.10 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 3kqz s ALA 370 CO -0.01 -0.23 0.09 -0.51 0.00 0.00 0.00 175.76 175.10 3kqz s LEU 371 N 1.13 3.68 -0.20 0.00 1.43 0.23 -1.91 118.68 123.04 3kqz s LEU 371 Ca 0.01 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3kqz s LEU 371 Cb -0.15 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.13 3kqz s LEU 371 CO -0.01 0.05 -0.16 -0.69 0.23 0.00 0.00 176.35 175.77 3kqz s VAL 372 N 1.14 2.28 -0.00 -1.59 1.01 -0.30 0.29 120.40 123.23 3kqz s VAL 372 Ca 0.05 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.05 3kqz s VAL 372 Cb -0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3kqz s VAL 372 CO 0.04 0.40 -0.13 -0.83 0.00 0.00 0.00 175.10 174.58 3kqz s GLY 373 N 1.28 1.62 -0.02 4.51 0.00 0.73 -0.56 107.32 114.88 3kqz s GLY 373 Ca 0.02 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.38 3kqz s GLY 373 CO -0.10 -0.92 1.42 1.25 0.00 0.00 0.00 173.10 174.76 3kqz s LYS 374 N -1.21 4.26 -0.54 2.90 2.20 -0.80 -4.06 119.74 122.49 3kqz s LYS 374 Ca 0.14 1.97 0.06 0.00 -0.36 0.00 0.00 55.97 57.79 3kqz s LYS 374 Cb -0.11 -3.64 0.22 0.00 -1.51 0.00 0.00 37.83 32.80 3kqz s LYS 374 CO 0.05 -0.62 0.56 0.41 -0.36 0.00 0.00 175.35 175.39 3kqz n GLY 375 N 3.70 3.63 3.52 5.54 0.00 -1.26 -1.40 105.19 118.92 3kqz n GLY 375 Ca 0.14 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.47 5.21 -0.02 -0.61 -1.09 -1.11 -1.35 121.20 120.77 3kqz s ILE 376 Ca 0.34 -0.22 0.12 0.00 -2.23 0.00 0.00 60.65 58.67 3kqz s ILE 376 Cb 0.10 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3kqz s ILE 376 CO -0.10 -0.15 1.42 0.71 -1.23 0.00 0.00 174.94 175.58 3kqz h THR 377 N 5.57 1.19 -3.33 2.92 1.35 -1.29 -1.68 112.91 117.64 3kqz h THR 377 Ca -0.29 -2.59 -0.28 0.00 -0.55 0.00 0.00 66.41 62.70 3kqz h THR 377 Cb 1.14 2.53 -0.33 0.00 -1.73 0.00 0.00 68.15 69.75 3kqz h THR 377 CO 0.70 0.66 -0.66 0.12 -0.25 0.00 0.00 175.52 176.09 3kqz s PHE 378 N -2.95 -0.09 -0.44 4.73 5.36 -1.26 -4.30 117.98 119.04 3kqz s PHE 378 Ca 0.02 0.37 -0.10 0.00 -0.96 0.00 0.00 56.93 56.27 3kqz s PHE 378 Cb 0.09 -0.18 0.09 0.00 -0.34 0.00 0.00 43.02 42.68 3kqz s PHE 378 CO 0.77 -0.16 0.30 0.34 -1.46 0.00 0.00 175.22 175.01 3kqz s ASP 379 N 1.34 5.69 0.18 6.13 2.15 -1.10 -1.36 116.67 129.69 3kqz s ASP 379 Ca -0.07 -1.63 0.26 0.00 0.43 0.00 0.00 52.55 51.54 3kqz s ASP 379 Cb -0.12 -2.01 0.69 0.00 -0.30 0.00 0.00 42.92 41.18 3kqz s ASP 379 CO -0.05 -0.60 1.65 -1.54 -0.17 0.00 0.00 175.17 174.47 3kqz n SER 380 N 4.93 0.76 0.00 -0.34 3.41 -0.59 -4.78 113.62 117.01 3kqz n SER 380 Ca -0.09 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3kqz n SER 380 Cb 0.42 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3kqz n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqz n GLY 381 N 1.32 0.57 7.00 5.00 0.00 -1.25 -1.12 105.19 116.71 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 -2.00 0.58 0.32 -0.02 0.00 -1.25 -1.19 105.19 101.63 3kqz n GLY 382 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 0.54 0.00 1.61 0.05 -1.82 -0.24 116.97 117.12 3kqz h TYR 383 Ca 0.00 0.01 -0.54 0.00 0.05 0.00 0.00 58.73 58.25 3kqz h TYR 383 Cb 0.00 -0.18 0.03 0.00 1.01 0.00 0.00 36.73 37.58 3kqz h TYR 383 CO 0.00 0.33 2.62 0.09 -1.05 0.00 0.00 178.16 180.15 3kqz n ASN 384 N -4.47 4.09 -4.75 3.88 4.13 -1.24 -4.96 115.26 111.94 3kqz n ASN 384 Ca 0.04 -2.54 -0.42 0.00 1.68 0.00 0.00 54.58 53.35 3kqz n ASN 384 Cb 0.10 -1.19 -0.01 0.00 -1.54 0.00 0.00 39.78 37.13 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 5.70 4.35 -4.56 3.41 7.94 -0.10 -4.38 117.00 129.36 3kqz n LEU 385 Ca 0.50 1.17 -0.24 0.00 -1.11 0.00 0.00 56.01 56.33 3kqz n LEU 385 Cb 0.28 -1.58 -0.06 0.00 0.53 0.00 0.00 43.42 42.58 3kqz n LEU 385 CO 0.87 0.08 1.32 -0.54 -1.11 0.00 0.00 177.39 178.01 3kqz s LYS 386 N -0.99 2.31 0.00 1.96 1.02 -0.28 -4.56 119.74 119.20 3kqz s LYS 386 Ca 0.61 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.43 3kqz s LYS 386 Cb -0.50 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 31.80 3kqz s LYS 386 CO 0.53 -3.70 0.00 0.00 -0.92 0.00 0.00 175.35 171.26 3kqz n ALA 387 N 15.18 1.85 -1.76 5.17 0.00 -1.26 -4.67 120.51 135.02 3kqz n ALA 387 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 3kqz n ALA 387 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz s ALA 388 N -1.82 2.67 0.33 0.00 0.00 -1.26 -4.93 121.76 116.76 3kqz s ALA 388 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3kqz s ALA 388 Cb 0.00 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 3kqz s ALA 388 CO 0.00 -0.82 1.46 -2.30 0.00 0.00 0.00 175.76 174.10 3kqz n PRO 389 N -1.37 2.48 -1.01 0.00 -0.02 -1.26 -1.68 135.00 132.14 3kqz n PRO 389 Ca 0.12 0.88 -0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3kqz n PRO 389 Cb 0.51 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3kqz n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 390 N 1.20 0.35 0.17 -1.23 0.00 -1.26 -4.87 105.19 99.55 3kqz n GLY 390 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.22 1.61 4.64 -1.68 -3.48 113.55 109.42 3kqz h SER 391 Ca -0.01 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 3kqz h SER 391 Cb 0.37 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.62 3kqz h SER 391 CO 0.01 0.00 -0.70 0.23 -0.87 0.00 0.00 176.83 175.51 3kqz n MET 392 N -2.68 -5.20 0.05 4.77 2.81 -1.26 -4.89 117.12 110.72 3kqz n MET 392 Ca 0.04 0.76 0.06 0.00 -1.81 0.00 0.00 57.70 56.74 3kqz n MET 392 Cb 0.43 -5.46 0.48 0.00 -0.71 0.00 0.00 33.22 27.96 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 -1.56 1.06 0.00 2.02 2.10 -1.93 -1.17 117.51 118.04 3kqz h ILE 393 Ca -0.53 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.27 3kqz h ILE 393 Cb 1.30 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3kqz h ILE 393 CO 0.43 0.08 0.00 -0.90 -1.08 0.00 0.00 178.15 176.68 3kqz n ASP 394 N -4.49 0.29 -0.59 2.19 5.75 -1.26 -1.58 116.55 116.86 3kqz n ASP 394 Ca 0.02 0.58 0.12 0.00 -0.01 0.00 0.00 54.79 55.51 3kqz n ASP 394 Cb 0.10 -0.64 0.14 0.00 -1.03 0.00 0.00 41.12 39.69 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 -1.83 2.10 0.00 -2.12 7.94 -0.44 -4.61 117.00 118.03 3kqz n LEU 395 Ca 0.02 -0.72 0.09 0.00 -1.11 0.00 0.00 56.01 54.29 3kqz n LEU 395 Cb 0.15 -0.02 0.55 0.00 0.53 0.00 0.00 43.42 44.64 3kqz n LEU 395 CO 0.13 0.37 0.75 0.23 -1.11 0.00 0.00 177.39 177.77 3kqz n MET 396 N 0.29 0.61 0.29 1.96 2.81 -0.62 -0.90 117.12 121.56 3kqz n MET 396 Ca 0.12 0.00 0.19 0.00 -1.81 0.00 0.00 57.70 56.20 3kqz n MET 396 Cb 0.48 -1.48 0.96 0.00 -0.71 0.00 0.00 33.22 32.46 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 -0.01 0.03 2.10 -1.82 -2.51 116.57 114.36 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 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 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 -2.92 0.01 1.50 0.07 -0.00 -0.08 -3.78 117.46 112.26 3kqz n PHE 398 Ca -0.02 -0.01 0.11 0.00 -0.00 0.00 0.00 57.45 57.54 3kqz n PHE 398 Cb 0.14 0.00 0.64 0.00 -0.00 0.00 0.00 39.48 40.25 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 -0.70 0.00 -0.89 5.98 2.03 -0.96 -0.79 116.55 121.22 3kqz n ASP 399 Ca 0.21 -0.83 0.07 0.00 0.52 0.00 0.00 54.79 54.76 3kqz n ASP 399 Cb 0.15 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.95 3.04 -0.32 -0.67 0.00 -0.63 -2.74 117.12 114.85 3kqz n MET 400 Ca 0.16 -2.50 0.11 0.00 0.00 0.00 0.00 57.70 55.48 3kqz n MET 400 Cb 0.07 -1.60 0.33 0.00 0.00 0.00 0.00 33.22 32.03 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 2.25 0.76 0.07 3.17 0.02 -1.12 -0.68 113.55 118.02 3kqz h SER 401 Ca 0.00 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3kqz h SER 401 Cb 1.13 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3kqz h SER 401 CO 0.13 0.35 -0.04 