#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 3.57 0.03 0.00 0.01 -1.26 -5.10 113.70 110.95 3kqz s SER 86 Ca 0.00 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.11 3kqz s SER 86 Cb 0.00 -0.33 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 3kqz s SER 86 CO 0.00 0.11 1.14 -1.83 0.41 0.00 0.00 173.24 173.07 3kqz s GLU 87 N -2.79 4.45 -0.00 12.44 1.03 -1.26 -4.92 118.70 127.65 3kqz s GLU 87 Ca 0.22 1.67 -0.29 0.00 0.03 0.00 0.00 54.97 56.61 3kqz s GLU 87 Cb -0.08 -3.40 -0.03 0.00 -0.80 0.00 0.00 34.13 29.82 3kqz s GLU 87 CO 0.11 -0.23 0.93 0.54 -1.33 0.00 0.00 175.26 175.29 3kqz s VAL 88 N 1.19 4.87 0.50 1.83 0.11 -1.26 -5.01 120.40 122.62 3kqz s VAL 88 Ca 0.57 1.96 -0.21 0.00 -2.93 0.00 0.00 61.98 61.37 3kqz s VAL 88 Cb -0.27 -4.28 -0.07 0.00 -1.53 0.00 0.00 36.38 30.24 3kqz s VAL 88 CO 0.28 0.19 1.13 -2.16 -3.33 0.00 0.00 175.10 171.21 3kqz s PRO 89 N 0.89 3.59 0.17 1.54 0.04 -1.26 -4.96 135.00 135.01 3kqz s PRO 89 Ca 0.49 1.64 0.10 0.00 0.04 0.00 0.00 61.00 63.27 3kqz s PRO 89 Cb -0.21 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3kqz s PRO 89 CO 0.27 -0.66 -0.16 -0.65 0.04 0.00 0.00 177.00 175.84 3kqz s GLN 90 N -3.02 1.83 -0.17 4.56 -0.21 -1.26 -5.03 119.66 116.36 3kqz s GLN 90 Ca 0.68 -1.34 -0.10 0.00 0.02 0.00 0.00 55.36 54.62 3kqz s GLN 90 Cb -0.25 -2.05 -0.22 0.00 1.00 0.00 0.00 33.01 31.50 3kqz s GLN 90 CO 0.29 0.43 0.19 0.28 -2.12 0.00 0.00 175.29 174.36 3kqz n VAL 91 N 0.24 1.66 -4.35 1.09 0.31 -1.26 -4.99 118.33 111.03 3kqz n VAL 91 Ca -0.12 -0.46 -0.18 0.00 -0.01 0.00 0.00 64.34 63.57 3kqz n VAL 91 Cb 0.55 -1.79 -0.10 0.00 -0.91 0.00 0.00 33.84 31.59 3kqz n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kqz s VAL 92 N -2.50 1.39 -0.03 2.52 -7.23 -1.26 -5.04 120.40 108.25 3kqz s VAL 92 Ca -0.27 -2.10 0.31 0.00 -1.81 0.00 0.00 61.98 58.11 3kqz s VAL 92 Cb 0.07 -2.24 0.34 0.00 0.56 0.00 0.00 36.38 35.11 3kqz s VAL 92 CO 0.68 -0.43 1.93 0.77 -0.31 0.00 0.00 175.10 177.73 3kqz h SER 93 N 2.47 0.00 0.65 4.85 4.64 -2.03 -2.02 113.55 122.11 3kqz h SER 93 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kqz h SER 93 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kqz h SER 93 CO 0.65 0.00 -0.06 0.18 -0.87 0.00 0.00 176.83 176.73 3kqz n LEU 94 N -2.74 0.14 -4.73 5.97 4.77 -1.26 -4.83 117.00 114.32 3kqz n LEU 94 Ca 0.00 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 3kqz n LEU 94 Cb 0.22 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3kqz n LEU 94 CO 0.22 0.03 1.22 -1.81 -1.33 0.00 0.00 177.39 175.72 3kqz s ASP 95 N -2.71 6.56 0.60 -1.43 1.01 -0.76 -4.97 116.67 114.97 3kqz s ASP 95 Ca 0.23 2.68 -0.17 0.00 0.71 0.00 0.00 52.55 56.00 3kqz s ASP 95 Cb 0.20 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3kqz s ASP 95 CO 0.50 -0.82 1.10 -2.16 0.21 0.00 0.00 175.17 174.00 3kqz s PRO 96 N 0.73 3.12 0.00 8.23 0.04 -1.26 -4.96 135.00 140.89 3kqz s PRO 96 Ca 0.68 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3kqz s PRO 96 Cb -0.44 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3kqz s PRO 96 CO 0.35 -1.01 0.90 0.25 0.04 0.00 0.00 177.00 177.53 3kqz n THR 97 N -1.91 0.79 -3.59 1.26 -2.24 -1.26 -4.82 114.28 102.51 3kqz n THR 97 Ca 0.10 -0.90 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 3kqz n THR 97 Cb 0.52 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.79 -0.36 -0.30 3.42 1.04 -1.26 -4.68 113.70 110.77 3kqz s SER 98 Ca 0.00 -0.26 -0.25 0.00 0.48 0.00 0.00 55.95 55.92 3kqz s SER 98 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3kqz s SER 98 CO 0.00 -0.96 0.87 -0.63 0.98 0.00 0.00 173.24 173.50 3kqz s ILE 99 N -3.81 4.73 0.26 -1.02 1.01 -1.25 -4.84 121.20 116.27 3kqz s ILE 99 Ca 0.04 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 61.80 3kqz s ILE 99 Cb -0.00 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 3kqz s ILE 99 CO -0.09 -0.27 1.53 -2.16 0.00 0.00 0.00 174.94 173.95 3kqz s PRO 100 N 3.11 4.20 -0.07 2.79 0.04 -1.26 -5.00 135.00 138.80 3kqz s PRO 100 Ca 0.36 2.43 0.03 0.00 0.04 0.00 0.00 61.00 63.86 3kqz s PRO 100 Cb -0.14 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.33 3kqz s PRO 100 CO 0.12 -0.54 -0.14 0.42 0.04 0.00 0.00 177.00 176.89 3kqz s ILE 101 N 0.17 1.30 -0.30 0.56 -1.09 -1.26 -4.97 121.20 115.61 3kqz s ILE 101 Ca 0.63 -0.58 -0.21 0.00 -2.23 0.00 0.00 60.65 58.25 3kqz s ILE 101 Cb -0.45 -1.17 -0.01 0.00 -1.58 0.00 0.00 42.46 39.26 3kqz s ILE 101 CO 0.43 0.39 0.68 -1.61 -1.23 0.00 0.00 174.94 173.60 3kqz s GLU 102 N 0.55 3.94 -0.21 2.79 0.41 -1.26 -4.94 118.70 119.97 3kqz s GLU 102 Ca -0.14 0.42 -0.18 0.00 -0.41 0.00 0.00 54.97 54.65 3kqz s GLU 102 Cb -0.16 -3.72 -0.15 0.00 -1.78 0.00 0.00 34.13 28.32 3kqz s GLU 102 CO 0.04 -0.59 0.02 0.66 -0.49 0.00 0.00 175.26 174.91 3kqz n TYR 103 N 5.96 0.75 -2.72 1.61 4.02 -1.26 -4.82 117.16 120.70 3kqz n TYR 103 Ca 0.01 0.32 -0.43 0.00 -0.01 0.00 0.00 57.90 57.79 3kqz n TYR 103 Cb 0.49 -1.02 -0.03 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 -6.82 6.56 0.23 7.72 -0.87 -1.26 -5.00 114.94 115.49 3kqz s ASN 104 Ca -0.29 0.27 0.09 0.00 -1.57 0.00 0.00 52.86 51.36 3kqz s ASN 104 Cb 0.07 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.76 3kqz s ASN 104 CO 0.52 -1.15 -0.02 0.42 -2.57 0.00 0.00 177.10 174.30 3kqz s THR 105 N 4.10 3.48 0.52 1.60 -4.23 -1.26 -5.01 115.64 114.84 3kqz s THR 105 Ca 0.42 -1.73 0.22 0.00 -1.18 0.00 0.00 61.69 59.43 3kqz s THR 105 Cb -0.09 -2.81 0.36 0.00 1.34 0.00 0.00 72.50 71.31 3kqz s THR 105 CO 0.29 -0.25 2.03 -0.65 -0.54 0.00 0.00 174.62 175.50 3kqz h PRO 106 N 2.29 0.03 -0.86 3.99 0.11 -2.00 -0.98 132.00 134.59 3kqz h PRO 106 Ca -0.46 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.80 3kqz h PRO 106 Cb 1.23 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3kqz h PRO 106 CO 0.58 0.02 0.56 0.82 -0.21 0.00 0.00 178.00 179.77 3kqz h ILE 107 N 0.03 0.82 0.00 4.15 1.08 -1.94 -0.48 117.51 121.17 3kqz h ILE 107 Ca 0.20 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3kqz h ILE 107 Cb 0.75 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 3kqz h ILE 107 CO -0.01 0.11 0.00 1.41 -0.69 0.00 0.00 178.15 178.98 3kqz n HIS 108 N -4.54 0.47 1.09 1.37 8.25 -0.37 -2.29 115.22 119.20 3kqz n HIS 108 Ca 0.17 0.19 0.12 0.00 -0.26 0.00 0.00 57.72 57.93 3kqz n HIS 108 Cb 0.48 -0.81 0.14 0.00 1.12 0.00 0.00 29.99 30.92 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 -1.94 1.55 -4.64 0.41 8.00 -0.19 -4.91 116.55 114.83 3kqz n ASP 109 Ca 0.02 -1.22 -0.43 0.00 0.71 0.00 0.00 54.79 53.88 3kqz n ASP 109 Cb 0.19 0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.53 4.23 -0.07 0.53 1.01 -0.97 -4.81 121.20 118.58 3kqz s ILE 110 Ca 0.20 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.98 3kqz s ILE 110 Cb 0.18 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3kqz s ILE 110 CO 0.58 -0.36 1.25 -0.54 0.00 0.00 0.00 174.94 175.87 3kqz s LYS 111 N 3.89 4.31 -0.17 2.79 1.02 -0.16 -4.90 119.74 126.53 3kqz s LYS 111 Ca 0.55 1.72 -0.05 0.00 0.02 0.00 0.00 55.97 58.21 3kqz s LYS 111 Cb -0.18 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 3kqz s LYS 111 CO 0.19 -0.53 0.01 0.08 -0.92 0.00 0.00 175.35 174.17 3kqz s VAL 112 N 2.58 4.29 -0.00 3.17 1.01 -1.26 -0.48 120.40 129.70 3kqz s VAL 112 Ca 0.57 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.39 3kqz s VAL 112 Cb -0.25 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3kqz s VAL 112 CO 0.21 0.48 -0.16 -1.10 0.00 0.00 0.00 175.10 174.53 3kqz s GLN 113 N 0.37 1.25 -0.10 2.72 -1.52 -0.42 -4.98 119.66 116.97 3kqz s GLN 113 Ca -0.01 -0.60 0.04 0.00 -1.95 0.00 0.00 55.36 52.84 3kqz s GLN 113 Cb -0.13 -1.22 0.00 0.00 -0.22 0.00 0.00 33.01 31.44 3kqz s GLN 113 CO 0.02 0.33 -0.23 0.08 -0.25 0.00 0.00 175.29 175.23 3kqz s VAL 114 N -0.44 2.02 0.11 1.09 1.01 -1.26 -1.03 120.40 121.91 3kqz s VAL 114 Ca 0.06 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.12 3kqz s VAL 114 Cb -0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3kqz s VAL 114 CO -0.00 0.55 -0.19 -0.31 0.00 0.00 0.00 175.10 175.15 3kqz s TYR 115 N 0.42 1.72 0.02 5.22 1.51 0.85 -4.88 117.35 122.22 3kqz s TYR 115 Ca -0.17 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.14 3kqz s TYR 115 Cb -0.18 -0.92 -0.06 0.00 -0.11 0.00 0.00 41.96 40.69 3kqz s TYR 115 CO 0.07 0.22 1.33 0.34 -1.11 0.00 0.00 175.55 176.40 3kqz s ASP 116 N -2.10 6.92 0.48 2.29 -1.08 -1.26 -1.32 116.67 120.60 3kqz s ASP 116 Ca 0.08 2.09 0.18 0.00 -0.52 0.00 0.00 52.55 54.38 3kqz s ASP 116 Cb -0.09 -2.57 1.17 0.00 -1.46 0.00 0.00 42.92 39.98 3kqz s ASP 116 CO 0.05 -0.64 2.05 -0.29 0.52 0.00 0.00 175.17 176.86 3kqz h ILE 117 N 4.73 0.98 0.00 4.11 2.10 -1.44 -2.62 117.51 125.37 3kqz h ILE 117 Ca -0.39 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.09 3kqz h ILE 117 Cb 1.19 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 3kqz h ILE 117 CO 0.87 0.13 0.00 0.11 -1.08 0.00 0.00 178.15 178.18 3kqz h LYS 118 N 0.00 0.00 -0.02 2.19 1.57 -1.91 -1.74 116.57 116.66 3kqz h LYS 118 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqz h LYS 118 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3kqz h LYS 118 CO 0.02 0.00 -0.12 0.41 -0.57 0.00 0.00 179.45 179.19 3kqz n GLY 119 N -0.82 0.15 0.00 3.86 0.00 -0.99 -5.05 105.19 102.34 3kqz n GLY 119 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.29 -1.46 3.59 -0.02 0.00 -0.66 -5.00 105.19 102.93 3kqz n GLY 120 Ca 0.15 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N -0.84 6.25 -0.07 0.00 2.47 -1.26 -1.17 114.94 120.32 3kqz s ASN 122 Ca 0.13 -0.33 0.11 0.00 0.42 0.00 0.00 52.86 53.19 3kqz s ASN 122 Cb -0.11 -2.25 0.27 0.00 -1.45 0.00 0.00 41.25 37.71 3kqz s ASN 122 CO 0.02 -0.53 1.20 1.33 -3.72 0.00 0.00 177.10 175.40 3kqz n VAL 123 N 5.45 1.52 0.54 -5.21 0.24 -1.26 -4.78 118.33 114.84 3kqz n VAL 123 Ca -0.06 -1.52 0.10 0.00 -2.04 0.00 0.00 64.34 60.82 3kqz n VAL 123 Cb 0.48 0.14 0.41 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.49 0.07 -3.74 7.34 0.28 -1.26 -4.71 120.64 118.14 3kqz n GLU 124 Ca 0.12 0.26 -0.20 0.00 -0.16 0.00 0.00 57.16 57.18 3kqz n GLU 124 Cb 0.54 -1.62 -0.17 0.00 1.43 0.00 0.00 31.44 31.61 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 -3.09 0.15 1.65 3.44 2.12 -1.26 -4.90 118.70 116.80 3kqz s GLU 125 Ca 0.07 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.66 3kqz s GLU 125 Cb 0.11 -0.60 0.00 0.00 0.26 0.00 0.00 34.13 33.90 3kqz s GLU 125 CO 0.36 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 3kqz n GLY 126 N 5.02 -1.19 3.61 -1.50 0.00 -1.26 -4.82 105.19 105.05 3kqz n GLY 126 Ca -0.09 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 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 4.04 -0.21 0.99 2.96 -0.02 -1.74 118.68 124.70 3kqz s LEU 127 Ca 0.00 0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 3kqz s LEU 127 Cb 0.00 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 3kqz s LEU 127 CO 0.00 -0.22 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.91 3kqz s THR 128 N 2.15 3.73 -0.13 3.68 2.01 0.84 -0.29 115.64 127.62 3kqz s THR 128 Ca 0.17 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.82 3kqz s THR 128 Cb -0.16 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.66 3kqz s THR 128 CO 0.10 0.42 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.60 3kqz s ILE 129 N 1.27 2.14 -0.23 1.82 -1.09 0.13 -0.46 121.20 124.78 3kqz s ILE 129 Ca 0.04 -0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 57.36 3kqz s ILE 129 Cb -0.15 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3kqz s ILE 129 CO 0.00 0.55 0.31 -0.36 -1.23 0.00 0.00 174.94 174.21 3kqz s PHE 130 N 0.73 3.32 -0.39 3.97 0.40 -0.50 -0.37 117.98 125.14 3kqz s PHE 130 Ca -0.09 0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 56.41 3kqz s PHE 130 Cb -0.16 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 40.94 3kqz s PHE 130 CO 0.00 -0.05 0.91 -0.51 0.70 0.00 0.00 175.22 176.27 3kqz s LEU 131 N 1.44 4.01 0.05 -0.37 1.43 0.17 -1.61 118.68 123.79 3kqz s LEU 131 Ca 0.14 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 3kqz s LEU 131 Cb -0.15 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 3kqz s LEU 131 CO 0.08 -0.90 -0.14 0.68 0.23 0.00 0.00 176.35 176.29 3kqz s VAL 132 N 3.52 1.14 0.40 -1.59 -7.23 -1.12 -1.07 120.40 114.44 3kqz s VAL 132 Ca 0.37 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.50 3kqz s VAL 132 Cb -0.12 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 3kqz s VAL 132 CO 0.21 -0.04 0.12 -0.46 -0.31 0.00 0.00 175.10 174.62 3kqz n ASN 133 N 1.75 1.47 -3.37 4.85 0.23 -1.26 -0.30 115.26 118.63 3kqz n ASN 133 Ca -0.19 -3.06 -0.21 0.00 -0.53 0.00 0.00 54.58 50.60 3kqz n ASN 133 Cb 0.54 0.90 -0.09 0.00 -2.08 0.00 0.00 39.78 39.06 3kqz n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 134 N -3.40 1.61 0.19 0.53 3.84 -0.20 -4.74 114.94 112.78 3kqz s ASN 134 Ca 0.17 -1.93 -0.33 0.00 0.21 0.00 0.00 52.86 50.98 3kqz s ASN 134 Cb 0.01 0.23 -0.13 0.00 -0.55 0.00 0.00 41.25 40.81 3kqz s ASN 134 CO 0.12 -0.25 1.60 -2.65 -2.79 0.00 0.00 177.10 173.12 3kqz n PRO 135 N 3.97 2.35 0.00 0.43 -0.02 -1.26 -3.05 135.00 137.42 3kqz n PRO 135 Ca 0.14 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3kqz n PRO 135 Cb 0.43 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3kqz n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 136 N 3.29 2.01 3.55 -1.23 0.00 -1.03 -4.94 105.19 106.84 3kqz n GLY 136 Ca 0.15 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 2.56 0.25 1.61 -2.85 -1.17 -4.96 119.74 115.18 3kqz s LYS 137 Ca 0.00 0.64 -0.31 0.00 -1.00 0.00 0.00 55.97 55.30 3kqz s LYS 137 Cb 0.00 -4.45 -0.11 0.00 -2.06 0.00 0.00 37.83 31.21 3kqz s LYS 137 CO 0.00 -2.84 1.63 -1.21 0.10 0.00 0.00 175.35 173.04 3kqz s GLU 138 N 7.18 4.13 -1.07 1.78 8.01 -1.26 -1.45 118.70 136.02 3kqz s GLU 138 Ca 0.70 2.56 -0.10 0.00 0.01 0.00 0.00 54.97 58.15 3kqz s GLU 138 Cb -0.13 -3.05 0.09 0.00 -4.31 0.00 0.00 34.13 26.73 3kqz s GLU 138 CO 0.20 -0.67 0.36 0.09 0.01 0.00 0.00 175.26 175.25 3kqz n ASN 139 N 2.95 -2.53 -4.62 -0.19 5.03 -1.26 -4.93 115.26 109.72 3kqz n ASN 139 Ca 0.11 -0.32 -0.29 0.00 0.87 0.00 0.00 54.58 54.95 3kqz n ASN 139 Cb 0.37 -2.16 0.20 0.00 -1.02 0.00 0.00 39.78 37.16 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 -2.61 1.58 0.91 7.41 0.00 -0.53 -4.49 107.32 109.59 3kqz s GLY 140 Ca 0.38 -0.15 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 3kqz s GLY 140 CO 0.46 0.46 1.15 2.56 0.00 0.00 0.00 173.10 177.74 3kqz s PRO 141 N -4.76 1.00 -0.03 2.90 0.04 -1.26 -1.52 135.00 131.38 3kqz s PRO 141 Ca 0.66 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 63.07 3kqz s PRO 141 Cb -0.21 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 3kqz s PRO 141 CO 0.60 -2.65 0.60 0.08 0.04 0.00 0.00 177.00 175.66 3kqz s VAL 142 N -2.62 4.97 -0.05 -0.36 1.01 -0.67 -4.54 120.40 118.14 3kqz s VAL 142 Ca 0.67 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3kqz s VAL 142 Cb -0.23 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3kqz s VAL 142 CO 0.58 0.38 -0.03 -0.75 0.00 0.00 0.00 175.10 175.28 3kqz s LYS 143 N 0.07 0.72 -0.19 2.72 2.20 -1.26 -3.53 119.74 120.46 3kqz s LYS 143 Ca 0.31 -0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.83 3kqz s LYS 143 Cb -0.18 -0.85 -0.04 0.00 -1.51 0.00 0.00 37.83 35.25 3kqz s LYS 143 CO 0.16 -0.16 0.05 0.42 -0.36 0.00 0.00 175.35 175.47 3kqz s ILE 144 N 1.27 4.61 -0.25 5.43 -1.09 -1.26 -4.90 121.20 125.00 3kqz s ILE 144 Ca -0.06 -0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.29 3kqz s ILE 144 Cb -0.14 -3.08 -0.17 0.00 -1.58 0.00 0.00 42.46 37.49 3kqz s ILE 144 CO -0.02 0.44 -0.21 -1.20 -1.23 0.00 0.00 174.94 172.73 3kqz n SER 145 N 3.74 1.98 -4.45 3.58 7.64 -1.26 -4.92 113.62 119.92 3kqz n SER 145 Ca -0.17 -0.13 -0.48 0.00 1.01 0.00 0.00 58.87 59.11 3kqz n SER 145 Cb 0.52 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -3.27 -0.57 -4.81 6.43 7.64 -1.26 -4.95 113.62 112.84 3kqz n SER 146 Ca -0.45 1.14 -0.37 0.00 1.01 0.00 0.00 58.87 60.20 3kqz n SER 146 Cb 0.99 -1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.06 4.28 0.07 1.43 2.20 -1.26 -4.94 119.74 120.47 3kqz s LYS 147 Ca 0.64 0.87 0.08 0.00 -0.36 0.00 0.00 55.97 57.21 3kqz s LYS 147 Cb -0.89 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 3kqz s LYS 147 CO 0.57 0.47 -0.22 0.14 -0.36 0.00 0.00 175.35 175.95 3kqz s VAL 148 N -1.39 1.75 -0.98 4.02 -7.23 -1.26 -0.36 120.40 114.96 3kqz s VAL 148 Ca 0.39 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3kqz s VAL 148 Cb -0.18 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.20 3kqz s VAL 148 CO 0.22 0.10 0.48 -0.46 -0.31 0.00 0.00 175.10 175.12 3kqz n ASN 149 N 1.46 0.99 -3.82 4.85 6.94 -0.31 -4.77 115.26 120.59 3kqz n ASN 149 Ca -0.18 -1.89 -0.19 0.00 -0.02 0.00 0.00 54.58 52.30 3kqz n ASN 149 Cb 0.53 -0.47 -0.16 0.00 -2.36 0.00 0.00 39.78 37.32 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3kqz s ASP 150 N -0.03 0.75 0.33 0.53 2.15 -1.26 -4.91 116.67 114.22 3kqz s ASP 150 Ca 0.00 -0.05 0.13 0.00 0.43 0.00 0.00 52.55 53.06 3kqz s ASP 150 Cb 0.00 -0.30 0.55 0.00 -0.30 0.00 0.00 42.92 42.87 3kqz s ASP 150 CO 0.00 -0.11 1.71 0.07 -0.17 0.00 0.00 175.17 176.67 3kqz h LYS 151 N 7.45 0.00 -0.08 4.34 2.10 -1.98 0.14 116.57 128.55 3kqz h LYS 151 Ca -0.36 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.23 3kqz h LYS 151 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3kqz h LYS 151 CO 0.42 0.49 -0.18 1.96 -2.00 0.00 0.00 179.45 180.14 3kqz h GLN 152 N 0.00 0.27 -0.09 0.07 1.08 -1.91 -2.26 115.11 112.26 3kqz h GLN 152 Ca -0.00 -0.18 -0.15 0.00 -1.45 0.00 0.00 58.65 56.87 3kqz h GLN 152 Cb 0.90 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 3kqz h GLN 152 CO 0.06 0.78 -0.58 0.28 -0.95 0.00 0.00 178.83 178.42 3kqz h VAL 153 N -0.21 1.37 -0.64 -0.54 2.07 -1.85 -1.82 116.25 114.62 3kqz h VAL 153 Ca 0.00 -1.90 0.07 0.00 0.82 0.00 0.00 66.70 65.68 3kqz h VAL 153 Cb 0.78 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 3kqz h VAL 153 CO 0.04 0.57 0.33 0.28 0.02 0.00 0.00 177.57 178.81 3kqz h SER 154 N 0.23 0.46 -0.21 0.57 0.02 -0.67 0.19 113.55 114.15 3kqz h SER 154 Ca -0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3kqz h SER 154 Cb 1.08 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3kqz h SER 154 CO 0.09 0.30 0.09 -0.08 -1.14 0.00 0.00 176.83 176.09 3kqz h GLU 155 N 0.60 0.30 -0.77 3.45 4.57 -0.97 -2.40 114.58 119.36 3kqz h GLU 155 Ca 0.29 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.46 3kqz h GLU 155 Cb 0.23 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 3kqz h GLU 155 CO -0.21 0.35 0.51 0.35 -1.18 0.00 0.00 179.01 178.83 3kqz h PHE 156 N 0.19 0.92 -0.02 0.92 3.57 -0.78 -1.81 116.94 119.93 3kqz h PHE 156 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kqz h PHE 156 Cb 0.15 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3kqz h PHE 156 CO -0.02 0.54 0.00 1.28 -2.23 0.00 0.00 178.31 177.88 3kqz n LEU 157 N -4.45 0.38 -4.66 0.59 4.77 0.61 -4.48 117.00 109.77 3kqz n LEU 157 Ca 0.10 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.57 3kqz n LEU 157 Cb 0.11 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 3kqz n LEU 157 CO 0.35 0.07 0.68 2.29 -1.33 0.00 0.00 177.39 179.45 3kqz n LYS 158 N -0.63 0.72 -0.32 3.23 2.85 -0.68 -4.58 118.16 118.74 3kqz n LYS 158 Ca 0.19 0.30 0.08 0.00 -1.05 0.00 0.00 58.31 57.83 3kqz n LYS 158 Cb 0.15 -2.34 0.24 0.00 -0.65 0.00 0.00 35.03 32.43 3kqz n LYS 158 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3kqz h ASP 159 N 0.02 0.68 -0.50 -5.58 3.32 -1.91 -0.74 116.42 111.71 3kqz h ASP 159 Ca -0.49 0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.68 3kqz h ASP 159 Cb 1.34 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 3kqz h ASP 159 CO 0.49 0.31 0.33 -0.33 -1.72 0.00 0.00 179.24 178.32 3kqz h GLU 160 N 0.75 0.54 0.13 3.56 3.07 -1.96 -0.15 114.58 120.52 3kqz h GLU 160 Ca 0.48 -0.03 -0.28 0.00 -0.50 0.00 0.00 59.36 59.03 3kqz h GLU 160 Cb 0.63 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3kqz h GLU 160 CO -0.33 0.36 -1.39 -0.97 -1.40 0.00 0.00 179.01 175.27 3kqz h ASN 161 N 0.56 0.42 0.67 1.42 -1.24 -1.69 -3.37 115.58 112.35 3kqz h ASN 161 Ca 0.20 -0.87 -0.04 0.00 0.71 0.00 0.00 56.30 56.30 3kqz h ASN 161 Cb 0.12 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 3kqz h ASN 161 CO -0.05 1.62 -0.20 0.24 -1.29 0.00 0.00 177.43 177.74 3kqz h MET 162 N -0.27 0.00 0.00 6.67 2.86 -0.70 -2.11 114.93 121.38 3kqz h MET 162 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3kqz h MET 162 Cb 1.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.45 3kqz h MET 162 CO 0.08 0.20 0.00 -0.85 1.06 0.00 0.00 176.91 177.40 3kqz n GLU 163 N -3.52 0.19 0.22 1.72 0.28 -0.11 -1.90 120.64 117.53 3kqz n GLU 163 Ca -0.01 0.11 0.15 0.00 -0.16 0.00 0.00 57.16 57.25 3kqz n GLU 163 Cb 0.36 -1.50 0.70 0.00 1.43 0.00 0.00 31.44 32.43 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 -6.21 3.44 1.57 -1.57 -3.43 116.57 110.36 3kqz h LYS 164 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3kqz h LYS 164 Cb 0.26 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.44 3kqz h LYS 164 CO 0.00 0.00 -0.72 -0.06 -0.57 0.00 0.00 179.45 178.10 3kqz s PHE 165 N -3.61 2.43 0.20 -1.35 2.99 -0.80 -5.05 117.98 112.79 3kqz s PHE 165 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 56.93 56.70 3kqz s PHE 165 Cb 0.09 -1.06 -0.05 0.00 0.00 0.00 0.00 43.02 42.00 3kqz s PHE 165 CO 0.41 0.68 -0.09 0.54 -0.00 0.00 0.00 175.22 176.77 3kqz s ASN 166 N -3.55 2.15 0.00 1.36 2.20 -1.26 -1.68 114.94 114.16 3kqz s ASN 166 Ca 0.30 -1.08 0.11 0.00 -0.94 0.00 0.00 52.86 51.25 3kqz s ASN 166 Cb -0.06 -0.06 0.32 0.00 -2.00 0.00 0.00 41.25 39.45 3kqz s ASN 166 CO 0.17 -0.33 1.26 1.33 -2.94 0.00 0.00 177.10 176.59 3kqz n VAL 167 N -0.35 0.43 -1.58 3.54 0.24 -0.57 -4.62 118.33 115.41 3kqz n VAL 167 Ca -0.08 -0.44 -0.52 0.00 -2.04 0.00 0.00 64.34 61.27 3kqz n VAL 167 Cb 0.62 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.46 1.10 -1.69 7.34 4.81 -1.26 -0.03 118.16 128.89 3kqz n LYS 168 Ca 0.11 0.40 -0.51 0.00 -0.87 0.00 0.00 58.31 57.44 3kqz n LYS 168 Cb 0.28 -2.00 -0.05 0.00 0.02 0.00 0.00 35.03 33.28 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 2.37 3.18 0.00 3.14 7.94 -1.26 -0.23 117.00 132.14 3kqz n LEU 169 Ca 0.18 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3kqz n LEU 169 Cb 0.20 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 42.84 3kqz n LEU 169 CO 0.62 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 3kqz n GLY 170 N 4.36 2.89 3.74 -3.96 0.00 0.18 -4.97 105.19 107.42 3kqz n GLY 170 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.62 2.63 0.10 2.61 2.01 0.68 -4.68 115.64 116.37 3kqz s THR 171 Ca 0.00 0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.55 3kqz s THR 171 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3kqz s THR 171 CO 0.00 0.07 -0.10 -0.94 -0.69 0.00 0.00 174.62 172.95 3kqz s SER 172 N 0.58 1.51 -0.01 3.53 1.04 -1.26 0.89 113.70 119.97 3kqz s SER 172 Ca 0.62 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 3kqz s SER 172 Cb -0.43 