1.23 -1.14 0.00 0.00 176.83 177.36 3kqz h GLY 402 N 0.78 -0.10 0.42 -3.77 0.00 -1.74 0.18 103.07 98.84 3kqz h GLY 402 Ca 0.51 0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.99 3kqz h GLY 402 CO -0.27 -0.04 0.45 0.00 0.00 0.00 0.00 176.54 176.68 3kqz h ALA 404 N 1.49 0.56 -0.98 0.00 0.00 -0.36 0.24 119.26 120.21 3kqz h ALA 404 Ca 0.42 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3kqz h ALA 404 Cb 0.46 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3kqz h ALA 404 CO -0.29 0.33 0.61 0.00 0.00 0.00 0.00 179.25 179.90 3kqz h ALA 405 N 0.91 1.47 -0.28 0.00 0.00 0.09 0.45 119.26 121.89 3kqz h ALA 405 Ca 0.12 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3kqz h ALA 405 Cb 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kqz h ALA 405 CO 0.02 0.21 -0.42 0.28 0.00 0.00 0.00 179.25 179.34 3kqz h VAL 406 N 0.97 1.29 -0.21 0.00 2.07 -0.21 -0.64 116.25 119.52 3kqz h VAL 406 Ca 0.48 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3kqz h VAL 406 Cb 0.47 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3kqz h VAL 406 CO -0.26 0.52 -0.11 -0.07 0.02 0.00 0.00 177.57 177.67 3kqz h LEU 407 N 0.54 0.46 -0.97 2.57 4.07 0.18 -1.43 115.31 120.73 3kqz h LEU 407 Ca 0.03 -0.42 0.10 0.00 0.08 0.00 0.00 57.88 57.68 3kqz h LEU 407 Cb 1.01 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 42.55 3kqz h LEU 407 CO 0.10 0.77 0.60 1.23 -1.08 0.00 0.00 178.44 180.06 3kqz h GLY 408 N 0.15 1.55 1.63 0.83 0.00 -0.06 -0.56 103.07 106.60 3kqz h GLY 408 Ca 0.05 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3kqz h GLY 408 CO 0.03 0.19 -0.11 0.00 0.00 0.00 0.00 176.54 176.65 3kqz h ALA 410 N 1.46 1.06 -0.21 0.00 0.00 -0.06 0.33 119.26 121.85 3kqz h ALA 410 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kqz h ALA 410 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kqz h ALA 410 CO 0.03 0.63 0.12 -0.92 0.00 0.00 0.00 179.25 179.11 3kqz h TYR 411 N 1.01 0.27 -0.44 0.00 3.20 -0.39 0.26 116.97 120.88 3kqz h TYR 411 Ca 0.22 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3kqz h TYR 411 Cb 0.31 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3kqz h TYR 411 CO 0.02 0.22 0.07 0.00 -1.64 0.00 0.00 178.16 176.84 3kqz h VAL 413 N 0.59 1.30 0.00 0.00 2.07 -0.23 0.65 116.25 120.63 3kqz h VAL 413 Ca 0.13 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3kqz h VAL 413 Cb 0.38 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3kqz h VAL 413 CO 0.01 0.38 0.00 1.23 0.02 0.00 0.00 177.57 179.21 3kqz h GLY 414 N 0.30 0.00 0.45 2.17 0.00 -0.39 0.42 103.07 106.02 3kqz h GLY 414 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.02 3kqz h GLY 414 CO 0.04 0.00 -2.13 2.41 0.00 0.00 0.00 176.54 176.86 3kqz n THR 415 N -3.05 1.71 0.16 4.70 -1.04 -0.61 -4.25 114.28 111.90 3kqz n THR 415 Ca 0.00 -0.63 0.07 0.00 -2.04 0.00 0.00 64.05 61.45 3kqz n THR 415 Cb 0.28 -1.65 0.07 0.00 -1.82 0.00 0.00 70.33 67.21 3kqz n THR 415 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kqz h LEU 416 N 0.05 0.00 -2.80 -4.42 3.38 -0.67 -3.48 115.31 107.37 3kqz h LEU 416 Ca -0.47 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.14 3kqz h LEU 416 Cb 2.00 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.88 3kqz h LEU 416 CO 0.04 0.24 -0.90 0.29 0.09 0.00 0.00 178.44 178.20 3kqz n LYS 417 N -3.08 -1.94 -0.99 1.13 5.02 0.15 -4.94 118.16 113.51 3kqz n LYS 417 Ca 0.02 0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 56.61 3kqz n LYS 417 Cb 0.64 -4.87 0.14 0.00 -0.02 0.00 0.00 35.03 30.91 3kqz n LYS 417 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kqz n PRO 418 N -3.83 0.01 -3.47 1.97 -0.04 -1.26 -5.01 135.00 123.38 3kqz n PRO 418 Ca -0.10 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 3kqz n PRO 418 Cb 0.61 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.66 3kqz n PRO 418 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kqz s GLU 419 N -4.21 3.37 -0.99 0.54 2.02 -1.26 -4.62 118.70 113.55 3kqz s GLU 419 Ca 0.71 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.17 3kqz s GLU 419 Cb -0.28 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3kqz s GLU 419 CO 0.53 0.14 0.00 0.09 0.02 0.00 0.00 175.26 176.04 3kqz n ASN 420 N -1.73 -4.62 -3.94 -0.19 3.02 -1.25 -4.96 115.26 101.60 3kqz n ASN 420 Ca -0.04 0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.62 3kqz n ASN 420 Cb 0.57 -2.94 -0.13 0.00 -0.61 0.00 0.00 39.78 36.67 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 -2.18 0.16 -0.10 2.41 0.11 -1.26 0.66 120.40 120.20 3kqz s VAL 421 Ca 0.00 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 3kqz s VAL 421 Cb 0.00 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 3kqz s VAL 421 CO 0.00 -0.17 -0.14 -0.70 -3.33 0.00 0.00 175.10 170.76 3kqz s GLU 422 N -0.63 2.00 -0.08 1.54 2.12 -0.50 -1.32 118.70 121.82 3kqz s GLU 422 Ca -0.06 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3kqz s GLU 422 Cb -0.04 -1.72 0.02 0.00 0.26 0.00 0.00 34.13 32.64 3kqz s GLU 422 CO -0.00 -0.05 -0.11 0.42 -0.54 0.00 0.00 175.26 174.98 3kqz s ILE 423 N 0.96 1.09 -0.21 -3.70 1.01 0.39 -0.12 121.20 120.62 3kqz s ILE 423 Ca -0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3kqz s ILE 423 Cb -0.15 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3kqz s ILE 423 CO -0.00 0.35 0.02 -1.00 0.00 0.00 0.00 174.94 174.31 3kqz s HIS 424 N 0.96 3.07 -0.24 3.97 3.76 0.39 -0.88 115.29 126.31 3kqz s HIS 424 Ca -0.09 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.32 3kqz s HIS 424 Cb -0.15 -2.12 -0.05 0.00 1.11 0.00 0.00 32.58 31.38 3kqz s HIS 424 CO 0.00 -0.23 0.14 -0.06 -0.85 0.00 0.00 174.74 173.75 3kqz s PHE 425 N 1.08 3.27 -0.05 1.40 0.08 0.64 0.76 117.98 125.17 3kqz s PHE 425 Ca 0.03 0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.24 3kqz s PHE 425 Cb -0.14 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 3kqz s PHE 425 CO 0.02 0.00 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.48 3kqz s LEU 426 N 1.14 1.86 -0.07 -0.37 1.43 0.15 -1.50 118.68 121.31 3kqz s LEU 426 Ca 0.07 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3kqz s LEU 426 Cb -0.14 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.23 3kqz s LEU 426 CO 0.05 0.12 0.15 -0.55 0.23 0.00 0.00 176.35 176.35 3kqz s SER 427 N 0.18 0.16 -0.93 2.29 0.15 -0.68 -0.19 113.70 114.68 3kqz s SER 427 Ca -0.06 0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.69 3kqz s SER 427 Cb -0.12 0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.49 3kqz s SER 427 CO 0.02 -0.18 1.27 0.00 1.20 0.00 0.00 173.24 175.55 3kqz s ALA 428 N 1.54 3.00 -0.05 5.45 0.00 -1.26 0.26 121.76 130.70 3kqz s ALA 428 Ca -0.05 -2.34 -0.16 0.00 0.00 0.00 0.00 51.96 49.41 3kqz s ALA 428 Cb -0.12 -4.26 -0.05 0.00 0.00 0.00 0.00 23.12 18.69 3kqz s ALA 428 CO -0.06 -3.27 0.44 0.08 0.00 0.00 0.00 175.76 172.95 3kqz s VAL 429 N 4.09 5.09 0.03 0.00 1.01 -0.56 -4.05 120.40 126.02 3kqz s VAL 429 Ca 0.38 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 3kqz s VAL 429 Cb -0.04 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.59 3kqz s VAL 429 CO -0.06 0.46 0.14 0.00 0.00 0.00 0.00 175.10 175.65 3kqz s GLU 431 N -2.01 0.67 -0.44 0.00 2.12 -1.26 -0.87 118.70 116.92 3kqz s GLU 431 Ca 0.03 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.85 3kqz s GLU 431 Cb -0.00 -0.61 0.12 0.00 0.26 0.00 0.00 34.13 33.89 3kqz s GLU 431 CO 0.01 0.15 0.20 1.21 -0.54 0.00 0.00 175.26 176.30 3kqz s ASN 432 N -0.76 4.99 0.37 -1.70 2.47 -0.47 -4.21 114.94 115.63 3kqz s ASN 432 Ca -0.00 -2.33 0.07 0.00 0.42 0.00 0.00 52.86 51.01 3kqz s ASN 432 Cb -0.06 -1.75 -0.07 0.00 -1.45 0.00 0.00 41.25 37.92 3kqz s ASN 432 CO 0.00 -0.43 -0.00 -0.04 -3.72 0.00 0.00 177.10 172.92 3kqz s MET 433 N 0.69 1.82 -0.21 0.43 -1.94 -1.26 -1.54 119.30 117.29 3kqz s MET 433 Ca 0.12 -2.00 -0.06 0.00 -1.71 0.00 0.00 55.69 52.04 3kqz s MET 433 Cb -0.22 -1.41 -0.03 0.00 2.01 0.00 0.00 34.83 35.19 3kqz s MET 433 CO -0.05 -0.05 0.02 0.08 -0.01 0.00 0.00 175.02 175.02 3kqz s VAL 434 N -2.87 4.11 0.28 -6.03 1.01 -1.26 -4.56 120.40 111.08 3kqz s VAL 434 Ca 0.34 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 3kqz s VAL 434 Cb 0.08 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kqz s VAL 434 CO 0.17 0.41 0.75 -0.55 0.00 0.00 0.00 175.10 175.88 3kqz s SER 435 N 1.04 -0.22 0.58 3.32 0.15 -1.26 -4.97 113.70 112.34 3kqz s SER 435 Ca 0.03 -0.66 0.33 0.00 0.70 0.00 0.00 55.95 56.35 3kqz s SER 435 Cb -0.14 0.72 1.81 0.00 -1.71 0.00 0.00 66.02 66.70 3kqz s SER 435 CO 0.02 -1.35 2.20 0.07 1.20 0.00 0.00 173.24 175.38 3kqz h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.97 -2.91 116.57 121.21 3kqz h LYS 436 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3kqz h LYS 436 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kqz h LYS 436 CO 0.25 0.04 -0.12 0.09 -2.00 0.00 0.00 179.45 177.71 3kqz n ASN 437 N -3.54 1.99 -4.77 7.07 3.02 -1.26 -4.97 115.26 112.79 3kqz n ASN 437 Ca -0.02 -1.56 -0.34 0.00 -0.03 0.00 0.00 54.58 52.63 3kqz n ASN 437 Cb 0.15 0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kqz s SER 438 N -2.17 5.46 0.57 6.41 0.01 -1.10 -3.41 113.70 119.48 3kqz s SER 438 Ca 0.29 2.12 -0.18 0.00 1.31 0.00 0.00 55.95 59.49 3kqz s SER 438 Cb 0.20 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 3kqz s SER 438 CO 0.40 -1.39 1.12 -0.72 0.41 0.00 0.00 173.24 173.05 3kqz s TYR 439 N -1.98 2.68 0.07 2.43 1.13 -1.26 -4.86 117.35 115.56 3kqz s TYR 439 Ca 0.71 1.55 0.05 0.00 -1.41 0.00 0.00 57.07 57.96 3kqz s TYR 439 Cb -0.23 -3.24 -0.04 0.00 -1.10 0.00 0.00 41.96 37.35 3kqz s TYR 439 CO 0.33 -1.56 -0.05 1.03 -2.51 0.00 0.00 175.55 172.78 3kqz s ARG 440 N -3.53 2.41 0.25 -3.49 0.52 -1.26 -4.61 118.95 109.24 3kqz s ARG 440 Ca 0.71 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 3kqz s ARG 440 Cb -0.22 -2.45 -0.14 0.00 0.52 0.00 0.00 34.95 32.65 3kqz s ARG 440 CO 0.31 0.55 1.21 -2.30 0.02 0.00 0.00 175.30 175.08 3kqz n PRO 441 N 0.92 1.62 0.00 3.54 -0.02 -1.26 -1.47 135.00 138.33 3kqz n PRO 441 Ca -0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3kqz n PRO 441 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.64 2.93 3.75 -1.23 0.00 0.15 -5.01 105.19 107.40 3kqz n GLY 442 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3kqz n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqz s ASP 443 N -1.25 5.12 -0.25 1.61 1.11 -0.54 -4.54 116.67 117.94 3kqz s ASP 443 Ca 0.00 2.73 -0.05 0.00 0.18 0.00 0.00 52.55 55.41 3kqz s ASP 443 Cb 0.00 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 3kqz s ASP 443 CO 0.00 -1.67 0.01 -0.63 1.18 0.00 0.00 175.17 174.06 3kqz s ILE 444 N -1.33 3.69 0.31 0.77 1.01 -1.26 -0.20 121.20 124.20 3kqz s ILE 444 Ca 0.74 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.99 3kqz s ILE 444 Cb -0.40 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 3kqz s ILE 444 CO 0.46 0.31 -0.02 0.27 0.00 0.00 0.00 174.94 175.96 3kqz s ILE 445 N 1.50 2.81 -0.16 2.92 -4.36 0.76 -4.87 121.20 119.81 3kqz s ILE 445 Ca 0.05 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 3kqz s ILE 445 Cb -0.15 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.82 3kqz s ILE 445 CO -0.00 -0.27 -0.17 -0.89 0.24 0.00 0.00 174.94 173.85 3kqz s THR 446 N -2.47 2.51 0.67 8.37 2.01 -1.26 0.86 115.64 126.33 3kqz s THR 446 Ca 0.33 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 3kqz s THR 446 Cb -0.02 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 3kqz s THR 446 CO 0.19 0.52 1.07 0.00 -0.69 0.00 0.00 174.62 175.71 3kqz s ALA 447 N 0.90 2.94 -0.81 7.40 0.00 0.10 -2.17 121.76 130.11 3kqz s ALA 447 Ca -0.04 -0.21 0.12 0.00 0.00 0.00 0.00 51.96 51.83 3kqz s ALA 447 Cb -0.15 -3.06 0.54 0.00 0.00 0.00 0.00 23.12 20.46 3kqz s ALA 447 CO -0.02 -0.98 1.37 -1.13 0.00 0.00 0.00 175.76 175.00 3kqz n SER 448 N -2.93 0.18 -0.78 0.00 3.41 -1.01 0.02 113.62 112.52 3kqz n SER 448 Ca 0.07 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 3kqz n SER 448 Cb 0.56 -0.59 0.27 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.72 2.29 0.00 4.04 0.23 -1.26 -4.92 115.26 113.92 3kqz n ASN 449 Ca 0.01 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 3kqz n ASN 449 Cb 0.10 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqz n GLY 450 N 1.23 3.23 3.67 4.83 0.00 0.10 -5.02 105.19 113.23 3kqz n GLY 450 Ca 0.16 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.71 3kqz n GLY 450 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqz n LYS 451 N -2.00 2.20 -3.19 1.61 5.02 -1.25 -4.69 118.16 115.86 3kqz n LYS 451 Ca 0.00 0.80 -0.39 0.00 -2.02 0.00 0.00 58.31 56.70 3kqz n LYS 451 Cb 0.00 -2.61 -0.05 0.00 -0.02 0.00 0.00 35.03 32.35 3kqz n LYS 451 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kqz s THR 452 N 2.40 5.11 -0.10 -0.18 2.01 -1.26 -0.73 115.64 122.90 3kqz s THR 452 Ca 0.85 1.19 0.03 0.00 0.31 0.00 0.00 61.69 64.07 3kqz s THR 452 Cb -0.67 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 67.92 3kqz s THR 452 CO 0.44 0.30 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.84 3kqz s ILE 453 N 0.65 1.79 -0.35 1.82 1.01 0.25 -1.99 121.20 124.38 3kqz s ILE 453 Ca 0.31 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 3kqz s ILE 453 Cb -0.16 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 3kqz s ILE 453 CO 0.14 0.50 0.55 -0.70 0.00 0.00 0.00 174.94 175.43 3kqz s GLU 454 N 0.61 3.63 -0.12 2.79 2.12 -0.41 -0.17 118.70 127.14 3kqz s GLU 454 Ca -0.14 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 3kqz s GLU 454 Cb -0.17 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.39 3kqz s GLU 454 CO 0.04 -0.68 1.25 0.08 -0.54 0.00 0.00 175.26 175.41 3kqz s VAL 455 N 2.49 4.25 -0.38 3.70 1.01 0.73 -1.29 120.40 130.91 3kqz s VAL 455 Ca 0.20 1.54 0.12 0.00 0.00 0.00 0.00 61.98 63.84 3kqz s VAL 455 Cb -0.15 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.09 3kqz s VAL 455 CO 0.14 -0.08 0.42 0.61 0.00 0.00 0.00 175.10 176.19 3kqz n GLY 456 N 3.53 -0.26 3.42 4.51 0.00 -1.26 0.31 105.19 115.43 3kqz n GLY 456 Ca 0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.54 -0.61 0.47 1.61 3.84 -1.26 -4.76 114.94 111.70 3kqz s ASN 457 Ca 0.02 1.22 0.32 0.00 0.21 0.00 0.00 52.86 54.62 3kqz s ASN 457 Cb 0.09 1.68 1.46 0.00 -0.55 0.00 0.00 41.25 43.93 3kqz s ASN 457 CO 0.49 -0.23 1.96 0.71 -2.79 0.00 0.00 177.10 177.24 3kqz h THR 458 N 6.05 0.00 0.00 -5.21 1.35 -1.89 -2.18 112.91 111.04 3kqz h THR 458 Ca -0.18 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3kqz h THR 458 Cb 1.11 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3kqz h THR 458 CO 0.12 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.72 3kqz n ASP 459 N -2.78 0.00 -2.37 5.36 2.03 -0.33 -3.02 116.55 115.44 3kqz n ASP 459 Ca 0.00 -0.31 -0.32 0.00 0.52 0.00 0.00 54.79 54.67 3kqz n ASP 459 Cb 0.21 -0.17 0.05 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.17 5.91 0.16 -1.67 0.00 -0.82 -4.59 120.51 118.33 3kqz n ALA 460 Ca 0.13 -3.76 0.01 0.00 0.00 0.00 0.00 53.44 49.82 3kqz n ALA 460 Cb 0.14 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.52 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 2.29 0.00 -0.53 0.00 9.09 -1.75 -3.32 114.58 120.36 3kqz h GLU 461 Ca 0.51 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.96 3kqz h GLU 461 Cb 0.87 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.92 3kqz h GLU 461 CO 1.28 0.52 0.28 0.78 0.05 0.00 0.00 179.01 181.92 3kqz h GLY 462 N 1.61 0.75 2.00 1.06 0.00 -1.90 -1.44 103.07 105.15 3kqz h GLY 462 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3kqz h GLY 462 CO 0.07 0.14 -0.17 0.07 0.00 0.00 0.00 176.54 176.65 3kqz h ARG 463 N 0.55 0.00 0.00 4.80 0.11 -1.94 -0.13 114.38 117.78 3kqz h ARG 463 Ca 0.23 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.31 3kqz h ARG 463 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3kqz h ARG 463 CO -0.15 0.17 -0.00 -0.07 0.10 0.00 0.00 179.97 180.02 3kqz h LEU 464 N 0.00 -0.00 -1.16 0.08 3.38 -1.43 -0.89 115.31 115.28 3kqz h LEU 464 Ca -0.00 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 3kqz h LEU 464 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3kqz h LEU 464 CO 0.02 0.62 0.22 0.71 0.09 0.00 0.00 178.44 180.10 3kqz h THR 465 N -0.62 1.20 0.00 0.22 1.35 -1.18 -2.70 112.91 111.18 3kqz h THR 465 Ca -0.00 -0.63 -0.10 0.00 -0.55 0.00 0.00 66.41 65.13 3kqz h THR 465 Cb 0.62 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 3kqz h THR 465 CO 0.00 0.25 -0.48 -0.07 -0.25 0.00 0.00 175.52 174.97 3kqz h LEU 466 N 0.80 0.00 -0.24 3.87 3.38 -0.99 -1.78 115.31 120.34 3kqz h LEU 466 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3kqz h LEU 466 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kqz h LEU 466 CO -0.02 0.48 0.09 0.00 0.09 0.00 0.00 178.44 179.09 3kqz h ALA 467 N 1.52 0.32 -0.50 1.53 0.00 -0.82 0.39 119.26 121.70 3kqz h ALA 467 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3kqz h ALA 467 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3kqz h ALA 467 CO 0.06 -0.09 0.01 -0.44 0.00 0.00 0.00 179.25 178.80 3kqz h ASP 468 N 0.24 0.85 -0.66 0.00 3.32 -1.50 -1.38 116.42 117.29 3kqz h ASP 468 Ca 0.08 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.88 3kqz h ASP 468 Cb 0.19 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 3kqz h ASP 468 CO -0.01 0.94 0.38 0.00 -1.72 0.00 0.00 179.24 178.83 3kqz h ALA 469 N 0.94 0.87 -0.11 3.45 0.00 -1.00 0.30 119.26 123.72 3kqz h ALA 469 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kqz h ALA 469 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kqz h ALA 469 CO 0.02 0.08 0.01 -0.07 0.00 0.00 0.00 179.25 179.29 3kqz h LEU 470 N 0.71 -0.01 -0.31 0.00 3.38 -0.09 0.49 115.31 119.48 3kqz h LEU 470 Ca 0.28 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.31 3kqz h LEU 470 Cb 0.13 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3kqz h LEU 470 CO -0.16 0.01 0.07 0.58 0.09 0.00 0.00 178.44 179.04 3kqz h VAL 471 N 0.05 0.87 0.16 1.22 2.07 -0.96 0.10 116.25 119.76 3kqz h VAL 471 Ca 0.05 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3kqz h VAL 471 Cb 0.05 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3kqz h VAL 471 CO -0.07 0.04 -0.34 0.22 0.02 0.00 0.00 177.57 177.43 3kqz h TYR 472 N 0.19 -0.94 -0.77 1.57 3.20 0.06 -2.47 116.97 117.82 3kqz h TYR 472 Ca 0.15 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.15 3kqz h TYR 472 Cb 0.15 0.39 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 3kqz h TYR 472 CO -0.16 -0.46 0.39 0.00 -1.64 0.00 0.00 178.16 176.29 3kqz h ALA 473 N -0.01 1.10 -0.29 1.82 0.00 0.20 -2.08 119.26 120.00 3kqz h ALA 473 Ca 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 473 Cb 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kqz h ALA 473 CO -0.18 -0.05 -0.07 1.49 0.00 0.00 0.00 179.25 180.45 3kqz h GLU 474 N 0.63 0.46 0.00 0.00 4.81 -0.56 -1.25 114.58 118.66 3kqz h GLU 474 Ca 0.39 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3kqz h GLU 474 Cb 0.46 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3kqz h GLU 474 CO -0.30 0.54 -0.06 0.87 -0.73 0.00 0.00 179.01 179.32 3kqz h LYS 475 N 0.43 0.00 0.00 1.92 1.57 -0.91 -1.52 116.57 118.06 3kqz h LYS 475 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kqz h LYS 475 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3kqz h LYS 475 CO 0.02 0.06 0.00 -0.07 -0.57 0.00 0.00 179.45 178.89 3kqz h LEU 476 N 0.00 0.00 -2.35 2.94 3.38 -1.14 -3.47 115.31 114.66 3kqz h LEU 476 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3kqz h LEU 476 Cb 0.22 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.06 3kqz h LEU 476 CO 0.01 0.00 -0.40 0.61 0.09 0.00 0.00 178.44 178.75 3kqz n GLY 477 N -0.33 -0.03 4.00 0.83 0.00 -0.57 -5.04 105.19 104.05 3kqz n GLY 477 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.18 3.17 0.01 1.61 -7.23 -1.26 -4.92 120.40 108.60 3kqz s VAL 478 Ca 0.13 -0.95 0.11 0.00 -1.81 0.00 0.00 61.98 59.45 3kqz s VAL 478 Cb -0.02 -3.08 -0.22 0.00 0.56 0.00 0.00 36.38 33.62 3kqz s VAL 478 CO 0.35 -0.03 0.87 0.44 -0.31 0.00 0.00 175.10 176.42 3kqz h ASP 479 N 0.62 0.00 -3.59 4.85 3.32 0.37 -3.47 116.42 118.52 3kqz h ASP 479 Ca -0.41 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.36 3kqz h ASP 479 Cb 1.28 -0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.51 3kqz h ASP 479 CO 0.47 1.01 -0.70 -0.31 -1.72 0.00 0.00 179.24 177.99 3kqz s TYR 480 N -2.63 -0.01 -0.17 4.55 2.02 -1.10 -3.98 117.35 116.03 3kqz s TYR 480 Ca -0.03 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 3kqz s TYR 480 Cb 0.09 -0.13 0.01 0.00 -0.40 0.00 0.00 41.96 41.52 3kqz s TYR 480 CO 0.82 -0.07 -0.18 0.42 -1.57 0.00 0.00 175.55 174.97 3kqz s ILE 481 N 0.71 2.29 -0.18 2.71 1.01 -0.59 -1.11 121.20 126.04 3kqz s ILE 481 Ca -0.06 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3kqz s ILE 481 Cb -0.08 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.45 3kqz s ILE 481 CO -0.02 0.53 -0.19 -0.69 0.00 0.00 0.00 174.94 174.56 3kqz s VAL 482 N 1.07 2.12 0.01 2.92 1.01 -0.80 -1.13 120.40 125.62 3kqz s VAL 482 Ca -0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3kqz s VAL 482 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3kqz s VAL 482 CO -0.06 0.54 0.12 1.51 0.00 0.00 0.00 175.10 177.20 3kqz s ASP 483 N 1.25 5.88 -0.04 3.32 1.47 0.04 -1.15 116.67 127.45 3kqz s ASP 483 Ca 0.04 0.18 0.04 0.00 1.18 0.00 0.00 52.55 53.99 3kqz s ASP 483 Cb -0.13 -1.73 -0.00 0.00 -0.34 0.00 0.00 42.92 40.72 3kqz s ASP 483 CO -0.11 0.24 -0.15 -0.51 0.68 0.00 0.00 175.17 175.32 3kqz s ILE 484 N -1.29 1.29 -0.27 2.11 2.07 0.28 0.53 121.20 125.92 3kqz s ILE 484 Ca 0.26 -0.64 -0.23 0.00 -1.41 0.00 0.00 60.65 58.64 3kqz s ILE 484 Cb -0.12 -1.12 0.08 0.00 0.13 0.00 0.00 42.46 41.42 3kqz s ILE 484 CO 0.18 0.38 0.73 0.00 -1.91 0.00 0.00 174.94 174.32 3kqz s ALA 485 N 0.10 -1.82 -1.22 1.50 0.00 0.05 -1.91 121.76 118.47 3kqz s ALA 485 Ca -0.04 2.12 -0.17 0.00 0.00 0.00 0.00 51.96 53.86 3kqz s ALA 485 Cb -0.11 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3kqz s ALA 485 CO 0.02 -0.34 2.06 0.25 0.00 0.00 0.00 175.76 177.75 3kqz n THR 486 N 3.07 2.93 -0.03 0.00 -2.24 -1.26 0.03 114.28 116.77 3kqz n THR 486 Ca -0.15 -2.66 -0.21 0.00 -2.27 0.00 0.00 64.05 58.76 3kqz n THR 486 Cb 0.56 -2.46 -0.13 0.00 -2.10 0.00 0.00 70.33 66.20 3kqz n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqz h LEU 487 N 11.92 0.24 -7.71 3.22 5.85 -1.90 -3.44 115.31 123.50 3kqz h LEU 487 Ca 0.49 -0.77 -0.36 0.00 0.84 0.00 0.00 57.88 58.08 3kqz h LEU 487 Cb 0.69 -0.08 -0.33 0.00 0.37 0.00 0.00 40.66 41.32 3kqz h LEU 487 CO 1.82 1.60 -0.76 0.42 -0.34 0.00 0.00 178.44 181.18 3kqz s THR 488 N -2.44 0.35 0.45 1.05 -4.23 -1.26 -4.95 115.64 104.61 3kqz s THR 488 Ca -0.23 -0.04 0.15 0.00 -1.18 0.00 0.00 61.69 60.38 3kqz s THR 488 Cb 0.05 -0.39 0.33 0.00 1.34 0.00 0.00 72.50 73.82 3kqz s THR 488 CO 0.70 0.17 2.01 1.23 -0.54 0.00 0.00 174.62 178.19 3kqz h GLY 489 N 7.02 0.44 -0.07 3.99 0.00 -1.94 -2.61 103.07 109.90 3kqz h GLY 489 Ca -0.39 -0.13 0.29 0.00 0.00 0.00 0.00 47.33 47.10 3kqz h GLY 489 CO 0.48 0.09 0.73 0.00 0.00 0.00 0.00 176.54 177.84 3kqz h ALA 490 N 1.74 2.84 -0.87 3.60 0.00 -1.95 -1.42 119.26 123.20 3kqz h ALA 490 Ca 0.23 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.30 3kqz h ALA 