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.69 3kqz s SER 172 CO 0.40 -0.25 0.04 -0.54 0.98 0.00 0.00 173.24 173.88 3kqz s LYS 173 N -2.78 0.14 -0.00 4.02 -0.14 -1.12 -5.01 119.74 114.84 3kqz s LYS 173 Ca 0.06 -0.08 -0.06 0.00 -1.36 0.00 0.00 55.97 54.52 3kqz s LYS 173 Cb -0.03 0.06 -0.00 0.00 -1.68 0.00 0.00 37.83 36.18 3kqz s LYS 173 CO 0.00 -0.02 0.11 -3.38 -0.76 0.00 0.00 175.35 171.30 3kqz s HIS 174 N -0.34 0.05 -0.00 3.18 -3.43 -1.26 -1.67 115.29 111.81 3kqz s HIS 174 Ca -0.04 -0.12 0.03 0.00 -0.80 0.00 0.00 55.06 54.13 3kqz s HIS 174 Cb -0.03 -0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.06 3kqz s HIS 174 CO 0.00 -0.25 -0.10 -0.06 -2.00 0.00 0.00 174.74 172.34 3kqz s PHE 175 N -1.20 0.87 0.01 0.38 0.40 0.40 -4.93 117.98 113.91 3kqz s PHE 175 Ca -0.13 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 55.85 3kqz s PHE 175 Cb -0.07 -0.56 -0.06 0.00 0.51 0.00 0.00 43.02 42.84 3kqz s PHE 175 CO 0.01 -0.01 0.48 0.71 0.70 0.00 0.00 175.22 177.11 3kqz s TYR 176 N -0.27 3.73 0.26 0.36 1.51 -1.26 -0.46 117.35 121.21 3kqz s TYR 176 Ca 0.03 1.09 -0.09 0.00 -1.01 0.00 0.00 57.07 57.09 3kqz s TYR 176 Cb -0.04 -2.41 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 3kqz s TYR 176 CO -0.00 0.55 0.43 0.00 -1.11 0.00 0.00 175.55 175.41 3kqz s MET 177 N -0.83 1.56 -0.14 -0.62 0.23 -0.26 -4.99 119.30 114.25 3kqz s MET 177 Ca 0.26 -1.39 -0.12 0.00 -1.03 0.00 0.00 55.69 53.41 3kqz s MET 177 Cb -0.18 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.51 3kqz s MET 177 CO 0.15 -0.63 0.25 -0.06 -2.03 0.00 0.00 175.02 172.70 3kqz s PHE 178 N -3.86 3.51 0.16 3.16 0.08 -1.26 -0.03 117.98 119.73 3kqz s PHE 178 Ca 0.26 0.58 -0.03 0.00 0.12 0.00 0.00 56.93 57.87 3kqz s PHE 178 Cb 0.01 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3kqz s PHE 178 CO 0.11 0.38 0.18 0.27 -0.10 0.00 0.00 175.22 176.06 3kqz n ASN 179 N 3.10 -0.37 0.30 1.36 0.23 -0.42 -4.79 115.26 114.67 3kqz n ASN 179 Ca -0.14 -0.92 0.19 0.00 -0.53 0.00 0.00 54.58 53.18 3kqz n ASN 179 Cb 0.52 -0.15 1.02 0.00 -2.08 0.00 0.00 39.78 39.10 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 -0.58 0.00 -0.52 0.53 3.32 -1.95 -1.58 116.42 115.64 3kqz h ASP 180 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3kqz h ASP 180 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kqz h ASP 180 CO 0.04 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.15 3kqz n ASN 181 N -3.35 4.04 -1.64 6.45 3.02 -1.26 -4.92 115.26 117.59 3kqz n ASN 181 Ca -0.02 -2.36 -0.14 0.00 -0.03 0.00 0.00 54.58 52.03 3kqz n ASN 181 Cb 0.18 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.77 -1.40 -4.11 3.52 4.01 -0.59 -5.01 118.16 115.35 3kqz n LYS 182 Ca 0.21 0.66 -0.36 0.00 -0.51 0.00 0.00 58.31 58.31 3kqz n LYS 182 Cb 0.73 -4.92 -0.08 0.00 -0.51 0.00 0.00 35.03 30.25 3kqz n LYS 182 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3kqz s ASN 183 N -2.44 5.76 -0.11 4.39 0.02 -1.26 -4.85 114.94 116.45 3kqz s ASN 183 Ca 0.03 0.26 -0.29 0.00 -1.02 0.00 0.00 52.86 51.83 3kqz s ASN 183 Cb -0.01 -1.80 -0.04 0.00 0.02 0.00 0.00 41.25 39.42 3kqz s ASN 183 CO 0.03 0.35 1.54 -0.55 0.02 0.00 0.00 177.10 178.49 3kqz s SER 184 N -0.69 6.70 0.41 -1.22 0.15 -1.26 -1.31 113.70 116.49 3kqz s SER 184 Ca 0.12 1.98 0.05 0.00 0.70 0.00 0.00 55.95 58.80 3kqz s SER 184 Cb -0.12 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 3kqz s SER 184 CO 0.02 -0.93 0.03 0.68 1.20 0.00 0.00 173.24 174.24 3kqz s VAL 185 N 4.08 1.49 -0.01 4.45 -7.23 0.96 -4.47 120.40 119.66 3kqz s VAL 185 Ca 0.68 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3kqz s VAL 185 Cb -0.29 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 33.97 3kqz s VAL 185 CO 0.25 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 175.06 3kqz s ALA 186 N -2.93 0.03 0.01 1.32 0.00 -0.71 -1.10 121.76 118.37 3kqz s ALA 186 Ca 0.28 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.41 3kqz s ALA 186 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3kqz s ALA 186 CO 0.14 -0.04 -0.14 0.08 0.00 0.00 0.00 175.76 175.79 3kqz s VAL 187 N 0.42 1.13 0.00 0.00 1.01 0.39 -0.12 120.40 123.24 3kqz s VAL 187 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3kqz s VAL 187 Cb -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3kqz s VAL 187 CO -0.01 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3kqz n GLY 188 N 2.36 2.10 3.39 4.51 0.00 0.39 -0.45 105.19 117.48 3kqz n GLY 188 Ca -0.16 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.20 -0.43 -0.10 1.61 1.13 -0.67 -1.40 117.35 113.29 3kqz s TYR 189 Ca 0.00 0.26 0.01 0.00 -1.41 0.00 0.00 57.07 55.93 3kqz s TYR 189 Cb 0.00 0.43 0.02 0.00 -1.10 0.00 0.00 41.96 41.31 3kqz s TYR 189 CO 0.00 -0.76 -0.13 0.08 -2.51 0.00 0.00 175.55 172.23 3kqz s VAL 190 N -3.44 1.32 0.08 -3.49 1.01 -0.63 -2.79 120.40 112.46 3kqz s VAL 190 Ca -0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 3kqz s VAL 190 Cb -0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 3kqz s VAL 190 CO -0.10 0.41 1.62 -0.83 0.00 0.00 0.00 175.10 176.19 3kqz s GLY 191 N 1.05 1.59 -0.09 4.51 0.00 0.26 -2.81 107.32 111.83 3kqz s GLY 191 Ca -0.06 1.21 0.16 0.00 0.00 0.00 0.00 44.72 46.03 3kqz s GLY 191 CO -0.02 2.81 1.47 0.00 0.00 0.00 0.00 173.10 177.35 3kqz n GLY 193 N 0.55 -1.27 0.00 0.00 0.00 0.95 -4.52 105.19 100.90 3kqz n GLY 193 Ca 0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 0.18 1.74 -4.42 1.61 3.41 -1.26 -1.04 113.62 113.85 3kqz n SER 194 Ca 0.00 -1.87 -0.34 0.00 -0.26 0.00 0.00 58.87 56.40 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 -0.87 3.55 -0.20 -3.33 1.01 -1.26 -2.47 120.40 116.83 3kqz s VAL 195 Ca 0.00 -0.47 0.28 0.00 0.00 0.00 0.00 61.98 61.79 3kqz s VAL 195 Cb 0.00 -2.56 0.31 0.00 0.00 0.00 0.00 36.38 34.14 3kqz s VAL 195 CO 0.00 0.48 1.84 0.00 0.00 0.00 0.00 175.10 177.42 3kqz h ALA 196 N 7.05 1.00 -3.05 5.51 0.00 -1.93 -3.37 119.26 124.48 3kqz h ALA 196 Ca -0.32 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.88 3kqz h ALA 196 Cb 1.19 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 3kqz h ALA 196 CO 0.60 0.00 -0.34 -0.51 0.00 0.00 0.00 179.25 179.00 3kqz s ASP 197 N -4.84 5.49 0.23 0.00 1.11 -1.26 -4.52 116.67 112.89 3kqz s ASP 197 Ca 0.02 -2.57 -0.31 0.00 0.18 0.00 0.00 52.55 49.87 3kqz s ASP 197 Cb 0.09 -1.91 -0.12 0.00 1.07 0.00 0.00 42.92 42.05 3kqz s ASP 197 CO 0.45 -0.47 1.67 -0.76 1.18 0.00 0.00 175.17 177.23 3kqz s LEU 198 N 0.36 4.36 0.65 1.23 2.01 -1.26 -5.01 118.68 121.02 3kqz s LEU 198 Ca 0.14 2.88 -0.06 0.00 0.01 0.00 0.00 54.13 57.09 3kqz s LEU 198 Cb -0.20 -3.61 0.03 0.00 0.01 0.00 0.00 46.19 42.42 3kqz s LEU 198 CO -0.04 -0.94 0.97 -0.94 1.01 0.00 0.00 176.35 176.41 3kqz s SER 199 N 0.93 5.21 0.23 2.29 1.04 -1.26 -4.89 113.70 117.25 3kqz s SER 199 Ca 0.70 0.61 -0.07 0.00 0.48 0.00 0.00 55.95 57.67 3kqz s SER 199 Cb -0.49 -1.43 0.38 0.00 0.10 0.00 0.00 66.02 64.59 3kqz s SER 199 CO 0.38 -1.34 1.69 -0.08 0.98 0.00 0.00 173.24 174.87 3kqz h GLU 200 N -0.40 0.25 -0.22 4.02 4.22 -1.95 0.15 114.58 120.65 3kqz h GLU 200 Ca -0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 58.96 3kqz h GLU 200 Cb 1.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3kqz h GLU 200 CO 0.61 0.17 0.07 0.00 -2.18 0.00 0.00 179.01 177.67 3kqz h ALA 201 N 1.56 0.29 -0.62 2.92 0.00 -1.94 -1.45 119.26 120.02 3kqz h ALA 201 Ca 0.37 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3kqz h ALA 201 Cb 0.60 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3kqz h ALA 201 CO -0.47 -0.09 0.30 -0.44 0.00 0.00 0.00 179.25 178.55 3kqz h ASP 202 N 0.19 0.39 -0.23 0.00 3.32 -1.74 -2.20 116.42 116.15 3kqz h ASP 202 Ca 0.07 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3kqz h ASP 202 Cb 0.23 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3kqz h ASP 202 CO -0.00 0.25 -0.11 -0.03 -1.72 0.00 0.00 179.24 177.63 3kqz h MET 203 N 0.54 0.62 -0.76 3.56 4.05 -0.35 0.44 114.93 123.02 3kqz h MET 203 Ca 0.29 -0.18 0.10 0.00 -0.28 0.00 0.00 59.70 59.63 3kqz h MET 203 Cb 0.27 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.93 3kqz h MET 203 CO -0.23 0.71 0.40 0.87 0.23 0.00 0.00 176.91 178.89 3kqz h LYS 204 N 0.57 0.65 -0.28 0.39 6.56 -0.89 0.98 116.57 124.55 3kqz h LYS 204 Ca 0.10 -0.04 -0.15 0.00 -1.06 0.00 0.00 60.65 59.50 3kqz h LYS 204 Cb 0.52 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 3kqz h LYS 204 CO 0.03 0.43 -0.44 0.00 -2.06 0.00 0.00 179.45 177.41 3kqz h ARG 205 N 0.67 0.72 -0.26 3.15 2.47 -0.34 0.30 114.38 121.10 3kqz h ARG 205 Ca 0.37 -0.40 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3kqz h ARG 205 Cb 0.38 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3kqz h ARG 205 CO -0.27 1.01 0.07 0.28 0.56 0.00 0.00 179.97 181.62 3kqz h VAL 206 N 0.58 1.21 -0.78 2.04 2.07 -0.93 -2.22 116.25 118.22 3kqz h VAL 206 Ca 0.04 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3kqz h VAL 206 Cb 0.99 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3kqz h VAL 206 CO 0.09 0.22 0.48 0.58 0.02 0.00 0.00 177.57 178.97 3kqz h VAL 207 N 0.25 1.22 -0.66 2.57 2.07 -0.24 0.01 116.25 121.46 3kqz h VAL 207 Ca 0.08 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3kqz h VAL 207 Cb 0.28 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3kqz h VAL 207 CO 0.00 0.23 0.21 -0.07 0.02 0.00 0.00 177.57 177.95 3kqz h LEU 208 N 1.07 0.94 -0.54 2.57 4.07 -0.87 0.55 115.31 123.11 3kqz h LEU 208 Ca 0.28 -0.16 -0.11 0.00 0.08 0.00 0.00 57.88 57.97 3kqz h LEU 208 Cb -0.05 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 3kqz h LEU 208 CO -0.05 0.88 -0.09 -1.28 -1.08 0.00 0.00 178.44 176.81 3kqz h SER 209 N 0.98 1.01 -0.43 -0.43 0.87 -0.77 -0.01 113.55 114.77 3kqz h SER 209 Ca 0.22 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 3kqz h SER 209 Cb 0.27 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3kqz h SER 209 CO -0.01 1.12 0.13 0.25 -0.53 0.00 0.00 176.83 177.79 3kqz h LEU 210 N 0.89 0.63 -1.05 2.23 5.85 0.07 -2.91 115.31 121.02 3kqz h LEU 210 Ca 0.14 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3kqz h LEU 210 Cb 0.66 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3kqz h LEU 210 CO 0.05 0.67 0.12 0.58 -0.34 0.00 0.00 178.44 179.51 3kqz h VAL 211 N 0.55 1.22 -0.91 1.05 2.07 0.34 -1.31 116.25 119.26 3kqz h VAL 211 Ca 0.14 -0.81 0.15 0.00 0.82 0.00 0.00 66.70 67.00 3kqz h VAL 211 Cb 0.27 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3kqz h VAL 211 CO -0.00 0.30 0.59 0.74 0.02 0.00 0.00 177.57 179.21 3kqz h THR 212 N 0.77 0.82 -0.01 2.57 2.02 -0.80 -0.41 112.91 117.87 3kqz h THR 212 Ca 0.17 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.90 3kqz h THR 212 Cb 0.30 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3kqz h THR 212 CO -0.00 0.13 -0.87 0.24 0.37 0.00 0.00 175.52 175.38 3kqz h MET 213 N 0.70 0.28 -0.23 6.66 2.07 -1.19 -3.24 114.93 119.99 3kqz h MET 213 Ca 0.47 -0.30 -0.16 0.00 -2.07 0.00 0.00 59.70 57.64 3kqz h MET 213 Cb 0.75 0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.56 3kqz h MET 213 CO -0.22 1.00 -0.52 -0.07 1.07 0.00 0.00 176.91 178.16 3kqz h LEU 214 N 0.16 0.73 0.00 1.22 3.38 -0.77 -2.68 115.31 117.35 3kqz h LEU 214 Ca -0.05 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kqz h LEU 214 Cb 1.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3kqz h LEU 214 CO 0.14 1.12 0.00 1.41 0.09 0.00 0.00 178.44 181.20 3kqz n HIS 215 N -3.99 0.00 -0.96 1.13 8.25 -0.26 -1.44 115.22 117.95 3kqz n HIS 215 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.46 3kqz n HIS 215 Cb 0.60 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.75 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 -0.90 1.38 -4.54 0.41 -0.08 -1.03 -4.25 116.55 107.53 3kqz n ASP 216 Ca 0.11 -2.22 -0.33 0.00 -1.51 0.00 0.00 54.79 50.83 3kqz n ASP 216 Cb 0.05 -0.19 -0.12 0.00 2.34 0.00 0.00 41.12 43.20 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 -1.50 4.40 -0.09 1.67 2.47 -0.52 -4.83 114.94 116.54 3kqz s ASN 217 Ca 0.11 -0.10 0.13 0.00 0.42 0.00 0.00 52.86 53.42 3kqz s ASN 217 Cb 0.10 -1.03 0.20 0.00 -1.45 0.00 0.00 41.25 39.07 3kqz s ASN 217 CO 0.01 0.35 1.09 0.29 -3.72 0.00 0.00 177.10 175.12 3kqz n LYS 218 N 2.19 1.26 -3.13 0.43 5.02 -1.26 -2.08 118.16 120.58 3kqz n LYS 218 Ca -0.17 -2.14 -0.36 0.00 -2.02 0.00 0.00 58.31 53.61 3kqz n LYS 218 Cb 0.53 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 3kqz n LYS 218 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kqz s LEU 219 N -2.12 4.35 0.53 -0.35 1.43 -1.26 -4.81 118.68 116.45 3kqz s LEU 219 Ca 0.22 1.37 0.31 0.00 -1.03 0.00 0.00 54.13 55.01 3kqz s LEU 219 Cb 0.19 -3.53 1.18 0.00 0.03 0.00 0.00 46.19 44.07 3kqz s LEU 219 CO 0.02 0.05 1.92 -1.28 0.23 0.00 0.00 176.35 177.29 3kqz h SER 220 N 3.47 0.00 -3.87 2.29 0.87 -1.94 -3.41 113.55 110.97 3kqz h SER 220 Ca -0.48 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 59.67 3kqz h SER 220 Cb 1.19 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.85 3kqz h SER 220 CO 0.65 0.01 -0.78 -0.75 -0.53 0.00 0.00 176.83 175.43 3kqz s LYS 221 N -3.59 0.86 -0.17 2.24 2.20 -1.26 -0.07 119.74 119.95 3kqz s LYS 221 Ca 0.02 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 3kqz s LYS 221 Cb 0.08 -0.82 0.02 0.00 -1.51 0.00 0.00 37.83 35.61 3kqz s LYS 221 CO 0.57 0.13 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.33 3kqz s LEU 222 N 0.09 2.00 -0.20 5.43 2.96 -0.46 -0.84 118.68 127.67 3kqz s LEU 222 Ca -0.01 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 3kqz s LEU 222 Cb -0.07 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3kqz s LEU 222 CO 0.00 -0.01 0.06 -0.89 -1.32 0.00 0.00 176.35 174.20 3kqz s THR 223 N 1.30 4.67 -0.21 3.68 2.01 0.60 -0.16 115.64 127.52 3kqz s THR 223 Ca 0.04 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 3kqz s THR 223 Cb -0.13 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 3kqz s THR 223 CO -0.11 0.43 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.50 3kqz s VAL 224 N 0.69 3.34 -0.25 3.82 1.01 0.87 0.22 120.40 130.12 3kqz s VAL 224 Ca 0.03 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 3kqz s VAL 224 Cb -0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3kqz s VAL 224 CO 0.02 0.43 0.07 -0.69 0.00 0.00 0.00 175.10 174.93 3kqz s VAL 225 N 1.37 4.36 -0.88 2.92 1.01 0.50 -0.46 120.40 129.21 3kqz s VAL 225 Ca 0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 3kqz s VAL 225 Cb -0.14 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.33 3kqz s VAL 225 CO -0.03 0.34 1.07 -0.36 0.00 0.00 0.00 175.10 176.13 3kqz s PHE 226 N 1.55 3.10 -0.32 5.22 0.40 -0.05 0.43 117.98 128.31 3kqz s PHE 226 Ca 0.06 -1.32 0.02 0.00 -0.60 0.00 0.00 56.93 55.09 3kqz s PHE 226 Cb -0.15 -4.24 0.43 0.00 0.51 0.00 0.00 43.02 39.57 3kqz s PHE 226 CO 0.04 -1.47 1.67 0.39 0.70 0.00 0.00 175.22 176.55 3kqz n GLU 227 N 6.51 1.88 -4.45 0.44 1.02 -0.23 -4.72 120.64 121.09 3kqz n GLU 227 Ca 0.19 -2.05 -0.24 0.00 -0.02 0.00 0.00 57.16 55.04 3kqz n GLU 227 Cb 0.48 -1.80 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.35 0.39 -0.17 -3.67 -4.36 -1.23 -4.45 121.20 105.37 3kqz s ILE 228 Ca 0.39 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 3kqz s ILE 228 Cb 0.33 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.67 3kqz s ILE 228 CO 0.06 0.00 -0.18 0.21 0.24 0.00 0.00 174.94 175.27 3kqz s ASN 229 N -3.54 3.34 0.04 4.36 2.47 -1.26 -4.92 114.94 115.43 3kqz s ASN 229 Ca 0.28 -0.58 0.04 0.00 0.42 0.00 0.00 52.86 53.02 3kqz s ASN 229 Cb 0.02 -1.51 -0.02 0.00 -1.45 0.00 0.00 41.25 38.29 3kqz s ASN 229 CO 0.18 0.04 -0.11 0.68 -3.72 0.00 0.00 177.10 174.17 3kqz s VAL 230 N 1.09 0.84 0.75 -5.21 -7.23 -1.26 -4.70 120.40 104.69 3kqz s VAL 230 Ca -0.00 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.04 3kqz s VAL 230 Cb -0.14 -0.82 0.07 0.00 0.56 0.00 0.00 36.38 36.05 3kqz s VAL 230 CO -0.07 -0.18 1.09 1.51 -0.31 0.00 0.00 175.10 177.13 3kqz s ASP 231 N -1.36 4.66 0.16 4.85 3.84 -1.26 -4.81 116.67 122.75 3kqz s ASP 231 Ca -0.03 0.57 -0.22 0.00 -0.00 0.00 0.00 52.55 52.87 3kqz s ASP 231 Cb -0.09 -1.15 0.06 0.00 -1.38 0.00 0.00 42.92 40.36 3kqz s ASP 231 CO 0.01 -1.74 1.62 0.11 -0.00 0.00 0.00 175.17 175.17 3kqz h LYS 232 N -0.80 -0.21 -0.85 2.11 1.57 -1.99 -0.30 116.57 116.10 3kqz h LYS 232 Ca -0.45 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 3kqz h LYS 232 Cb 1.32 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.64 3kqz h LYS 232 CO 0.62 -0.14 0.44 -0.91 -0.57 0.00 0.00 179.45 178.89 3kqz h ASN 233 N -0.22 1.08 -0.37 0.86 2.35 -1.93 -0.23 115.58 117.11 3kqz h ASN 233 Ca 0.16 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3kqz h ASN 233 Cb 0.48 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3kqz h ASN 233 CO -0.46 0.89 -0.09 0.25 -1.65 0.00 0.00 177.43 176.37 3kqz h LEU 234 N 1.19 0.79 -0.14 1.61 5.85 -1.76 0.49 115.31 123.35 3kqz h LEU 234 Ca 0.29 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3kqz h LEU 234 Cb 0.07 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3kqz h LEU 234 CO -0.04 0.91 -0.04 0.15 -0.34 0.00 0.00 178.44 179.08 3kqz h PHE 235 N 0.73 0.31 -0.99 1.25 3.57 -0.58 0.22 116.94 121.45 3kqz h PHE 235 Ca 0.13 -0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3kqz h PHE 235 Cb 0.57 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 3kqz h PHE 235 CO 0.03 0.57 0.62 -0.09 -2.23 0.00 0.00 178.31 177.21 3kqz h ARG 236 N -0.05 0.96 -0.50 1.11 2.43 -0.86 -0.67 114.38 116.80 3kqz h ARG 236 Ca 0.03 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3kqz h ARG 236 Cb 0.48 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3kqz h ARG 236 CO 0.02 0.63 -0.01 0.35 -1.51 0.00 0.00 179.97 179.45 3kqz h PHE 237 N 0.98 0.98 -0.44 2.20 3.57 -0.22 -0.53 116.94 123.48 3kqz h PHE 237 Ca 0.49 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.88 3kqz h PHE 237 Cb 0.48 -0.25 -0.09 0.00 2.79 0.00 0.00 35.95 38.87 3kqz h PHE 237 CO -0.01 0.92 -0.50 0.35 -2.23 0.00 0.00 178.31 176.83 3kqz h PHE 238 N 0.76 -1.51 -0.30 0.41 3.57 0.62 0.11 116.94 120.60 3kqz h PHE 238 Ca 0.14 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3kqz h PHE 238 Cb 0.53 0.72 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 3kqz h PHE 238 CO 0.04 -0.47 0.20 -0.07 -2.23 0.00 0.00 178.31 175.78 3kqz h LEU 239 N -0.35 0.35 -0.55 0.59 3.38 -0.62 0.38 115.31 118.49 3kqz h LEU 239 Ca 0.11 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3kqz h LEU 239 Cb 0.59 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3kqz h LEU 239 CO -0.61 0.26 0.30 -0.33 0.09 0.00 0.00 178.44 178.15 3kqz h GLU 240 N 0.40 0.57 -0.28 1.13 5.08 -0.97 0.37 114.58 120.88 3kqz h GLU 240 Ca 0.11 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3kqz h GLU 240 Cb -0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3kqz h GLU 240 CO -0.02 0.38 -0.19 1.15 -1.00 0.00 0.00 179.01 179.32 3kqz h THR 241 N 0.58 1.30 -0.52 1.13 2.02 -0.33 0.19 112.91 117.28 3kqz h THR 241 Ca 0.24 -1.32 0.06 0.00 0.77 0.00 0.00 66.41 66.16 3kqz h THR 241 Cb 0.11 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 3kqz h THR 241 CO -0.14 0.42 0.23 0.25 0.37 0.00 0.00 175.52 176.64 3kqz h LEU 242 N 0.36 0.29 -0.01 2.58 5.85 0.08 0.60 115.31 125.05 3kqz h LEU 242 Ca 0.06 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kqz h LEU 242 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 3kqz h LEU 242 CO 0.05 0.19 -0.00 -0.26 -0.34 0.00 0.00 178.44 178.09 3kqz h PHE 243 N 0.44 0.02 -0.28 1.25 0.04 0.22 0.05 116.94 118.68 3kqz h PHE 243 Ca 0.24 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.03 3kqz h PHE 243 Cb 0.22 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3kqz h PHE 243 CO -0.13 0.33 0.14 -0.92 -0.60 0.00 0.00 178.31 177.13 3kqz h TYR 244 N -0.31 0.26 -0.18 -0.55 3.20 -0.42 -1.83 116.97 117.15 3kqz h TYR 244 Ca 0.00 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 3kqz h TYR 244 Cb 0.33 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3kqz h TYR 244 CO 0.04 0.14 -0.52 0.93 -1.64 0.00 0.00 178.16 177.11 3kqz h GLU 245 N 0.29 0.49 -0.27 1.82 4.39 -0.81 -3.20 114.58 117.30 3kqz h GLU 245 Ca 0.11 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 3kqz h GLU 245 Cb 0.03 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3kqz h GLU 245 CO -0.08 0.89 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.69 3kqz h TYR 246 N 0.39 0.57 -2.29 4.33 3.20 -0.69 -3.42 116.97 119.06 3kqz h TYR 246 Ca 0.01 -0.12 -0.58 0.00 3.14 0.00 0.00 58.73 61.19 3kqz h TYR 246 Cb 1.04 -0.14 0.05 0.00 1.54 0.00 0.00 36.73 39.21 3kqz h TYR 246 CO 0.04 0.71 0.94 -0.12 -1.64 0.00 0.00 178.16 178.09 3kqz n MET 247 N -4.54 2.33 -4.75 1.82 1.56 -0.71 -5.00 117.12 107.83 3kqz n MET 247 Ca -0.03 0.85 -0.31 0.00 -0.27 0.00 0.00 57.70 57.93 3kqz n MET 247 Cb 0.30 -2.66 -0.13 0.00 2.15 0.00 0.00 33.22 32.87 3kqz n MET 247 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3kqz s THR 248 N 2.00 2.71 -0.50 1.12 -4.23 -1.26 -4.96 115.64 110.52 3kqz s THR 248 Ca 0.82 -1.15 -0.20 0.00 -1.18 0.00 0.00 61.69 59.99 3kqz s THR 248 Cb -0.63 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.15 3kqz s THR 248 CO 0.40 0.38 0.64 -0.62 -0.54 0.00 0.00 174.62 174.89 3kqz s ASP 249 N -1.29 6.24 0.00 3.99 -1.08 -1.26 -4.90 116.67 118.38 3kqz s ASP 249 Ca 0.14 -0.79 0.14 0.00 -0.52 0.00 0.00 52.55 51.51 3kqz s ASP 249 Cb -0.10 -2.30 0.22 0.00 -1.46 0.00 0.00 42.92 39.27 3kqz s ASP 249 CO 0.04 -0.89 1.09 -0.62 0.52 0.00 0.00 175.17 175.31 3kqz n GLU 250 N 6.24 1.67 -0.10 4.34 4.71 -1.26 -4.74 120.64 131.50 3kqz n GLU 250 Ca -0.05 -1.66 0.11 0.00 -0.01 0.00 0.00 57.16 55.55 3kqz n GLU 250 Cb 0.46 -1.29 0.47 0.00 -1.01 0.00 0.00 31.44 30.07 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 2.64 0.46 -0.65 3.49 3.08 -1.98 -1.29 114.38 120.13 3kqz h ARG 251 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kqz h ARG 251 Cb 0.66 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3kqz h ARG 251 CO 0.00 0.30 0.00 1.19 -1.07 0.00 0.00 179.97 180.39 3kqz n PHE 252 N -4.48 1.01 -3.60 3.04 3.01 -1.26 -4.93 117.46 110.25 3kqz n PHE 252 Ca 0.10 -0.53 -0.37 0.00 1.01 0.00 0.00 57.45 57.65 3kqz n PHE 252 Cb 0.35 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.70 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 -1.21 3.78 -0.45 -1.08 -0.14 -0.49 -5.26 119.74 114.89 3kqz s LYS 253 Ca 0.45 0.25 0.04 0.00 -1.36 0.00 0.00 55.97 55.36 3kqz s LYS 253 Cb 0.25 -3.20 0.64 0.00 -1.68 0.00 0.00 37.83 33.85 3kqz s LYS 253 CO 0.28 0.71 1.88 -1.13 -0.76 0.00 0.00 175.35 176.33 3kqz n SER 254 N 1.79 3.87 0.00 2.83 3.41 -1.26 -5.04 113.62 119.21 3kqz n SER 254 Ca -0.15 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 3kqz n SER 254 Cb 0.53 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.13 0.00 -4.08 4.04 0.23 -1.26 -5.19 115.26 107.87 3kqz n ASN 260 Ca 0.58 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.52 3kqz n ASN 260 Cb 1.55 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 39.17 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 -0.97 1.23 0.04 -3.83 0.00 -1.26 -3.86 119.30 110.65 3kqz s MET 261 Ca 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 55.69 54.33 