490 Cb 0.49 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3kqz h ALA 490 CO -0.05 -1.15 0.57 0.52 0.00 0.00 0.00 179.25 179.14 3kqz h MET 491 N 0.08 0.46 -0.03 0.00 2.86 -1.84 0.64 114.93 117.09 3kqz h MET 491 Ca 0.51 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 58.13 3kqz h MET 491 Cb 1.87 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.43 3kqz h MET 491 CO -0.06 0.30 0.12 -0.07 1.06 0.00 0.00 176.91 178.27 3kqz h LEU 492 N 0.47 0.00 0.00 1.22 3.38 -1.45 0.20 115.31 119.13 3kqz h LEU 492 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3kqz h LEU 492 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3kqz h LEU 492 CO -0.18 0.00 -1.14 -1.22 0.09 0.00 0.00 178.44 175.99 3kqz n TYR 493 N -3.21 0.00 -0.05 1.13 4.02 0.22 -3.77 117.16 115.50 3kqz n TYR 493 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.83 3kqz n TYR 493 Cb 0.20 -0.16 -0.01 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.65 1.07 -0.01 7.72 3.41 -0.64 -4.85 113.62 118.67 3kqz n SER 494 Ca 0.00 0.25 0.09 0.00 -0.26 0.00 0.00 58.87 58.96 3kqz n SER 494 Cb 0.29 -0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 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 -3.59 0.05 0.00 1.04 4.77 -0.31 -5.08 117.00 113.88 3kqz n LEU 495 Ca -0.07 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3kqz n LEU 495 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3kqz n LEU 495 CO 0.10 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 3kqz n GLY 496 N 1.43 0.06 0.45 -0.72 0.00 0.55 -4.07 105.19 102.90 3kqz n GLY 496 Ca -0.03 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.12 2.61 -2.24 -1.26 -4.21 114.28 109.06 3kqz n THR 497 Ca 0.00 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.37 3kqz n THR 497 Cb 0.00 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.11 2.11 -4.37 3.42 7.64 -1.26 -4.25 113.62 116.80 3kqz n SER 498 Ca 0.11 -0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.53 3kqz n SER 498 Cb 0.44 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 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 -2.49 2.88 0.85 1.43 4.12 -1.26 -4.47 117.35 118.41 3kqz s TYR 499 Ca -0.33 -0.67 -0.12 0.00 0.02 0.00 0.00 57.07 55.97 3kqz s TYR 499 Cb 0.09 -1.92 0.10 0.00 -1.52 0.00 0.00 41.96 38.70 3kqz s TYR 499 CO 0.56 -0.27 1.15 0.00 0.02 0.00 0.00 175.55 177.01 3kqz s ALA 500 N 0.62 2.25 -0.09 3.71 0.00 -0.32 -4.57 121.76 123.37 3kqz s ALA 500 Ca -0.06 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 3kqz s ALA 500 Cb -0.15 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3kqz s ALA 500 CO 0.03 -1.92 -0.07 0.20 0.00 0.00 0.00 175.76 174.00 3kqz s GLY 501 N -4.28 1.68 -0.08 0.00 0.00 -1.13 -0.09 107.32 103.42 3kqz s GLY 501 Ca 0.62 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 44.49 3kqz s GLY 501 CO 0.51 -0.52 -0.15 0.54 0.00 0.00 0.00 173.10 173.49 3kqz s VAL 502 N -0.50 2.96 0.20 1.40 0.11 0.62 -0.52 120.40 124.68 3kqz s VAL 502 Ca 0.07 -0.74 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 3kqz s VAL 502 Cb -0.12 -2.18 -0.05 0.00 -1.53 0.00 0.00 36.38 32.50 3kqz s VAL 502 CO 0.02 0.57 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.93 3kqz s PHE 503 N -0.29 1.50 -1.11 1.54 0.08 -0.11 -0.88 117.98 118.71 3kqz s PHE 503 Ca 0.02 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.27 3kqz s PHE 503 Cb -0.13 -0.81 0.00 0.00 -0.57 0.00 0.00 43.02 41.51 3kqz s PHE 503 CO 0.03 0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.64 3kqz n GLY 504 N -0.34 -1.44 0.62 4.36 0.00 -1.26 -0.78 105.19 106.34 3kqz n GLY 504 Ca -0.07 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 0.67 2.55 -3.65 1.61 0.23 -0.23 -4.80 115.26 111.65 3kqz n ASN 505 Ca 0.00 -1.76 -0.13 0.00 -0.53 0.00 0.00 54.58 52.16 3kqz n ASN 505 Cb 0.00 -0.13 -0.12 0.00 -2.08 0.00 0.00 39.78 37.44 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 -1.03 0.29 0.12 0.53 3.84 -1.26 -4.90 114.94 112.53 3kqz s ASN 506 Ca 0.21 0.62 -0.15 0.00 0.21 0.00 0.00 52.86 53.74 3kqz s ASN 506 Cb 0.12 0.81 -0.03 0.00 -0.55 0.00 0.00 41.25 41.60 3kqz s ASN 506 CO 0.17 -0.24 1.58 -0.08 -2.79 0.00 0.00 177.10 175.74 3kqz h GLU 507 N 8.27 0.64 -0.42 0.43 4.22 -1.96 -1.94 114.58 123.82 3kqz h GLU 507 Ca -0.15 -0.19 0.05 0.00 0.08 0.00 0.00 59.36 59.16 3kqz h GLU 507 Cb 1.11 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 3kqz h GLU 507 CO 0.14 0.73 0.15 0.93 -2.18 0.00 0.00 179.01 178.78 3kqz h GLU 508 N 0.47 0.31 -0.40 1.92 5.08 -1.98 0.89 114.58 120.87 3kqz h GLU 508 Ca 0.11 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3kqz h GLU 508 Cb 0.41 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3kqz h GLU 508 CO 0.01 0.21 0.10 1.25 -1.00 0.00 0.00 179.01 179.58 3kqz h LEU 509 N 0.32 0.61 -0.44 1.33 5.85 -1.91 -0.24 115.31 120.85 3kqz h LEU 509 Ca 0.19 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3kqz h LEU 509 Cb 0.17 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3kqz h LEU 509 CO -0.19 0.68 0.10 0.40 -0.34 0.00 0.00 178.44 179.09 3kqz h ILE 510 N 0.51 0.78 -0.52 4.05 2.04 -1.07 -1.29 117.51 122.02 3kqz h ILE 510 Ca 0.13 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3kqz h ILE 510 Cb 0.31 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3kqz h ILE 510 CO 0.00 0.04 0.27 0.78 0.00 0.00 0.00 178.15 179.25 3kqz h ASN 511 N 0.24 0.64 -0.72 1.72 2.35 -0.28 0.11 115.58 119.63 3kqz h ASN 511 Ca 0.21 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3kqz h ASN 511 Cb 0.26 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3kqz h ASN 511 CO -0.27 0.53 0.20 0.11 -1.65 0.00 0.00 177.43 176.36 3kqz h LYS 512 N 0.73 1.14 -0.57 0.81 1.57 -0.45 -1.54 116.57 118.25 3kqz h LYS 512 Ca 0.19 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3kqz h LYS 512 Cb 0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3kqz h LYS 512 CO -0.03 0.99 0.15 0.82 -0.57 0.00 0.00 179.45 180.81 3kqz h ILE 513 N 1.08 1.23 -0.30 1.86 1.08 -0.09 -1.47 117.51 120.91 3kqz h ILE 513 Ca 0.23 -0.82 -0.16 0.00 -0.39 0.00 0.00 64.86 63.72 3kqz h ILE 513 Cb 0.34 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 3kqz h ILE 513 CO -0.00 0.31 -0.44 -0.07 -0.69 0.00 0.00 178.15 177.26 3kqz h LEU 514 N 0.85 0.84 -0.66 1.44 3.38 -0.57 0.22 115.31 120.80 3kqz h LEU 514 Ca 0.19 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3kqz h LEU 514 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3kqz h LEU 514 CO -0.00 1.15 0.27 -0.61 0.09 0.00 0.00 178.44 179.34 3kqz h GLN 515 N 0.62 0.99 -0.20 1.13 5.75 -1.18 -1.13 115.11 121.09 3kqz h GLN 515 Ca 0.04 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 3kqz h GLN 515 Cb 1.01 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 3kqz h GLN 515 CO 0.10 0.83 -0.09 0.77 -2.65 0.00 0.00 178.83 177.78 3kqz h SER 516 N 0.94 0.29 -0.33 -0.69 0.02 -0.70 -0.99 113.55 112.09 3kqz h SER 516 Ca 0.22 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 3kqz h SER 516 Cb 0.20 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3kqz h SER 516 CO -0.02 0.42 -0.13 -1.28 -1.14 0.00 0.00 176.83 174.68 3kqz h SER 517 N 0.29 0.68 -0.40 3.07 0.87 0.05 0.14 113.55 118.25 3kqz h SER 517 Ca 0.06 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3kqz h SER 517 Cb 0.35 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3kqz h SER 517 CO 0.02 0.92 0.26 0.11 -0.53 0.00 0.00 176.83 177.61 3kqz h LYS 518 N 0.44 0.54 0.00 2.24 1.79 -0.13 0.19 116.57 121.64 3kqz h LYS 518 Ca 0.08 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 3kqz h LYS 518 Cb 0.65 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 3kqz h LYS 518 CO 0.04 0.38 -0.71 1.79 -1.08 0.00 0.00 179.45 179.87 3kqz h THR 519 N 0.54 0.60 0.00 -0.16 1.35 -1.11 -3.00 112.91 111.13 