3kqz s MET 261 Cb 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 34.83 35.15 3kqz s MET 261 CO 0.00 -0.44 -0.08 -1.21 0.00 0.00 0.00 175.02 173.29 3kqz s GLU 262 N -4.06 0.56 0.10 3.16 2.02 -0.88 -4.94 118.70 114.66 3kqz s GLU 262 Ca 0.27 -0.73 -0.31 0.00 0.02 0.00 0.00 54.97 54.22 3kqz s GLU 262 Cb 0.04 -0.38 -0.07 0.00 0.10 0.00 0.00 34.13 33.83 3kqz s GLU 262 CO 0.06 0.07 1.22 0.71 0.02 0.00 0.00 175.26 177.35 3kqz s TYR 263 N -1.25 3.41 0.73 1.61 2.02 -1.26 -4.61 117.35 117.99 3kqz s TYR 263 Ca -0.08 1.29 -0.16 0.00 -0.37 0.00 0.00 57.07 57.75 3kqz s TYR 263 Cb -0.09 -3.46 0.03 0.00 -0.40 0.00 0.00 41.96 38.04 3kqz s TYR 263 CO 0.01 -1.41 1.23 0.44 -1.57 0.00 0.00 175.55 174.25 3kqz n ILE 264 N 3.56 3.51 0.51 2.71 -5.35 -1.26 -4.94 119.36 118.10 3kqz n ILE 264 Ca 0.08 -0.36 0.10 0.00 -0.27 0.00 0.00 62.75 62.30 3kqz n ILE 264 Cb 0.45 -1.33 -0.13 0.00 -1.74 0.00 0.00 39.64 36.89 3kqz n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqz n LYS 265 N -2.52 0.60 -3.84 6.28 4.76 0.89 -4.62 118.16 119.72 3kqz n LYS 265 Ca 0.15 -0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 3kqz n LYS 265 Cb 0.49 -1.44 -0.14 0.00 -1.84 0.00 0.00 35.03 32.10 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 -3.08 -0.02 -0.18 2.13 3.76 -0.97 -0.98 115.29 115.95 3kqz s HIS 266 Ca 0.01 0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 3kqz s HIS 266 Cb 0.14 -0.05 0.05 0.00 1.11 0.00 0.00 32.58 33.83 3kqz s HIS 266 CO 0.81 -0.04 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.47 3kqz s LEU 267 N 0.30 1.64 -0.13 0.89 2.96 0.37 -1.35 118.68 123.37 3kqz s LEU 267 Ca -0.02 -0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 53.06 3kqz s LEU 267 Cb -0.04 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 3kqz s LEU 267 CO -0.01 -0.22 0.08 -0.83 -1.32 0.00 0.00 176.35 174.05 3kqz s GLY 268 N 1.66 2.01 -0.11 7.98 0.00 0.77 -1.30 107.32 118.32 3kqz s GLY 268 Ca -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.03 3kqz s GLY 268 CO -0.07 -0.31 -0.23 0.14 0.00 0.00 0.00 173.10 172.63 3kqz s VAL 269 N -0.60 2.11 -0.25 1.40 1.01 -0.20 -0.09 120.40 123.79 3kqz s VAL 269 Ca 0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3kqz s VAL 269 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3kqz s VAL 269 CO 0.02 0.55 0.09 -0.31 0.00 0.00 0.00 175.10 175.46 3kqz s TYR 270 N 0.48 3.13 0.03 5.22 1.51 0.39 -0.11 117.35 128.01 3kqz s TYR 270 Ca -0.15 -0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 55.50 3kqz s TYR 270 Cb -0.17 -2.24 0.03 0.00 -0.11 0.00 0.00 41.96 39.46 3kqz s TYR 270 CO 0.06 -0.25 0.35 -1.50 -1.11 0.00 0.00 175.55 173.09 3kqz s ILE 271 N 1.46 0.07 0.29 2.71 2.07 -0.43 -0.87 121.20 126.50 3kqz s ILE 271 Ca 0.06 -0.56 -0.29 0.00 -1.41 0.00 0.00 60.65 58.45 3kqz s ILE 271 Cb -0.15 -0.89 -0.10 0.00 0.13 0.00 0.00 42.46 41.46 3kqz s ILE 271 CO 0.05 -0.31 1.11 0.21 -1.91 0.00 0.00 174.94 174.08 3kqz s ASN 272 N -1.90 7.19 -1.27 4.50 2.47 -1.26 -1.18 114.94 123.49 3kqz s ASN 272 Ca -0.07 2.28 -0.02 0.00 0.42 0.00 0.00 52.86 55.47 3kqz s ASN 272 Cb -0.02 -2.62 0.01 0.00 -1.45 0.00 0.00 41.25 37.17 3kqz s ASN 272 CO -0.01 -0.20 0.97 0.59 -3.72 0.00 0.00 177.10 174.73 3kqz n ASN 273 N 1.05 -2.82 -0.31 -4.21 5.03 -1.26 -4.91 115.26 107.84 3kqz n ASN 273 Ca -0.01 -0.66 0.09 0.00 0.87 0.00 0.00 54.58 54.88 3kqz n ASN 273 Cb 0.45 -4.82 0.21 0.00 -1.02 0.00 0.00 39.78 34.60 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 0.92 0.92 0.00 5.41 0.00 -1.80 -2.10 119.26 122.60 3kqz h ALA 274 Ca -0.59 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kqz h ALA 274 Cb 1.35 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 3kqz h ALA 274 CO 0.53 -0.48 -0.02 -0.44 0.00 0.00 0.00 179.25 178.85 3kqz h ASP 275 N 0.04 0.00 1.34 0.00 3.32 -1.90 0.55 116.42 119.78 3kqz h ASP 275 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3kqz h ASP 275 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3kqz h ASP 275 CO -0.84 0.02 -0.42 0.71 -1.72 0.00 0.00 179.24 176.98 3kqz h THR 276 N 0.00 0.00 0.00 0.35 1.35 -1.76 -3.31 112.91 109.54 3kqz h THR 276 Ca -0.00 -0.77 -0.13 0.00 -0.55 0.00 0.00 66.41 64.96 3kqz h THR 276 Cb 0.03 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 3kqz h THR 276 CO 0.00 0.00 -0.78 1.88 -0.25 0.00 0.00 175.52 176.37 3kqz h TYR 277 N 0.00 0.00 -0.75 4.73 0.05 0.12 -3.37 116.97 117.75 3kqz h TYR 277 Ca 0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.93 3kqz h TYR 277 Cb 0.88 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.57 3kqz h TYR 277 CO 0.00 0.56 0.50 0.87 -1.05 0.00 0.00 178.16 179.04 3kqz h LYS 278 N 0.00 0.41 0.00 4.88 1.57 -1.49 -0.81 116.57 121.13 3kqz h LYS 278 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kqz h LYS 278 Cb 1.46 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3kqz h LYS 278 CO 0.06 0.27 0.00 1.05 -0.57 0.00 0.00 179.45 180.26 3kqz h GLU 279 N 0.42 0.00 0.00 3.15 4.11 -1.81 -2.86 114.58 117.60 3kqz h GLU 279 Ca 0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.75 3kqz h GLU 279 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3kqz h GLU 279 CO -0.12 0.00 -0.21 0.93 0.07 0.00 0.00 179.01 179.68 3kqz h GLU 280 N 0.00 0.00 0.18 1.06 4.39 -1.40 -3.36 114.58 115.44 3kqz h GLU 280 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kqz h GLU 280 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3kqz h GLU 280 CO 0.00 0.21 -0.09 0.28 -1.16 0.00 0.00 179.01 178.26 3kqz h VAL 281 N 0.00 0.87 0.00 3.13 2.07 -1.62 0.36 116.25 121.07 3kqz h VAL 281 Ca -0.00 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 3kqz h VAL 281 Cb 0.87 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3kqz h VAL 281 CO 0.03 0.05 -0.64 -0.33 0.02 0.00 0.00 177.57 176.70 3kqz h GLU 282 N -0.34 0.00 -0.40 1.57 4.39 -1.79 0.17 114.58 118.17 3kqz h GLU 282 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3kqz h GLU 282 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3kqz h GLU 282 CO 0.04 0.64 0.25 -0.22 -1.16 0.00 0.00 179.01 178.56 3kqz h LYS 283 N 0.00 0.54 -0.80 2.33 3.64 -1.64 -1.28 116.57 119.36 3kqz h LYS 283 Ca -0.01 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3kqz h LYS 283 Cb 1.36 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 3kqz h LYS 283 CO 0.08 0.39 0.51 0.00 -2.27 0.00 0.00 179.45 178.15 3kqz h ALA 284 N 1.12 1.05 -0.11 5.00 0.00 0.22 0.16 119.26 126.70 3kqz h ALA 284 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3kqz h ALA 284 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3kqz h ALA 284 CO -0.03 0.31 -0.24 -0.09 0.00 0.00 0.00 179.25 179.20 3kqz h ARG 285 N 0.98 0.19 -0.03 0.00 2.43 -0.65 0.49 114.38 117.80 3kqz h ARG 285 Ca 0.32 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.23 3kqz h ARG 285 Cb 0.03 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3kqz h ARG 285 CO -0.12 0.43 -0.78 0.28 -1.51 0.00 0.00 179.97 178.27 3kqz h VAL 286 N 0.17 1.35 -0.47 0.20 2.07 -0.53 -2.79 116.25 116.26 3kqz h VAL 286 Ca 0.03 -2.10 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 3kqz h VAL 286 Cb 0.53 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 3kqz h VAL 286 CO 0.04 0.63 0.13 1.88 0.02 0.00 0.00 177.57 180.27 3kqz h TYR 287 N 0.17 0.71 -0.65 1.57 -1.99 -0.22 -1.34 116.97 115.21 3kqz h TYR 287 Ca -0.09 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.61 3kqz h TYR 287 Cb 1.45 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 39.93 3kqz h TYR 287 CO 0.12 0.60 0.41 -0.92 -0.00 0.00 0.00 178.16 178.37 3kqz h TYR 288 N 0.68 0.77 0.12 4.88 3.20 0.03 -2.37 116.97 124.27 3kqz h TYR 288 Ca 0.16 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.75 3kqz h TYR 288 Cb 0.24 -0.25 0.03 0.00 1.54 0.00 0.00 36.73 38.28 3kqz h TYR 288 CO 0.01 0.45 -1.24 0.35 -1.64 0.00 0.00 178.16 176.09 3kqz h PHE 289 N 0.81 0.95 -0.66 -3.82 3.57 -1.00 0.40 116.94 117.19 3kqz h PHE 289 Ca 0.26 -0.60 0.14 0.00 3.53 0.00 0.00 57.97 61.29 3kqz h PHE 289 Cb -0.00 -0.07 -0.12 0.00 2.79 0.00 0.00 35.95 38.54 3kqz h PHE 289 CO -0.04 1.45 -0.10 0.78 -2.23 0.00 0.00 178.31 178.16 3kqz h GLY 290 N 0.46 0.56 0.80 2.40 0.00 -1.31 0.85 103.07 106.83 3kqz h GLY 290 Ca -0.18 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 3kqz h GLY 290 CO 0.23 -0.24 -0.16 -0.84 0.00 0.00 0.00 176.54 175.53 3kqz h THR 291 N 0.04 1.33 -0.80 4.70 2.02 -1.09 -1.38 112.91 117.73 3kqz h THR 291 Ca 0.33 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3kqz h THR 291 Cb 0.52 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 3kqz h THR 291 CO -0.64 0.39 0.46 0.22 0.37 0.00 0.00 175.52 176.33 3kqz h TYR 292 N 0.10 1.07 0.06 3.16 3.20 0.19 -0.00 116.97 124.76 3kqz h TYR 292 Ca 0.03 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kqz h TYR 292 Cb 0.69 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3kqz h TYR 292 CO 0.08 0.73 -0.03 -0.92 -1.64 0.00 0.00 178.16 176.38 3kqz h TYR 293 N 1.10 -0.08 -0.57 -3.82 3.20 0.85 0.04 116.97 117.69 3kqz h TYR 293 Ca 0.28 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.25 3kqz h TYR 293 Cb -0.01 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 3kqz h TYR 293 CO -0.00 0.16 0.16 0.00 -1.64 0.00 0.00 178.16 176.84 3kqz h ALA 294 N 0.60 0.69 -0.91 1.82 0.00 -1.16 0.27 119.26 120.58 3kqz h ALA 294 Ca -0.01 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.14 3kqz h ALA 294 Cb 0.28 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3kqz h ALA 294 CO 0.01 -0.27 0.53 1.03 0.00 0.00 0.00 179.25 180.55 3kqz h SER 295 N 0.31 0.71 0.16 0.00 0.87 -0.53 0.19 113.55 115.27 3kqz h SER 295 Ca 0.29 0.07 -0.12 0.00 -1.23 0.00 0.00 61.79 60.81 3kqz h SER 295 Cb 0.40 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3kqz h SER 295 CO -0.34 0.35 -0.42 1.56 -0.53 0.00 0.00 176.83 177.45 3kqz h GLN 296 N 0.79 0.32 -0.17 2.24 4.20 0.15 0.38 115.11 123.03 3kqz h GLN 296 Ca 0.47 -0.16 -0.18 0.00 0.06 0.00 0.00 58.65 58.85 3kqz h GLN 296 Cb 0.57 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.35 3kqz h GLN 296 CO -0.31 0.69 -0.59 -0.07 -0.67 0.00 0.00 178.83 177.88 3kqz h LEU 297 N 0.27 0.80 -0.24 1.46 3.38 -0.32 -2.08 115.31 118.57 3kqz h LEU 297 Ca 0.02 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 3kqz h LEU 297 Cb 0.85 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kqz h LEU 297 CO 0.07 1.27 0.03 0.40 0.09 0.00 0.00 178.44 180.30 3kqz h ILE 298 N 0.38 1.24 0.00 1.22 2.04 -0.01 -2.94 117.51 119.44 3kqz h ILE 298 Ca -0.03 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 3kqz h ILE 298 Cb 1.21 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 3kqz h ILE 298 CO 0.12 0.25 -0.25 0.00 0.00 0.00 0.00 178.15 178.28 3kqz h ALA 299 N 0.84 1.21 -1.94 1.87 0.00 -0.30 -3.40 119.26 117.54 3kqz h ALA 299 Ca 0.07 -0.23 -0.64 0.00 0.00 0.00 0.00 54.91 54.11 3kqz h ALA 299 Cb 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kqz h ALA 299 CO 0.01 0.31 0.99 0.00 0.00 0.00 0.00 179.25 180.56 3kqz n ALA 300 N -2.32 0.61 -0.95 0.00 0.00 -0.78 -4.92 120.51 112.14 3kqz n ALA 300 Ca -0.01 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 3kqz n ALA 300 Cb 0.36 -2.40 0.16 0.00 0.00 0.00 0.00 19.45 17.57 3kqz n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqz s PRO 301 N 3.40 0.92 0.57 0.00 0.02 -1.26 -4.59 135.00 134.06 3kqz s PRO 301 Ca 0.92 1.08 0.35 0.00 0.02 0.00 0.00 61.00 63.37 3kqz s PRO 301 Cb -0.79 -1.75 1.53 0.00 0.02 0.00 0.00 34.50 33.51 3kqz s PRO 301 CO 0.53 -2.55 2.05 0.77 -0.33 0.00 0.00 177.00 177.47 3kqz h SER 302 N -1.78 0.00 1.49 2.53 0.02 -1.81 0.36 113.55 114.35 3kqz h SER 302 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 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 0.50 0.00 0.00 -0.55 -1.14 0.00 0.00 176.83 175.64 3kqz h ASN 303 N 0.00 0.00 0.02 3.07 -1.07 -1.94 -3.31 115.58 112.35 3kqz h ASN 303 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.01 3kqz h ASN 303 Cb 0.43 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.64 3kqz h ASN 303 CO 0.00 0.00 -2.04 -1.22 0.07 0.00 0.00 177.43 174.24 3kqz n TYR 304 N -2.71 0.54 -3.46 4.14 4.01 -0.39 -4.28 117.16 115.02 3kqz n TYR 304 Ca 0.04 0.18 -0.43 0.00 -0.16 0.00 0.00 57.90 57.53 3kqz n TYR 304 Cb 0.42 -1.06 -0.07 0.00 -0.31 0.00 0.00 39.34 38.32 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 2.77 3.24 0.39 0.00 2.20 -1.26 -4.36 114.94 117.92 3kqz s ASN 306 Ca 0.07 -1.59 0.10 0.00 -0.94 0.00 0.00 52.86 50.51 3kqz s ASN 306 Cb -0.25 0.32 0.88 0.00 -2.00 0.00 0.00 41.25 40.20 3kqz s ASN 306 CO -0.01 -0.80 1.94 -0.65 -2.94 0.00 0.00 177.10 174.63 3kqz h PRO 307 N 1.71 0.58 0.18 3.55 0.11 -1.86 0.46 132.00 136.73 3kqz h PRO 307 Ca -0.40 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3kqz h PRO 307 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kqz h PRO 307 CO 0.67 0.38 -0.09 0.28 -0.21 0.00 0.00 178.00 179.03 3kqz h VAL 308 N 0.60 0.78 -0.01 3.15 2.07 -1.95 -2.18 116.25 118.71 3kqz h VAL 308 Ca 0.34 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 3kqz h VAL 308 Cb 0.53 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3kqz h VAL 308 CO -0.12 0.20 -0.37 0.77 0.02 0.00 0.00 177.57 178.06 3kqz h SER 309 N -0.87 0.02 -0.06 0.57 4.64 -1.81 -0.02 113.55 116.02 3kqz h SER 309 Ca -0.03 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 3kqz h SER 309 Cb 0.51 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3kqz h SER 309 CO 0.04 0.39 -0.68 0.25 -0.87 0.00 0.00 176.83 175.96 3kqz h LEU 310 N 0.02 0.80 -0.42 5.97 5.85 -0.95 -0.38 115.31 126.18 3kqz h LEU 310 Ca -0.00 -0.49 -0.17 0.00 0.84 0.00 0.00 57.88 58.06 3kqz h LEU 310 Cb 0.67 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3kqz h LEU 310 CO 0.05 1.26 -0.54 0.77 -0.34 0.00 0.00 178.44 179.64 3kqz h SER 311 N 0.49 0.79 -0.53 1.25 4.64 -0.81 -0.90 113.55 118.48 3kqz h SER 311 Ca -0.02 -0.42 0.06 0.00 -0.47 0.00 0.00 61.79 60.94 3kqz h SER 311 Cb 1.28 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 3kqz h SER 311 CO 0.14 1.17 0.24 0.78 -0.87 0.00 0.00 176.83 178.29 3kqz h ASN 312 N 0.55 0.32 -0.19 4.97 2.35 -0.93 -0.76 115.58 121.89 3kqz h ASN 312 Ca 0.01 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kqz h ASN 312 Cb 1.11 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3kqz h ASN 312 CO 0.11 0.22 0.12 0.00 -1.65 0.00 0.00 177.43 176.23 3kqz h ALA 313 N 1.31 0.23 -0.74 -0.83 0.00 -0.75 -0.15 119.26 118.33 3kqz h ALA 313 Ca 0.24 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.27 3kqz h ALA 313 Cb 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 3kqz h ALA 313 CO -0.19 -0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.09 3kqz h ALA 314 N 1.07 1.04 -0.43 0.00 0.00 -0.75 0.84 119.26 121.04 3kqz h ALA 314 Ca 0.07 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3kqz h ALA 314 Cb -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kqz h ALA 314 CO -0.02 -0.15 0.08 0.28 0.00 0.00 0.00 179.25 179.44 3kqz h VAL 315 N 0.51 1.24 -0.84 0.00 2.07 -0.42 0.90 116.25 119.72 3kqz h VAL 315 Ca 0.39 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3kqz h VAL 315 Cb 0.54 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3kqz h VAL 315 CO -0.35 0.30 0.52 -0.08 0.02 0.00 0.00 177.57 177.98 3kqz h GLU 316 N 0.57 1.14 0.02 1.57 4.81 -0.38 0.77 114.58 123.08 3kqz h GLU 316 Ca 0.13 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3kqz h GLU 316 Cb 0.37 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kqz h GLU 316 CO 0.01 0.79 -0.02 1.25 -0.73 0.00 0.00 179.01 180.30 3kqz h LEU 317 N 1.15 -0.06 -0.41 1.64 5.85 -0.31 -1.61 115.31 121.56 3kqz h LEU 317 Ca 0.30 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.09 3kqz h LEU 317 Cb -0.06 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3kqz h LEU 317 CO -0.06 -0.04 0.11 0.00 -0.34 0.00 0.00 178.44 178.12 3kqz h ALA 318 N 0.93 0.47 -0.41 1.25 0.00 -0.41 -0.76 119.26 120.32 3kqz h ALA 318 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3kqz h ALA 318 Cb 0.05 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3kqz h ALA 318 CO -0.01 -0.29 -0.05 1.96 0.00 0.00 0.00 179.25 180.87 3kqz h GLN 319 N 0.26 0.05 -0.33 0.00 4.20 -0.71 0.21 115.11 118.79 3kqz h GLN 319 Ca 0.20 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 3kqz h GLN 319 Cb 0.22 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3kqz h GLN 319 CO -0.23 0.04 -0.00 0.87 -0.67 0.00 0.00 178.83 178.83 3kqz h LYS 320 N 0.06 0.52 -0.01 1.46 1.57 -0.23 -1.96 116.57 117.98 3kqz h LYS 320 Ca 0.20 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kqz h LYS 320 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kqz h LYS 320 CO -0.38 0.54 -0.37 1.28 -0.57 0.00 0.00 179.45 179.95 3kqz n LEU 321 N -4.28 1.13 -2.91 2.94 4.77 -0.41 -4.95 117.00 113.29 3kqz n LEU 321 Ca 0.01 -0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 55.47 3kqz n LEU 321 Cb 0.24 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3kqz n LEU 321 CO 0.39 0.22 0.13 0.59 -1.33 0.00 0.00 177.39 177.39 3kqz n ASN 322 N -0.71 -5.61 -4.87 -1.43 3.02 0.53 -4.95 115.26 101.24 3kqz n ASN 322 Ca 0.10 -0.37 -0.31 0.00 -0.03 0.00 0.00 54.58 53.97 3kqz n ASN 322 Cb 0.37 -4.31 -0.05 0.00 -0.61 0.00 0.00 39.78 35.18 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 -6.09 4.05 0.42 3.41 1.43 -0.01 -5.02 118.68 116.86 3kqz s LEU 323 Ca 0.40 1.06 -0.25 0.00 -1.03 0.00 0.00 54.13 54.32 3kqz s LEU 323 Cb -0.18 -3.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.09 3kqz s LEU 323 CO 0.50 -0.20 1.23 -1.61 0.23 0.00 0.00 176.35 176.50 3kqz s GLU 324 N -3.18 3.94 0.02 1.70 8.01 -0.75 -4.60 118.70 123.85 3kqz s GLU 324 Ca 0.50 1.97 -0.13 0.00 0.01 0.00 0.00 54.97 57.33 3kqz s GLU 324 Cb -0.11 -2.66 0.02 0.00 -4.31 0.00 0.00 34.13 27.07 3kqz s GLU 324 CO 0.23 -0.45 0.27 1.52 0.01 0.00 0.00 175.26 176.84 3kqz s TYR 325 N -1.36 -0.08 -0.09 1.61 -0.85 -1.26 -1.01 117.35 114.31 3kqz s TYR 325 Ca 0.58 -0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 57.07 3kqz s TYR 325 Cb -0.34 0.06 0.04 0.00 0.38 0.00 0.00 41.96 42.10 3kqz s TYR 325 CO 0.43 -0.44 0.21 0.21 -1.52 0.00 0.00 175.55 174.44 3kqz s LYS 326 N -2.15 0.17 -0.19 -3.49 2.20 -0.31 -4.99 119.74 110.98 3kqz s LYS 326 Ca -0.08 0.47 -0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3kqz s LYS 326 Cb -0.03 -0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.15 3kqz s LYS 326 CO -0.01 -0.16 -0.02 0.42 -0.36 0.00 0.00 175.35 175.22 3kqz s ILE 327 N 1.18 3.78 -0.18 5.43 -1.09 -1.26 -1.72 121.20 127.34 3kqz s ILE 327 Ca -0.09 -0.37 -0.14 0.00 -2.23 0.00 0.00 60.65 57.82 3kqz s ILE 327 Cb -0.10 -2.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 3kqz s ILE 327 CO -0.07 0.44 0.29 -0.76 -1.23 0.00 0.00 174.94 173.61 3kqz s LEU 328 N 0.94 4.21 0.69 2.97 1.43 0.76 -4.90 118.68 124.78 3kqz s LEU 328 Ca 0.01 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3kqz s LEU 328 Cb -0.14 -2.36 0.12 0.00 0.03 0.00 0.00 46.19 43.84 3kqz s LEU 328 CO 0.01 0.07 0.95 -0.83 0.23 0.00 0.00 176.35 176.78 3kqz s GLY 329 N 0.64 1.76 0.27 -3.19 0.00 -1.26 -1.05 107.32 104.49 3kqz s GLY 329 Ca 0.16 -1.77 -0.00 0.00 0.00 0.00 0.00 44.72 43.11 3kqz s GLY 329 CO 0.04 -1.23 1.71 -0.39 0.00 0.00 0.00 173.10 173.23 3kqz h VAL 330 N -0.40 0.55 -0.58 1.40 -1.51 -1.96 -0.47 116.25 113.28 3kqz h VAL 330 Ca -0.36 -0.14 -0.07 0.00 -1.23 0.00 0.00 66.70 64.91 3kqz h VAL 330 Cb 1.27 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 3kqz h VAL 330 CO 0.41 0.08 0.11 0.50 -1.23 0.00 0.00 177.57 177.43 3kqz h LYS 331 N 0.41 0.95 -0.12 5.19 3.64 -1.95 0.61 116.57 125.31 3kqz h LYS 331 Ca 0.49 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 3kqz h LYS 331 Cb 0.86 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3kqz h LYS 331 CO -0.48 0.90 -0.39 0.93 -2.27 0.00 0.00 179.45 178.14 3kqz h GLU 332 N 0.84 0.25 -0.24 1.90 5.08 -1.79 -1.38 114.58 119.24 3kqz h GLU 332 Ca 0.18 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 3kqz h GLU 332 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kqz h GLU 332 CO 0.01 0.60 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.96 3kqz h LEU 333 N 0.21 0.93 -0.66 1.33 3.38 -0.61 -0.58 115.31 119.31 3kqz h LEU 333 Ca 0.02 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3kqz h LEU 333 Cb 0.78 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kqz h LEU 333 CO 0.06 1.33 0.37 -0.33 0.09 0.00 0.00 178.44 179.96 3kqz h GLU 334 N 0.58 0.92 -0.67 1.13 5.08 -0.79 -1.04 114.58 119.79 3kqz h GLU 334 Ca -0.01 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3kqz h GLU 334 Cb 1.21 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3kqz h GLU 334 CO 0.13 0.68 0.33 0.93 -1.00 0.00 0.00 179.01 180.08 3kqz h GLU 335 N 0.90 0.94 0.00 2.33 5.08 -0.93 -0.97 114.58 121.94 3kqz h GLU 335 Ca 0.23 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kqz h GLU 335 Cb 0.02 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3kqz h GLU 335 CO -0.04 0.72 0.00 1.28 -1.00 0.00 0.00 179.01 179.97 3kqz n LEU 336 N -4.35 0.00 -1.77 1.33 4.77 -0.25 -4.90 117.00 111.84 3kqz n LEU 336 Ca 0.06 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.03 3kqz n LEU 336 Cb 0.12 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3kqz n LEU 336 CO 0.38 -0.00 -0.00 0.29 -1.33 0.00 0.00 177.39 176.73 3kqz n LYS 337 N -1.11 -2.68 -1.65 3.23 4.76 -0.37 -4.73 118.16 115.63 3kqz n LYS 337 Ca 0.20 0.51 -0.40 0.00 -2.87 0.00 0.00 58.31 55.75 3kqz n LYS 337 Cb 0.16 -4.53 -0.01 0.00 -1.84 0.00 0.00 35.03 28.80 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 -2.55 3.60 -0.03 1.97 2.81 -0.48 -2.43 117.12 120.00 3kqz n MET 338 Ca -0.07 -2.66 -0.07 0.00 -1.81 0.00 0.00 57.70 53.10 3kqz n MET 338 Cb 0.57 -2.93 0.11 0.00 -0.71 0.00 0.00 33.22 30.26 3kqz n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqz h GLY 339 N 7.72 0.69 0.97 3.03 0.00 -1.77 0.16 103.07 113.88 3kqz h GLY 339 Ca 0.71 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3kqz h GLY 339 CO 1.75 0.58 -0.06 0.00 0.00 0.00 0.00 176.54 178.81 3kqz h ALA 340 N 1.11 -0.16 0.06 3.60 0.00 -1.83 -1.28 119.26 120.77 3kqz h ALA 340 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kqz h ALA 340 Cb 0.81 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kqz h ALA 340 CO 0.07 -0.57 -0.03 -0.92 0.00 0.00 0.00 179.25 177.80 3kqz h TYR 341 N -0.19 -0.07 0.00 0.00 3.20 -1.62 -3.00 116.97 115.29 3kqz h TYR 341 Ca -0.02 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 3kqz h TYR 341 Cb 0.15 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3kqz h TYR 341 CO -0.06 0.04 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.20 3kqz h LEU 342 N -0.17 0.00 -0.73 2.82 3.38 -0.70 -2.01 115.31 117.90 3kqz h LEU 342 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3kqz h LEU 342 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kqz h LEU 342 CO 0.01 0.24 -0.04 0.28 0.09 0.00 0.00 178.44 179.02 3kqz h SER 343 N 0.00 0.91 -0.28 -0.43 0.02 -1.09 -2.70 113.55 109.98 3kqz h SER 343 Ca -0.00 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 3kqz h SER 343 Cb 0.46 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3kqz h SER 343 CO 0.03 0.99 -0.06 