3kqz h THR 519 Ca 0.15 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3kqz h THR 519 Cb -0.04 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3kqz h THR 519 CO -0.03 0.34 -0.51 0.77 -0.25 0.00 0.00 175.52 175.85 3kqz h SER 520 N 0.00 0.00 -0.67 5.36 4.64 -0.67 -3.48 113.55 118.73 3kqz h SER 520 Ca -0.04 -0.08 -0.29 0.00 -0.47 0.00 0.00 61.79 60.91 3kqz h SER 520 Cb 1.36 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.33 3kqz h SER 520 CO 0.05 0.04 -0.26 0.59 -0.87 0.00 0.00 176.83 176.37 3kqz n ASN 521 N -2.50 -4.86 -4.43 4.97 3.02 0.66 -4.82 115.26 107.31 3kqz n ASN 521 Ca 0.03 0.35 -0.44 0.00 -0.03 0.00 0.00 54.58 54.49 3kqz n ASN 521 Cb 0.49 -3.60 -0.09 0.00 -0.61 0.00 0.00 39.78 35.97 3kqz n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqz s GLU 522 N -3.15 2.98 0.16 3.52 2.02 -1.15 -5.00 118.70 118.07 3kqz s GLU 522 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 3kqz s GLU 522 Cb 0.00 -4.04 -0.07 0.00 0.10 0.00 0.00 34.13 30.12 3kqz s GLU 522 CO 0.00 -0.86 1.01 -1.25 0.02 0.00 0.00 175.26 174.17 3kqz s PRO 523 N 1.68 4.69 0.03 0.39 0.04 -1.26 -4.50 135.00 136.07 3kqz s PRO 523 Ca 0.05 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.66 3kqz s PRO 523 Cb -0.21 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 3kqz s PRO 523 CO 0.09 0.22 -0.07 0.08 0.04 0.00 0.00 177.00 177.36 3kqz s VAL 524 N -0.31 0.49 -0.01 -0.36 1.01 -1.26 -1.17 120.40 118.78 3kqz s VAL 524 Ca 0.47 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3kqz s VAL 524 Cb -0.26 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 3kqz s VAL 524 CO 0.32 -0.27 -0.13 0.86 0.00 0.00 0.00 175.10 175.88 3kqz s TRP 525 N -1.09 1.14 -0.09 5.22 -0.11 0.87 -4.89 118.94 119.98 3kqz s TRP 525 Ca -0.08 -0.22 -0.29 0.00 1.22 0.00 0.00 56.10 56.74 3kqz s TRP 525 Cb -0.08 -0.73 -0.02 0.00 -1.50 0.00 0.00 33.47 31.14 3kqz s TRP 525 CO 0.00 -0.02 0.97 -0.46 -4.62 0.00 0.00 176.95 172.82 3kqz s TRP 526 N -0.29 3.53 0.14 5.86 -0.00 -1.26 -0.27 118.94 126.65 3kqz s TRP 526 Ca 0.05 1.56 0.10 0.00 -0.00 0.00 0.00 56.10 57.81 3kqz s TRP 526 Cb -0.05 -3.14 -0.04 0.00 -0.00 0.00 0.00 33.47 30.24 3kqz s TRP 526 CO -0.00 -0.17 -0.24 -0.51 -0.00 0.00 0.00 176.95 176.03 3kqz s LEU 527 N 1.78 2.35 0.35 5.86 1.43 -0.05 -4.89 118.68 125.51 3kqz s LEU 527 Ca 0.47 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3kqz s LEU 527 Cb -0.19 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 3kqz s LEU 527 CO 0.19 0.11 0.66 -2.16 0.23 0.00 0.00 176.35 175.38 3kqz s PRO 528 N -2.25 3.68 -0.46 1.29 0.04 -1.26 -4.36 135.00 131.68 3kqz s PRO 528 Ca 0.14 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.22 3kqz s PRO 528 Cb -0.09 -2.53 0.07 0.00 0.04 0.00 0.00 34.50 31.99 3kqz s PRO 528 CO 0.06 0.08 0.37 0.42 0.04 0.00 0.00 177.00 177.98 3kqz s ILE 529 N -2.26 5.17 -0.49 0.56 1.01 -1.26 -4.79 121.20 119.14 3kqz s ILE 529 Ca 0.47 -1.03 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3kqz s ILE 529 Cb -0.10 -4.06 0.04 0.00 0.01 0.00 0.00 42.46 38.34 3kqz s ILE 529 CO 0.32 -0.54 0.79 -0.63 0.00 0.00 0.00 174.94 174.88 3kqz s ILE 530 N 1.63 4.62 0.01 2.92 1.01 -1.26 -4.90 121.20 125.24 3kqz s ILE 530 Ca 0.04 0.18 0.29 0.00 0.00 0.00 0.00 60.65 61.16 3kqz s ILE 530 Cb -0.23 -4.38 0.30 0.00 0.01 0.00 0.00 42.46 38.16 3kqz s ILE 530 CO 0.07 -0.85 1.90 0.78 0.00 0.00 0.00 174.94 176.83 3kqz h ASN 531 N 9.08 0.00 0.69 3.58 2.35 -1.99 -2.11 115.58 127.18 3kqz h ASN 531 Ca -0.26 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 3kqz h ASN 531 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 3kqz h ASN 531 CO 1.00 0.00 -0.25 -0.08 -1.65 0.00 0.00 177.43 176.44 3kqz h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.04 -2.17 114.58 115.99 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 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kqz h GLU 532 CO 0.00 0.25 0.00 0.66 -0.73 0.00 0.00 179.01 179.19 3kqz n TYR 533 N -3.57 0.90 -0.25 0.92 0.53 -0.79 -4.15 117.16 110.74 3kqz n TYR 533 Ca -0.01 0.28 0.03 0.00 -1.02 0.00 0.00 57.90 57.18 3kqz n TYR 533 Cb 0.40 -0.96 0.15 0.00 -1.03 0.00 0.00 39.34 37.90 3kqz n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqz h ARG 534 N 0.00 0.56 -0.73 -0.72 9.65 -1.53 -0.82 114.38 120.80 3kqz h ARG 534 Ca 0.00 -0.03 0.21 0.00 -1.10 0.00 0.00 59.98 59.06 3kqz h ARG 534 Cb 0.64 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 3kqz h ARG 534 CO 0.00 0.37 0.53 0.00 2.80 0.00 0.00 179.97 183.67 3kqz h ALA 535 N 1.46 2.68 0.00 2.80 0.00 -1.79 -0.11 119.26 124.31 3kqz h ALA 535 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3kqz h ALA 535 Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kqz h ALA 535 CO -0.30 -0.91 0.00 0.00 0.00 0.00 0.00 179.25 178.04 3kqz h THR 536 N 0.00 0.00 -0.40 0.00 1.03 -1.42 -1.85 112.91 110.26 3kqz h THR 536 Ca 0.35 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.62 3kqz h THR 536 Cb 1.40 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 3kqz h THR 536 CO -0.00 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.69 3kqz n LEU 537 N -3.01 2.85 -4.56 0.00 4.77 -0.05 -4.62 117.00 112.37 3kqz n LEU 537 Ca -0.02 -1.30 -0.32 0.00 -0.03 0.00 0.00 56.01 54.34 3kqz n LEU 537 Cb 0.13 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3kqz n LEU 537 CO 0.21 0.65 1.41 0.20 -1.33 0.00 0.00 177.39 178.53 3kqz s ASN 538 N -1.32 5.61 0.40 -1.43 0.01 -0.70 0.61 114.94 118.12 3kqz s ASN 538 Ca 0.37 -1.00 -0.27 0.00 -0.71 0.00 0.00 52.86 51.25 3kqz s ASN 538 Cb 0.20 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 39.21 3kqz s ASN 538 CO 0.28 -2.33 1.37 -0.55 -1.51 0.00 0.00 177.10 174.36 3kqz s SER 539 N 6.91 6.27 0.49 -1.22 0.15 -1.26 -4.89 113.70 120.15 3kqz s SER 539 Ca 0.62 2.80 0.22 0.00 0.70 0.00 0.00 55.95 60.29 3kqz s SER 539 Cb -0.04 -2.65 1.26 0.00 -1.71 0.00 0.00 66.02 62.88 3kqz s SER 539 CO -0.03 -0.90 2.04 0.50 1.20 0.00 0.00 173.24 176.05 3kqz h LYS 540 N 2.74 0.00 0.00 5.44 1.63 -1.97 -3.39 116.57 121.02 3kqz h LYS 540 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 3kqz h LYS 540 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3kqz h LYS 540 CO 0.63 0.15 -0.85 0.66 -3.45 0.00 0.00 179.45 176.59 3kqz n TYR 541 N -3.94 0.00 -2.27 1.91 4.01 -1.26 -5.06 117.16 110.55 3kqz n TYR 541 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 3kqz n TYR 541 Cb 0.24 0.03 0.12 0.00 -0.31 0.00 0.00 39.34 39.43 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 -1.92 3.07 0.21 -0.72 0.00 -1.26 -5.00 121.76 116.14 3kqz s ALA 542 Ca 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.53 3kqz s ALA 542 Cb 0.00 -2.42 0.16 0.00 0.00 0.00 0.00 23.12 20.86 3kqz s ALA 542 CO 0.00 -1.74 1.81 -0.44 0.00 0.00 0.00 175.76 175.39 3kqz h ASP 543 N -0.91 1.01 -4.65 0.00 3.32 -1.71 -3.39 116.42 110.08 3kqz h ASP 543 Ca -0.41 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.39 3kqz h ASP 543 Cb 1.27 -0.26 -0.22 0.00 0.22 0.00 0.00 39.33 40.34 3kqz h ASP 543 CO 0.45 0.85 -0.32 -0.51 -1.72 0.00 0.00 179.24 177.98 3kqz s ILE 544 N -5.75 0.04 0.35 0.35 2.07 -0.90 -4.54 121.20 112.82 3kqz s ILE 544 Ca -0.13 -0.36 -0.25 0.00 -1.41 0.00 0.00 60.65 58.50 3kqz s ILE 544 Cb 0.15 -0.54 -0.10 0.00 0.13 0.00 0.00 42.46 42.10 3kqz s ILE 544 CO 0.82 -0.20 0.97 0.20 -1.91 0.00 0.00 174.94 174.82 3kqz s ASN 545 N -0.90 7.18 0.03 4.50 0.01 0.20 -1.29 114.94 124.68 3kqz s ASN 545 Ca -0.10 1.87 -0.20 0.00 -0.71 0.00 0.00 52.86 53.72 3kqz s ASN 545 Cb -0.05 -2.58 -0.15 0.00 0.41 0.00 0.00 41.25 38.88 3kqz s ASN 545 CO 0.03 -0.19 1.30 -0.61 -1.51 0.00 0.00 177.10 176.12 3kqz h GLN 546 N 2.91 0.37 -5.41 -0.60 4.15 -1.51 -3.46 115.11 111.56 3kqz h GLN 546 Ca -0.47 -0.22 -0.56 0.00 0.77 0.00 0.00 58.65 58.16 3kqz h GLN 546 Cb 1.19 0.02 -0.13 0.00 0.21 0.00 0.00 27.48 28.77 3kqz h GLN 546 CO 0.64 0.81 -0.59 0.96 -1.93 0.00 0.00 178.83 178.71 3kqz s ILE 547 N -4.11 1.52 0.17 2.39 -4.36 -1.26 -4.88 121.20 110.66 3kqz s ILE 547 Ca -0.14 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.15 3kqz s ILE 547 Cb 0.05 -2.82 -0.07 0.00 1.25 0.00 0.00 42.46 40.87 3kqz s ILE 547 CO 0.76 0.00 0.48 -0.55 0.24 0.00 0.00 174.94 175.88 3kqz s SER 548 N -3.62 6.64 -0.08 4.36 0.15 -1.26 -4.78 113.70 115.11 3kqz s SER 548 Ca 0.33 0.86 0.15 0.00 0.70 0.00 0.00 55.95 57.98 3kqz s SER 548 Cb 0.09 -2.20 -0.23 0.00 -1.71 0.00 0.00 66.02 61.96 3kqz s SER 548 CO 0.16 0.03 0.50 -1.54 1.20 0.00 0.00 173.24 173.59 3kqz n SER 549 N 0.28 0.62 -0.05 5.45 3.41 -1.26 -4.78 113.62 117.28 3kqz n SER 549 Ca -0.03 0.29 -0.05 0.00 -0.26 0.00 0.00 58.87 58.82 3kqz n SER 549 Cb 0.52 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 3kqz n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqz n SER 550 N -2.94 1.23 -4.59 4.04 3.41 -1.26 -4.98 113.62 108.52 3kqz n SER 550 Ca -0.21 0.21 -0.56 0.00 -0.26 0.00 0.00 58.87 58.05 3kqz n SER 550 Cb 1.06 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 3kqz n SER 550 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kqz n VAL 551 N -3.74 0.24 0.58 -3.33 0.31 -1.26 -4.87 118.33 106.26 3kqz n VAL 551 Ca -0.08 -0.10 0.13 0.00 -0.01 0.00 0.00 64.34 64.27 3kqz n VAL 551 Cb 0.31 -1.25 0.39 0.00 -0.91 0.00 0.00 33.84 32.38 3kqz n VAL 551 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kqz h LYS 552 N 8.74 0.00 -3.87 5.55 1.57 -1.96 -3.40 116.57 123.20 3kqz h LYS 552 Ca -0.37 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.90 3kqz h LYS 552 Cb 1.33 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.67 3kqz h LYS 552 CO 0.99 0.00 2.52 0.00 -0.57 0.00 0.00 179.45 182.39 3kqz n ALA 553 N -1.82 4.20 0.21 3.86 0.00 -1.26 -4.74 120.51 120.97 3kqz n ALA 553 Ca 0.05 -2.60 0.07 0.00 0.00 0.00 0.00 53.44 50.97 3kqz n ALA 553 Cb 0.43 -3.27 0.47 0.00 0.00 0.00 0.00 19.45 17.08 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 6.92 0.00 0.43 0.00 4.64 -1.98 0.98 113.55 124.53 3kqz h SER 554 Ca 0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.70 3kqz h SER 554 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3kqz h SER 554 CO 1.67 0.29 -0.43 0.28 -0.87 0.00 0.00 176.83 177.77 3kqz h SER 555 N 0.00 0.00 0.06 4.97 0.02 -1.94 0.45 113.55 117.10 3kqz h SER 555 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3kqz h SER 555 Cb 0.63 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.18 3kqz h SER 555 CO 0.04 0.43 -0.63 0.40 -1.14 0.00 0.00 176.83 175.93 3kqz h ILE 556 N 0.00 1.49 -0.32 3.27 2.04 -1.16 -2.82 117.51 120.00 3kqz h ILE 556 Ca -0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.60 3kqz h ILE 556 Cb 0.76 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.71 3kqz h ILE 556 CO 0.06 0.64 0.20 0.58 0.00 0.00 0.00 178.15 179.63 3kqz h VAL 557 N -0.28 1.10 -0.83 1.67 2.07 -1.06 0.16 116.25 119.09 3kqz h VAL 557 Ca -0.09 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.34 3kqz h VAL 557 Cb 1.40 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 3kqz h VAL 557 CO 0.12 0.10 0.54 0.00 0.02 0.00 0.00 177.57 178.35 3kqz h ALA 558 N 1.09 1.93 -0.02 1.67 0.00 -0.17 0.57 119.26 124.33 3kqz h ALA 558 Ca 0.12 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3kqz h ALA 558 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kqz h ALA 558 CO -0.02 -0.14 -0.76 0.77 0.00 0.00 0.00 179.25 179.09 3kqz h SER 559 N 0.59 0.22 -0.56 0.00 0.02 -0.97 -1.15 113.55 111.71 3kqz h SER 559 Ca 0.41 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3kqz h SER 559 Cb 0.73 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3kqz h SER 559 CO -0.16 0.90 0.29 -0.07 -1.14 0.00 0.00 176.83 176.65 3kqz h LEU 560 N 0.11 0.74 0.59 5.07 3.38 0.13 -0.24 115.31 125.10 3kqz h LEU 560 Ca -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kqz h LEU 560 Cb 1.34 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.90 3kqz h LEU 560 CO 0.11 0.63 -0.28 0.15 0.09 0.00 0.00 178.44 179.14 3kqz h PHE 561 N 0.83 -0.74 -0.58 1.13 3.04 -0.58 -3.04 116.94 117.00 3kqz h PHE 561 Ca 0.21 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.21 3kqz h PHE 561 Cb 0.07 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 3kqz h PHE 561 CO 0.01 -0.42 0.39 -0.07 -2.02 0.00 0.00 178.31 176.20 3kqz h LEU 562 N -1.14 0.45 -2.36 0.59 3.38 -1.20 0.44 115.31 115.47 3kqz h LEU 562 Ca -0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kqz h LEU 562 Cb 0.65 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kqz h LEU 562 CO 0.13 0.29 0.02 0.50 0.09 0.00 0.00 178.44 179.47 3kqz h LYS 563 N 0.51 0.00 0.00 1.13 3.64 -0.93 0.04 116.57 120.97 3kqz h LYS 563 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3kqz h LYS 563 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3kqz h LYS 563 CO -0.07 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.50 3kqz n GLU 564 N -3.99 0.02 -0.31 1.90 -0.58 0.15 -2.91 120.64 114.91 3kqz n GLU 564 Ca -0.03 0.24 0.07 0.00 -0.42 0.00 0.00 57.16 57.03 3kqz n GLU 564 Cb 0.11 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.48 0.75 -3.88 -0.32 3.01 0.00 -4.81 117.46 110.74 3kqz n PHE 565 Ca 0.04 -0.61 -0.28 0.00 1.01 0.00 0.00 57.45 57.60 3kqz n PHE 565 Cb 0.16 -0.13 -0.16 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.57 1.09 -0.16 -4.37 1.01 -1.15 -3.70 120.40 111.56 3kqz s VAL 566 Ca 0.33 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3kqz s VAL 566 Cb 0.21 -1.32 -0.23 0.00 0.00 0.00 0.00 36.38 35.03 3kqz s VAL 566 CO 0.16 0.05 0.37 -0.61 0.00 0.00 0.00 175.10 175.07 3kqz h GLN 567 N 8.11 0.13 -0.15 2.72 5.75 -1.87 -3.44 115.11 126.36 3kqz h GLN 567 Ca -0.22 -0.22 -0.19 0.00 -0.15 0.00 0.00 58.65 57.87 3kqz h GLN 567 Cb 1.11 0.08 -0.29 0.00 1.07 0.00 0.00 27.48 29.45 3kqz h GLN 567 CO 0.39 1.10 -0.74 -1.71 -2.65 0.00 0.00 178.83 175.22 3kqz n ASN 568 N -4.09 0.22 -3.97 -0.69 5.15 -1.26 -5.07 115.26 105.55 3kqz n ASN 568 Ca -0.29 -2.06 -0.14 0.00 -0.60 0.00 0.00 54.58 51.48 3kqz n ASN 568 Cb 0.81 -0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.92 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 -1.29 0.36 0.11 -0.44 2.01 -1.26 -5.11 115.64 110.02 3kqz s THR 569 Ca 0.19 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.49 3kqz s THR 569 Cb 0.32 -0.34 -0.10 0.00 0.01 0.00 0.00 72.50 72.39 3kqz s THR 569 CO -0.09 -0.04 1.76 0.00 -0.69 0.00 0.00 174.62 175.57 3kqz s ALA 570 N -0.43 3.74 -0.02 7.40 0.00 -1.26 -4.94 121.76 126.26 3kqz s ALA 570 Ca -0.02 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 3kqz s ALA 570 Cb -0.04 -3.74 0.01 0.00 0.00 0.00 0.00 23.12 19.36 3kqz s ALA 570 CO -0.00 -1.17 0.06 -0.46 0.00 0.00 0.00 175.76 174.19 3kqz s TRP 571 N 2.63 -0.06 0.10 0.00 -0.00 -1.26 -1.55 118.94 118.80 3kqz s TRP 571 Ca 0.78 0.17 0.01 0.00 -0.00 0.00 0.00 56.10 57.06 3kqz s TRP 571 Cb -0.44 0.01 -0.04 0.00 -0.00 0.00 0.00 33.47 33.00 3kqz s TRP 571 CO 0.35 -0.04 -0.04 0.00 -0.00 0.00 0.00 176.95 177.22 3kqz s ALA 572 N 0.12 0.90 -0.04 5.86 0.00 -0.28 -1.07 121.76 127.25 3kqz s ALA 572 Ca -0.01 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 3kqz s ALA 572 Cb -0.01 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.43 3kqz s ALA 572 CO -0.00 -0.30 0.07 -1.58 0.00 0.00 0.00 175.76 173.95 3kqz s HIS 573 N -3.73 0.01 -0.32 0.00 2.46 0.04 -0.78 115.29 112.97 3kqz s HIS 573 Ca 0.13 0.30 -0.10 0.00 0.47 0.00 0.00 55.06 55.87 3kqz s HIS 573 Cb 0.06 -0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.12 3kqz s HIS 573 CO -0.04 -0.18 0.16 0.42 -2.47 0.00 0.00 174.74 172.62 3kqz s ILE 574 N 1.97 4.53 -0.53 0.89 1.01 