0.58 -1.14 0.00 0.00 176.83 177.24 3kqz h VAL 344 N 0.85 1.24 -0.02 2.27 2.07 -1.26 -3.03 116.25 118.36 3kqz h VAL 344 Ca 0.15 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3kqz h VAL 344 Cb 0.56 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3kqz h VAL 344 CO 0.03 0.34 -0.05 0.61 0.02 0.00 0.00 177.57 178.53 3kqz n GLY 345 N -0.63 0.15 0.37 2.17 0.00 -1.10 -4.27 105.19 101.88 3kqz n GLY 345 Ca 0.02 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 2.74 0.74 -0.08 1.61 1.57 -1.35 0.11 116.57 121.91 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 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kqz h LYS 346 CO 0.00 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.78 3kqz n GLY 347 N -1.42 -0.59 3.91 3.86 0.00 -1.23 -4.49 105.19 105.23 3kqz n GLY 347 Ca 0.17 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.15 6.41 0.00 1.61 0.15 0.39 -4.56 113.70 116.54 3kqz s SER 348 Ca 0.12 0.38 0.28 0.00 0.70 0.00 0.00 55.95 57.44 3kqz s SER 348 Cb 0.06 -2.01 1.27 0.00 -1.71 0.00 0.00 66.02 63.63 3kqz s SER 348 CO 0.09 0.17 1.93 1.15 1.20 0.00 0.00 173.24 177.78 3kqz n MET 349 N 0.45 0.12 -4.05 5.44 0.00 -1.26 -4.75 117.12 113.07 3kqz n MET 349 Ca -0.06 0.02 -0.35 0.00 0.00 0.00 0.00 57.70 57.31 3kqz n MET 349 Cb 0.52 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.14 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 -2.87 3.26 0.45 3.17 1.51 -1.26 -4.89 117.35 116.71 3kqz s TYR 350 Ca 0.18 0.11 -0.24 0.00 -1.01 0.00 0.00 57.07 56.10 3kqz s TYR 350 Cb 0.19 -2.03 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 3kqz s TYR 350 CO 0.49 0.23 1.23 -2.14 -1.11 0.00 0.00 175.55 174.26 3kqz s PRO 351 N 0.11 3.78 0.37 -1.71 0.02 -1.26 -4.83 135.00 131.48 3kqz s PRO 351 Ca 0.05 1.97 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 3kqz s PRO 351 Cb -0.12 -2.53 -0.10 0.00 0.02 0.00 0.00 34.50 31.76 3kqz s PRO 351 CO 0.01 -0.59 1.38 -0.80 -0.33 0.00 0.00 177.00 176.67 3kqz s ASN 352 N -1.08 6.49 -0.07 2.53 -0.87 -1.26 -4.48 114.94 116.20 3kqz s ASN 352 Ca 0.62 2.83 -0.00 0.00 -1.57 0.00 0.00 52.86 54.74 3kqz s ASN 352 Cb -0.33 -2.65 0.02 0.00 -0.02 0.00 0.00 41.25 38.26 3kqz s ASN 352 CO 0.41 -0.75 -0.04 -0.54 -2.57 0.00 0.00 177.10 173.62 3kqz s LYS 353 N -2.01 0.92 -0.24 -0.60 -0.14 -1.02 -3.82 119.74 112.83 3kqz s LYS 353 Ca 0.52 -0.07 -0.06 0.00 -1.36 0.00 0.00 55.97 55.01 3kqz s LYS 353 Cb -0.42 -1.06 -0.02 0.00 -1.68 0.00 0.00 37.83 34.65 3kqz s LYS 353 CO 0.56 -0.20 0.03 0.12 -0.76 0.00 0.00 175.35 175.11 3kqz s PHE 354 N 1.46 3.04 -0.06 3.18 2.19 -0.21 -1.31 117.98 126.27 3kqz s PHE 354 Ca -0.02 -0.62 -0.18 0.00 0.33 0.00 0.00 56.93 56.44 3kqz s PHE 354 Cb -0.13 -2.19 -0.05 0.00 -1.31 0.00 0.00 43.02 39.34 3kqz s PHE 354 CO -0.03 -0.43 0.51 0.42 1.83 0.00 0.00 175.22 177.51 3kqz s ILE 355 N 1.56 5.06 -0.35 3.12 1.01 0.13 -0.17 121.20 131.57 3kqz s ILE 355 Ca 0.06 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.76 3kqz s ILE 355 Cb -0.15 -3.84 0.15 0.00 0.01 0.00 0.00 42.46 38.63 3kqz s ILE 355 CO 0.01 0.40 0.33 -2.28 0.00 0.00 0.00 174.94 173.40 3kqz s HIS 356 N 0.05 -0.13 0.05 3.97 2.46 -0.70 -1.73 115.29 119.27 3kqz s HIS 356 Ca 0.27 -0.87 -0.05 0.00 0.47 0.00 0.00 55.06 54.88 3kqz s HIS 356 Cb -0.16 -0.52 -0.05 0.00 -0.13 0.00 0.00 32.58 31.72 3kqz s HIS 356 CO 0.13 -0.93 0.29 -0.51 -2.47 0.00 0.00 174.74 171.25 3kqz s LEU 357 N 1.53 4.34 -0.08 8.88 1.43 -0.58 -1.16 118.68 133.04 3kqz s LEU 357 Ca 0.16 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 3kqz s LEU 357 Cb -0.16 -2.89 0.01 0.00 0.03 0.00 0.00 46.19 43.18 3kqz s LEU 357 CO -0.08 0.19 -0.13 -0.89 0.23 0.00 0.00 176.35 175.67 3kqz s THR 358 N -1.43 1.24 -0.24 5.49 2.01 -0.18 0.37 115.64 122.91 3kqz s THR 358 Ca 0.32 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 3kqz s THR 358 Cb -0.13 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 3kqz s THR 358 CO 0.20 0.38 0.17 -0.47 -0.69 0.00 0.00 174.62 174.21 3kqz s TYR 359 N 0.78 3.32 -0.01 4.92 5.04 0.87 -1.80 117.35 130.47 3kqz s TYR 359 Ca -0.12 0.24 0.08 0.00 -2.44 0.00 0.00 57.07 54.83 3kqz s TYR 359 Cb -0.16 -2.28 -0.02 0.00 0.35 0.00 0.00 41.96 39.85 3kqz s TYR 359 CO 0.02 0.06 -0.26 0.21 -1.34 0.00 0.00 175.55 174.24 3kqz s LYS 360 N 1.07 2.06 0.51 4.97 2.20 -1.26 -0.42 119.74 128.87 3kqz s LYS 360 Ca 0.08 -0.96 -0.17 0.00 -0.36 0.00 0.00 55.97 54.56 3kqz s LYS 360 Cb -0.14 -2.03 -0.08 0.00 -1.51 0.00 0.00 37.83 34.08 3kqz s LYS 360 CO 0.05 0.55 0.99 -1.12 -0.36 0.00 0.00 175.35 175.46 3kqz s SER 361 N -0.71 6.55 0.19 1.43 0.01 -0.41 -4.98 113.70 115.77 3kqz s SER 361 Ca 0.10 1.63 -0.09 0.00 1.31 0.00 0.00 55.95 58.90 3kqz s SER 361 Cb -0.10 -2.52 0.11 0.00 0.21 0.00 0.00 66.02 63.72 3kqz s SER 361 CO -0.00 -0.64 1.72 0.07 0.41 0.00 0.00 173.24 174.79 3kqz h LYS 362 N 1.02 1.08 0.00 12.44 -0.00 -1.90 -3.45 116.57 125.75 3kqz h LYS 362 Ca -0.47 -0.24 0.00 0.00 -0.00 0.00 0.00 60.65 59.94 3kqz h LYS 362 Cb 1.19 -0.15 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 3kqz h LYS 362 CO 0.61 0.94 0.00 0.41 -0.00 0.00 0.00 179.45 181.41 3kqz n GLY 363 N -0.71 -1.83 3.78 0.07 0.00 -1.26 -4.99 105.19 100.25 3kqz n GLY 363 Ca 0.05 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.50 6.64 -0.24 1.61 -0.00 -1.26 -4.89 116.67 117.03 3kqz s ASP 364 Ca 0.00 2.10 -0.16 0.00 -0.00 0.00 0.00 52.55 54.49 3kqz s ASP 364 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 3kqz s ASP 364 CO 0.00 -0.58 0.40 -0.69 -0.00 0.00 0.00 175.17 174.30 3kqz s VAL 365 N -1.63 5.17 -0.01 -1.27 1.01 -1.26 -3.77 120.40 118.64 3kqz s VAL 365 Ca 0.59 0.67 0.08 0.00 0.00 0.00 0.00 61.98 63.32 3kqz s VAL 365 Cb -0.23 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 3kqz s VAL 365 CO 0.29 0.19 0.17 0.29 0.00 0.00 0.00 175.10 176.04 3kqz n LYS 366 N 4.97 0.38 -3.84 2.72 5.02 0.25 -4.93 118.16 122.73 3kqz n LYS 366 Ca -0.08 -0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 3kqz n LYS 366 Cb 0.51 -1.19 -0.16 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.55 0.13 -0.25 1.97 1.02 -0.95 -5.03 119.74 114.09 3kqz s LYS 367 Ca -0.03 0.14 -0.07 0.00 0.02 0.00 0.00 55.97 56.03 3kqz s LYS 367 Cb 0.05 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 3kqz s LYS 367 CO 0.34 -0.16 0.06 0.15 -0.92 0.00 0.00 175.35 174.82 3kqz s LYS 368 N 1.13 3.64 -0.06 1.68 1.02 -1.26 -0.69 119.74 125.21 3kqz s LYS 368 Ca -0.08 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.48 3kqz s LYS 368 Cb -0.13 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 3kqz s LYS 368 CO -0.02 -0.18 -0.24 0.42 -0.92 0.00 0.00 175.35 174.41 3kqz s ILE 369 N 1.58 2.19 -0.19 2.17 1.01 0.17 0.27 121.20 128.41 3kqz s ILE 369 Ca 0.06 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 3kqz s ILE 369 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3kqz s ILE 369 CO 0.03 0.57 0.01 0.00 0.00 0.00 0.00 174.94 175.56 3kqz s ALA 370 N -0.23 3.12 -0.22 9.38 0.00 0.08 0.44 121.76 134.33 3kqz s ALA 370 Ca -0.01 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3kqz s ALA 370 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 3kqz s ALA 370 CO 0.03 -0.03 0.05 -0.51 0.00 0.00 0.00 175.76 175.31 3kqz s LEU 371 N 0.78 3.49 -0.19 0.00 1.43 0.17 -1.57 118.68 122.78 3kqz s LEU 371 Ca 0.01 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3kqz s LEU 371 Cb -0.14 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3kqz s LEU 371 CO 0.02 0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.78 3kqz s VAL 372 N 1.19 2.32 -0.07 -1.59 1.01 0.30 -0.15 120.40 123.41 3kqz s VAL 372 Ca 0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3kqz s VAL 372 Cb -0.14 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3kqz s VAL 372 CO 0.03 0.50 -0.04 -0.83 0.00 0.00 0.00 175.10 174.76 3kqz s GLY 373 N 1.32 1.75 0.10 4.51 0.00 0.31 -0.18 107.32 115.14 3kqz s GLY 373 Ca 0.05 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.59 3kqz s GLY 373 CO -0.11 -0.64 1.37 1.25 0.00 0.00 0.00 173.10 174.98 3kqz s LYS 374 N -0.86 4.33 -0.45 2.90 2.20 -0.86 -4.07 119.74 122.93 3kqz s LYS 374 Ca 0.13 2.04 0.08 0.00 -0.36 0.00 0.00 55.97 57.86 3kqz s LYS 374 Cb -0.11 -3.29 0.28 0.00 -1.51 0.00 0.00 37.83 33.20 3kqz s LYS 374 CO 0.02 -0.43 0.65 0.41 -0.36 0.00 0.00 175.35 175.64 3kqz n GLY 375 N 3.48 3.67 3.49 5.54 0.00 -1.26 -1.38 105.19 118.74 3kqz n GLY 375 Ca 0.11 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 3kqz n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqz s ILE 376 N -2.04 5.11 0.03 -0.61 -1.09 -1.14 -0.83 121.20 120.63 3kqz s ILE 376 Ca 0.38 -0.30 0.19 0.00 -2.23 0.00 0.00 60.65 58.70 3kqz s ILE 376 Cb 0.22 -3.99 0.15 0.00 -1.58 0.00 0.00 42.46 37.25 3kqz s ILE 376 CO -0.09 -0.36 1.66 0.71 -1.23 0.00 0.00 174.94 175.64 3kqz h THR 377 N 5.69 0.75 -2.91 2.92 1.35 -1.14 -1.71 112.91 117.86 3kqz h THR 377 Ca -0.27 -1.62 -0.15 0.00 -0.55 0.00 0.00 66.41 63.81 3kqz h THR 377 Cb 1.12 2.05 -0.27 0.00 -1.73 0.00 0.00 68.15 69.32 3kqz h THR 377 CO 0.77 0.35 -0.38 0.12 -0.25 0.00 0.00 175.52 176.14 3kqz s PHE 378 N -3.38 -0.40 -0.34 4.73 5.36 -1.26 -4.33 117.98 118.35 3kqz s PHE 378 Ca 0.02 0.93 0.03 0.00 -0.96 0.00 0.00 56.93 56.95 3kqz s PHE 378 Cb 0.09 0.13 0.10 0.00 -0.34 0.00 0.00 43.02 43.00 3kqz s PHE 378 CO 0.69 -0.23 0.06 0.34 -1.46 0.00 0.00 175.22 174.62 3kqz s ASP 379 N 0.78 4.80 0.25 6.13 2.15 -1.20 -1.25 116.67 128.33 3kqz s ASP 379 Ca -0.05 -2.10 0.26 0.00 0.43 0.00 0.00 52.55 51.09 3kqz s ASP 379 Cb -0.06 -1.65 0.76 0.00 -0.30 0.00 0.00 42.92 41.67 3kqz s ASP 379 CO -0.05 -0.39 1.75 0.77 -0.17 0.00 0.00 175.17 177.08 3kqz h SER 380 N 7.67 0.00 0.00 -0.34 4.64 -1.59 -3.45 113.55 120.48 3kqz h SER 380 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3kqz h SER 380 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3kqz h SER 380 CO 0.54 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 3kqz n GLY 381 N 1.21 3.33 7.00 -0.77 0.00 -1.26 -0.64 105.19 114.06 3kqz n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -1.97 0.12 0.43 -0.02 0.00 -1.25 -1.06 105.19 101.43 3kqz n GLY 382 Ca 0.00 -0.94 0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 0.19 -0.36 1.61 0.05 -1.83 0.15 116.97 116.79 3kqz h TYR 383 Ca 0.00 0.01 -0.70 0.00 0.05 0.00 0.00 58.73 58.09 3kqz h TYR 383 Cb 0.00 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3kqz h TYR 383 CO 0.00 0.05 3.27 0.09 -1.05 0.00 0.00 178.16 180.52 3kqz n ASN 384 N -4.37 7.38 -4.66 3.88 4.13 -1.22 -4.97 115.26 115.43 3kqz n ASN 384 Ca 0.17 -2.79 -0.44 0.00 1.68 0.00 0.00 54.58 53.21 3kqz n ASN 384 Cb 0.81 -1.53 -0.01 0.00 -1.54 0.00 0.00 39.78 37.51 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqz n LEU 385 N 3.70 2.92 -4.56 3.41 7.94 0.51 -4.38 117.00 126.54 3kqz n LEU 385 Ca 0.67 1.19 -0.31 0.00 -1.11 0.00 0.00 56.01 56.45 3kqz n LEU 385 Cb 0.28 -1.41 -0.04 0.00 0.53 0.00 0.00 43.42 42.77 3kqz n LEU 385 CO 0.83 -0.76 1.39 -0.54 -1.11 0.00 0.00 177.39 177.20 3kqz s LYS 386 N -1.45 2.75 0.00 1.96 1.02 0.19 -4.55 119.74 119.66 3kqz s LYS 386 Ca 0.59 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.24 3kqz s LYS 386 Cb -0.63 -5.03 0.00 0.00 -0.52 0.00 0.00 37.83 31.65 3kqz s LYS 386 CO 0.59 -3.09 0.00 0.00 -0.92 0.00 0.00 175.35 171.93 3kqz n ALA 387 N 12.89 1.70 -1.77 5.17 0.00 -1.26 -4.68 120.51 132.54 3kqz n ALA 387 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 3kqz n ALA 387 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.39 2.84 0.18 0.00 0.00 -1.26 -4.94 121.76 117.19 3kqz s ALA 388 Ca 0.00 0.86 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 