0.19 -0.93 121.20 128.34 3kqz s ILE 574 Ca 0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.92 3kqz s ILE 574 Cb -0.12 -3.36 0.05 0.00 0.01 0.00 0.00 42.46 39.04 3kqz s ILE 574 CO -0.04 0.01 0.79 -0.62 0.00 0.00 0.00 174.94 175.08 3kqz s ASP 575 N 1.59 6.28 -0.22 3.58 -1.08 0.32 -0.77 116.67 126.38 3kqz s ASP 575 Ca 0.04 -0.61 0.15 0.00 -0.52 0.00 0.00 52.55 51.60 3kqz s ASP 575 Cb -0.17 -2.37 0.61 0.00 -1.46 0.00 0.00 42.92 39.53 3kqz s ASP 575 CO 0.06 -1.06 1.54 2.30 0.52 0.00 0.00 175.17 178.52 3kqz n ILE 576 N 5.92 2.49 -0.34 4.11 -5.35 0.10 -2.84 119.36 123.45 3kqz n ILE 576 Ca -0.02 -1.86 0.09 0.00 -0.27 0.00 0.00 62.75 60.70 3kqz n ILE 576 Cb 0.46 -0.28 0.29 0.00 -1.74 0.00 0.00 39.64 38.37 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 2.21 1.63 0.00 -1.28 0.00 -1.82 -1.45 119.26 118.54 3kqz h ALA 577 Ca 0.06 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3kqz h ALA 577 Cb 1.68 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 3kqz h ALA 577 CO 0.35 0.10 -1.00 0.78 0.00 0.00 0.00 179.25 179.49 3kqz h GLY 578 N 0.88 0.00 0.00 0.00 0.00 -1.81 -3.39 103.07 98.75 3kqz h GLY 578 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3kqz h GLY 578 CO -0.27 0.00 -1.42 3.33 0.00 0.00 0.00 176.54 178.18 3kqz n VAL 579 N -3.12 0.00 -0.07 4.60 0.24 -0.96 -4.05 118.33 114.97 3kqz n VAL 579 Ca -0.04 -0.28 -0.07 0.00 -2.04 0.00 0.00 64.34 61.91 3kqz n VAL 579 Cb 0.83 0.45 0.11 0.00 -1.47 0.00 0.00 33.84 33.77 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 0.74 -3.60 -1.34 0.87 -1.48 -3.42 113.55 105.32 3kqz h SER 580 Ca 0.00 -0.25 -0.64 0.00 -1.23 0.00 0.00 61.79 59.67 3kqz h SER 580 Cb 0.66 -0.20 -0.19 0.00 -0.44 0.00 0.00 62.40 62.22 3kqz h SER 580 CO 0.00 0.93 -0.58 0.86 -0.53 0.00 0.00 176.83 177.51 3kqz s TRP 581 N -4.63 3.16 -0.82 2.24 -0.11 -1.26 -1.57 118.94 115.95 3kqz s TRP 581 Ca -0.09 -0.16 -0.25 0.00 1.22 0.00 0.00 56.10 56.81 3kqz s TRP 581 Cb 0.13 -2.22 0.01 0.00 -1.50 0.00 0.00 33.47 29.89 3kqz s TRP 581 CO 0.83 -0.17 1.53 1.21 -4.62 0.00 0.00 176.95 175.73 3kqz s ASN 582 N 1.30 5.94 0.14 5.86 3.84 0.29 -4.89 114.94 127.42 3kqz s ASN 582 Ca 0.05 -0.60 -0.17 0.00 0.21 0.00 0.00 52.86 52.35 3kqz s ASN 582 Cb -0.15 -2.56 -0.00 0.00 -0.55 0.00 0.00 41.25 37.99 3kqz s ASN 582 CO 0.04 -1.98 1.79 -0.26 -2.79 0.00 0.00 177.10 173.90 3kqz h PHE 583 N 11.11 0.36 -0.58 0.43 -1.00 -1.96 0.35 116.94 125.65 3kqz h PHE 583 Ca -0.09 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.73 3kqz h PHE 583 Cb 1.05 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.46 3kqz h PHE 583 CO 1.17 0.21 0.35 -0.22 -1.61 0.00 0.00 178.31 178.21 3kqz h LYS 584 N 0.39 0.68 -0.00 1.51 1.63 -1.95 -2.70 116.57 116.13 3kqz h LYS 584 Ca 0.13 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 3kqz h LYS 584 Cb -0.00 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 3kqz h LYS 584 CO -0.06 0.45 -0.52 0.00 -3.45 0.00 0.00 179.45 175.88 3kqz n ALA 585 N -2.29 3.60 -3.00 5.00 0.00 -1.08 -4.95 120.51 117.79 3kqz n ALA 585 Ca 0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3kqz n ALA 585 Cb 0.08 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.44 -3.85 -3.60 0.00 1.74 0.12 -5.01 116.66 104.62 3kqz n ARG 586 Ca 0.06 0.41 -0.08 0.00 -0.77 0.00 0.00 57.85 57.46 3kqz n ARG 586 Cb 0.34 -4.16 -0.02 0.00 -1.02 0.00 0.00 32.46 27.59 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 -5.53 1.26 0.71 5.56 -2.85 -1.02 -5.03 119.74 112.84 3kqz s LYS 587 Ca 0.25 -0.58 -0.11 0.00 -1.00 0.00 0.00 55.97 54.54 3kqz s LYS 587 Cb -0.11 0.50 0.02 0.00 -2.06 0.00 0.00 37.83 36.18 3kqz s LYS 587 CO 0.36 -0.56 1.07 -1.25 0.10 0.00 0.00 175.35 175.06 3kqz s PRO 588 N -3.53 2.81 0.09 1.78 0.05 -1.26 -0.55 135.00 134.38 3kqz s PRO 588 Ca 0.06 1.03 0.23 0.00 0.05 0.00 0.00 61.00 62.37 3kqz s PRO 588 Cb -0.02 -1.97 0.02 0.00 0.05 0.00 0.00 34.50 32.58 3kqz s PRO 588 CO -0.05 -1.21 1.00 1.63 0.05 0.00 0.00 177.00 178.43 3kqz n LYS 589 N -3.14 0.41 -2.97 4.56 5.02 -0.61 -4.66 118.16 116.78 3kqz n LYS 589 Ca 0.08 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 3kqz n LYS 589 Cb 0.53 -1.65 0.04 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.30 0.01 3.69 0.72 0.00 -1.26 -4.90 105.19 104.76 3kqz n GLY 590 Ca 0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3kqz n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqz s PHE 591 N -3.08 2.35 0.00 1.61 5.36 -1.26 -3.40 117.98 119.56 3kqz s PHE 591 Ca 0.28 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 3kqz s PHE 591 Cb -0.12 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.56 3kqz s PHE 591 CO 0.35 -4.01 0.00 0.41 -1.46 0.00 0.00 175.22 170.50 3kqz n GLY 592 N 4.04 1.21 0.33 13.12 0.00 -1.26 -4.68 105.19 117.94 3kqz n GLY 592 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 0.37 -0.64 1.61 2.07 -1.74 0.65 116.25 118.56 3kqz h VAL 593 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3kqz h VAL 593 Cb 0.00 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3kqz h VAL 593 CO 0.00 0.00 0.07 0.03 0.02 0.00 0.00 177.57 177.69 3kqz h ARG 594 N -0.63 1.09 -0.33 1.57 3.08 -1.89 -0.83 114.38 116.44 3kqz h ARG 594 Ca -0.01 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.78 3kqz h ARG 594 Cb 0.58 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3kqz h ARG 594 CO -0.06 1.02 0.02 1.25 -1.07 0.00 0.00 179.97 181.13 3kqz h LEU 595 N 1.00 -0.09 -0.41 3.04 5.85 -1.74 0.25 115.31 123.20 3kqz h LEU 595 Ca 0.19 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.80 3kqz h LEU 595 Cb 0.48 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3kqz h LEU 595 CO 0.02 -0.01 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.29 3kqz h LEU 596 N 0.12 0.37 -0.30 2.25 3.38 -0.58 -0.50 115.31 120.05 3kqz h LEU 596 Ca 0.16 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3kqz h LEU 596 Cb 0.20 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kqz h LEU 596 CO -0.25 1.00 -0.39 0.74 0.09 0.00 0.00 178.44 179.63 3kqz h THR 597 N 0.20 1.29 -0.48 0.22 2.02 -0.76 -1.07 112.91 114.35 3kqz h THR 597 Ca -0.03 -1.57 -0.07 0.00 0.77 0.00 0.00 66.41 65.51 3kqz h THR 597 Cb 1.33 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 3kqz h THR 597 CO 0.12 0.51 0.01 -0.33 0.37 0.00 0.00 175.52 176.20 3kqz h GLU 598 N 0.55 0.78 -0.43 6.66 4.39 -0.37 -0.43 114.58 125.74 3kqz h GLU 598 Ca 0.04 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.56 3kqz h GLU 598 Cb 0.98 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 3kqz h GLU 598 CO 0.09 0.79 0.22 0.35 -1.16 0.00 0.00 179.01 179.30 3kqz h PHE 599 N 0.73 0.41 0.05 4.33 3.57 -0.85 -0.84 116.94 124.33 3kqz h PHE 599 Ca 0.14 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.43 3kqz h PHE 599 Cb 0.44 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3kqz h PHE 599 CO 0.02 0.21 -1.06 -0.39 -2.23 0.00 0.00 178.31 174.87 3kqz h VAL 600 N 0.45 1.56 -0.09 1.41 -1.51 -0.74 -2.97 116.25 114.35 3kqz h VAL 600 Ca 0.18 -3.02 -0.17 0.00 -1.23 0.00 0.00 66.70 62.47 3kqz h VAL 600 Cb 0.08 2.76 0.01 0.00 -2.13 0.00 0.00 31.29 32.01 3kqz h VAL 600 CO -0.12 0.88 -0.60 -0.07 -1.23 0.00 0.00 177.57 176.43 3kqz h LEU 601 N 0.07 0.69 -2.65 4.19 4.07 -1.06 -3.26 115.31 117.34 3kqz h LEU 601 Ca -0.07 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.23 3kqz h LEU 601 Cb 1.76 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.30 3kqz h LEU 601 CO 0.16 1.24 0.00 0.59 -1.08 0.00 0.00 178.44 179.35 3kqz n ASN 602 N -4.16 3.97 -0.36 -0.43 3.02 -0.33 -5.04 115.26 111.93 3kqz n ASN 602 Ca -0.08 -2.21 0.14 0.00 -0.03 0.00 0.00 54.58 52.40 3kqz n ASN 602 Cb 0.65 -0.50 0.63 0.00 -0.61 0.00 0.00 39.78 39.95 3kqz n ASN 602 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74