3kqz s ALA 388 Cb 0.00 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 3kqz s ALA 388 CO 0.00 -0.69 1.37 -2.30 0.00 0.00 0.00 175.76 174.14 3kqz n PRO 389 N -0.89 1.70 -1.35 0.00 -0.02 -1.26 -1.51 135.00 131.67 3kqz n PRO 389 Ca 0.09 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3kqz n PRO 389 Cb 0.50 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.45 1.29 0.16 -1.23 0.00 -1.26 -4.88 105.19 101.73 3kqz n GLY 390 Ca 0.15 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.48 1.61 4.64 -1.63 -3.48 113.55 109.21 3kqz h SER 391 Ca -0.25 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.74 3kqz h SER 391 Cb 0.81 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.05 3kqz h SER 391 CO 0.36 0.00 -0.70 0.23 -0.87 0.00 0.00 176.83 175.85 3kqz n MET 392 N -2.59 -6.63 -0.18 4.77 2.81 -1.26 -4.91 117.12 109.12 3kqz n MET 392 Ca 0.04 0.80 0.15 0.00 -1.81 0.00 0.00 57.70 56.87 3kqz n MET 392 Cb 0.41 -5.68 0.48 0.00 -0.71 0.00 0.00 33.22 27.72 3kqz n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqz h ILE 393 N -2.02 0.80 0.00 2.02 2.10 -1.93 -1.60 117.51 116.89 3kqz h ILE 393 Ca -0.55 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.23 3kqz h ILE 393 Cb 1.33 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 3kqz h ILE 393 CO 0.49 0.08 0.00 -0.90 -1.08 0.00 0.00 178.15 176.74 3kqz n ASP 394 N -4.49 0.04 -0.46 2.19 5.75 -1.26 -1.43 116.55 116.88 3kqz n ASP 394 Ca 0.15 0.51 0.11 0.00 -0.01 0.00 0.00 54.79 55.55 3kqz n ASP 394 Cb 0.52 -0.52 0.06 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.55 1.88 0.00 -2.12 7.94 -0.60 -4.62 117.00 117.94 3kqz n LEU 395 Ca 0.03 -0.68 0.10 0.00 -1.11 0.00 0.00 56.01 54.35 3kqz n LEU 395 Cb 0.15 -0.02 0.58 0.00 0.53 0.00 0.00 43.42 44.67 3kqz n LEU 395 CO 0.12 0.35 0.82 0.23 -1.11 0.00 0.00 177.39 177.81 3kqz n MET 396 N -0.10 0.50 0.31 1.96 2.81 -0.52 -0.66 117.12 121.43 3kqz n MET 396 Ca 0.10 0.04 0.20 0.00 -1.81 0.00 0.00 57.70 56.23 3kqz n MET 396 Cb 0.45 -1.50 1.06 0.00 -0.71 0.00 0.00 33.22 32.52 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 0.00 0.03 2.10 -1.82 -2.50 116.57 114.38 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 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 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 -3.29 0.00 1.74 0.07 -0.00 0.17 -3.86 117.46 112.29 3kqz n PHE 398 Ca -0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.55 3kqz n PHE 398 Cb 0.15 0.00 0.60 0.00 -0.00 0.00 0.00 39.48 40.24 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 -0.81 0.62 -1.33 5.98 2.03 -0.95 -1.20 116.55 120.89 3kqz n ASP 399 Ca 0.14 -1.40 0.02 0.00 0.52 0.00 0.00 54.79 54.07 3kqz n ASP 399 Cb 0.06 -0.02 0.27 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.43 3.07 -0.33 -0.67 0.00 -0.64 -2.87 117.12 115.24 3kqz n MET 400 Ca 0.18 -3.01 0.03 0.00 0.00 0.00 0.00 57.70 54.90 3kqz n MET 400 Cb 0.18 -1.98 0.21 0.00 0.00 0.00 0.00 33.22 31.63 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 2.03 0.97 -0.18 3.17 0.02 -1.30 -1.36 113.55 116.90 3kqz h SER 401 Ca 0.12 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kqz h SER 401 Cb 1.79 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 3kqz h SER 401 CO 0.43 0.63 0.10 1.23 -1.14 0.00 0.00 176.83 178.07 3kqz h GLY 402 N 1.10 0.27 0.32 -3.77 0.00 -1.73 0.36 103.07 99.63 3kqz h GLY 402 Ca 0.41 -0.12 0.12 0.00 0.00 0.00 0.00 47.33 47.73 3kqz h GLY 402 CO -0.15 0.12 0.33 0.00 0.00 0.00 0.00 176.54 176.83 3kqz h ALA 404 N 1.48 0.32 -0.98 0.00 0.00 -0.87 0.80 119.26 120.01 3kqz h ALA 404 Ca 0.38 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.19 3kqz h ALA 404 Cb 0.49 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3kqz h ALA 404 CO -0.33 0.06 0.62 0.00 0.00 0.00 0.00 179.25 179.60 3kqz h ALA 405 N 0.79 1.58 -0.10 0.00 0.00 -0.41 0.36 119.26 121.48 3kqz h ALA 405 Ca 0.07 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 3kqz h ALA 405 Cb 0.43 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kqz h ALA 405 CO 0.01 0.17 -0.80 0.28 0.00 0.00 0.00 179.25 178.91 3kqz h VAL 406 N 0.94 1.30 0.37 0.00 2.07 -0.72 -0.21 116.25 120.00 3kqz h VAL 406 Ca 0.49 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 3kqz h VAL 406 Cb 0.53 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3kqz h VAL 406 CO -0.26 0.63 -0.18 -0.07 0.02 0.00 0.00 177.57 177.72 3kqz h LEU 407 N 0.41 -0.42 -0.69 2.57 4.07 -0.42 -1.23 115.31 119.60 3kqz h LEU 407 Ca -0.07 -0.11 0.15 0.00 0.08 0.00 0.00 57.88 57.93 3kqz h LEU 407 Cb 1.45 0.11 -0.12 0.00 1.08 0.00 0.00 40.66 43.18 3kqz h LEU 407 CO 0.16 -0.12 0.03 1.23 -1.08 0.00 0.00 178.44 178.67 3kqz h GLY 408 N -0.74 0.79 0.65 0.83 0.00 -0.25 0.20 103.07 104.56 3kqz h GLY 408 Ca -0.05 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.46 3kqz h GLY 408 CO 0.08 -0.23 0.57 0.00 0.00 0.00 0.00 176.54 176.96 3kqz h ALA 410 N 1.58 1.02 -0.27 0.00 0.00 0.57 0.23 119.26 122.38 3kqz h ALA 410 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3kqz h ALA 410 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kqz h ALA 410 CO -0.19 0.47 0.17 -0.92 0.00 0.00 0.00 179.25 178.79 3kqz h TYR 411 N 1.10 0.34 -0.20 0.00 3.20 0.62 0.28 116.97 122.31 3kqz h TYR 411 Ca 0.29 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 3kqz h TYR 411 Cb -0.07 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3kqz h TYR 411 CO -0.01 0.23 0.06 0.00 -1.64 0.00 0.00 178.16 176.80 3kqz h VAL 413 N 0.15 1.11 -0.26 0.00 2.07 -0.49 0.24 116.25 119.06 3kqz h VAL 413 Ca 0.06 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3kqz h VAL 413 Cb 0.25 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kqz h VAL 413 CO -0.00 0.08 0.18 1.23 0.02 0.00 0.00 177.57 179.09 3kqz h GLY 414 N -0.10 0.12 0.43 2.17 0.00 -0.42 0.16 103.07 105.43 3kqz h GLY 414 Ca 0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 47.33 47.04 3kqz h GLY 414 CO -0.00 0.03 -1.33 -0.84 0.00 0.00 0.00 176.54 174.40 3kqz h THR 415 N 0.10 1.04 0.00 4.70 2.02 -0.68 -3.33 112.91 116.76 3kqz h THR 415 Ca 0.12 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.94 3kqz h THR 415 Cb 0.35 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 3kqz h THR 415 CO -0.01 0.65 0.00 -0.07 0.37 0.00 0.00 175.52 176.45 3kqz h LEU 416 N -0.44 0.00 -2.93 2.58 3.38 -0.33 -3.48 115.31 114.09 3kqz h LEU 416 Ca -0.30 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.36 3kqz h LEU 416 Cb 1.65 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.49 3kqz h LEU 416 CO 0.01 0.00 -0.76 0.29 0.09 0.00 0.00 178.44 178.08 3kqz n LYS 417 N -2.93 -1.51 -1.41 1.13 5.02 0.55 -4.95 118.16 114.06 3kqz n LYS 417 Ca 0.03 0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 56.77 3kqz n LYS 417 Cb 0.46 -4.66 0.10 0.00 -0.02 0.00 0.00 35.03 30.90 3kqz n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqz s PRO 418 N -4.93 2.10 0.42 1.97 0.04 -1.26 -5.02 135.00 128.34 3kqz s PRO 418 Ca 0.34 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3kqz s PRO 418 Cb -0.09 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 3kqz s PRO 418 CO 0.81 -1.86 0.64 -1.21 0.04 0.00 0.00 177.00 175.42 3kqz s GLU 419 N -3.92 3.22 -0.74 4.56 2.02 -1.26 -4.60 118.70 117.98 3kqz s GLU 419 Ca 0.74 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.33 3kqz s GLU 419 Cb -0.29 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3kqz s GLU 419 CO 0.46 -0.15 0.00 0.09 0.02 0.00 0.00 175.26 175.68 3kqz n ASN 420 N -2.01 -4.92 -4.11 -0.19 3.02 -1.25 -4.95 115.26 100.85 3kqz n ASN 420 Ca -0.00 0.17 -0.17 0.00 -0.03 0.00 0.00 54.58 54.54 3kqz n ASN 420 Cb 0.57 -3.04 -0.13 0.00 -0.61 0.00 0.00 39.78 36.58 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 -1.90 0.90 -0.12 2.41 0.11 -1.26 0.88 120.40 121.42 3kqz s VAL 421 Ca 0.00 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 3kqz s VAL 421 Cb 0.00 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3kqz s VAL 421 CO 0.00 -0.13 -0.15 -0.70 -3.33 0.00 0.00 175.10 170.78 3kqz s GLU 422 N -1.29 2.28 -0.06 1.54 2.12 0.14 -1.29 118.70 122.13 3kqz s GLU 422 Ca -0.02 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.76 3kqz s GLU 422 Cb -0.08 -1.98 0.01 0.00 0.26 0.00 0.00 34.13 32.34 3kqz s GLU 422 CO 0.01 -0.11 -0.13 0.42 -0.54 0.00 0.00 175.26 174.91 3kqz s ILE 423 N 1.12 1.20 -0.16 -3.70 1.01 0.44 0.45 121.20 121.56 3kqz s ILE 423 Ca -0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 3kqz s ILE 423 Cb -0.14 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 3kqz s ILE 423 CO -0.04 0.37 -0.06 -1.00 0.00 0.00 0.00 174.94 174.21 3kqz s HIS 424 N 0.59 2.96 -0.24 3.97 3.76 0.17 -0.09 115.29 126.41 3kqz s HIS 424 Ca -0.14 -0.48 -0.06 0.00 -0.15 0.00 0.00 55.06 54.23 3kqz s HIS 424 Cb -0.15 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 3kqz s HIS 424 CO 0.04 -0.16 0.02 -0.06 -0.85 0.00 0.00 174.74 173.73 3kqz s PHE 425 N 0.55 3.04 -0.05 1.40 0.08 0.16 0.43 117.98 123.59 3kqz s PHE 425 Ca -0.04 -0.73 0.05 0.00 0.12 0.00 0.00 56.93 56.32 3kqz s PHE 425 Cb -0.15 -2.18 -0.00 0.00 -0.57 0.00 0.00 43.02 40.12 3kqz s PHE 425 CO 0.03 -0.47 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.98 3kqz s LEU 426 N 1.54 1.94 -0.05 -0.37 1.43 0.78 -1.52 118.68 122.43 3kqz s LEU 426 Ca 0.06 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3kqz s LEU 426 Cb -0.15 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.07 3kqz s LEU 426 CO 0.00 0.17 0.09 -0.55 0.23 0.00 0.00 176.35 176.29 3kqz s SER 427 N 0.00 0.21 -0.89 2.29 0.15 -0.70 -0.53 113.70 114.23 3kqz s SER 427 Ca -0.04 0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.58 3kqz s SER 427 Cb -0.12 0.06 0.09 0.00 -1.71 0.00 0.00 66.02 64.34 3kqz s SER 427 CO 0.02 -0.17 1.20 0.00 1.20 0.00 0.00 173.24 175.50 3kqz s ALA 428 N 1.39 3.08 0.05 5.45 0.00 -1.26 -0.69 121.76 129.79 3kqz s ALA 428 Ca -0.06 -2.33 -0.22 0.00 0.00 0.00 0.00 51.96 49.36 3kqz s ALA 428 Cb -0.12 -4.17 -0.06 0.00 0.00 0.00 0.00 23.12 18.77 3kqz s ALA 428 CO -0.04 -3.15 0.65 0.08 0.00 0.00 0.00 175.76 173.29 3kqz s VAL 429 N 3.86 4.75 0.01 0.00 1.01 -0.43 -4.06 120.40 125.54 3kqz s VAL 429 Ca 0.35 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.69 3kqz s VAL 429 Cb -0.06 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3kqz s VAL 429 CO -0.04 0.46 0.07 0.00 0.00 0.00 0.00 175.10 175.60 3kqz s GLU 431 N -2.00 0.62 -0.48 0.00 2.12 -1.26 -0.58 118.70 117.11 3kqz s GLU 431 Ca 0.02 -0.15 -0.09 0.00 0.36 0.00 0.00 54.97 55.11 3kqz s GLU 431 Cb -0.00 -0.63 0.12 0.00 0.26 0.00 0.00 34.13 33.88 3kqz s GLU 431 CO 0.00 0.02 0.35 1.21 -0.54 0.00 0.00 175.26 176.31 3kqz s ASN 432 N 0.39 5.71 0.29 -1.70 2.47 -0.38 -4.35 114.94 117.37 3kqz s ASN 432 Ca -0.05 -1.95 0.07 0.00 0.42 0.00 0.00 52.86 51.35 3kqz s ASN 432 Cb -0.09 -2.01 -0.06 0.00 -1.45 0.00 0.00 41.25 37.65 3kqz s ASN 432 CO -0.00 -0.68 -0.07 -0.04 -3.72 0.00 0.00 177.10 172.59 3kqz s MET 433 N 1.30 1.59 -0.20 0.43 -1.94 -1.26 -1.36 119.30 117.86 3kqz s MET 433 Ca 0.06 -1.81 -0.05 0.00 -1.71 0.00 0.00 55.69 52.19 3kqz s MET 433 Cb -0.26 -1.24 -0.02 0.00 2.01 0.00 0.00 34.83 35.32 3kqz s MET 433 CO -0.01 0.06 0.00 0.08 -0.01 0.00 0.00 175.02 175.14 3kqz s VAL 434 N -2.95 3.97 0.28 -6.03 1.01 -1.26 -4.55 120.40 110.87 3kqz s VAL 434 Ca 0.30 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3kqz s VAL 434 Cb 0.03 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3kqz s VAL 434 CO 0.13 0.43 0.71 -0.55 0.00 0.00 0.00 175.10 175.81 3kqz s SER 435 N 0.99 -0.26 0.51 3.32 0.15 -1.26 -4.99 113.70 112.16 3kqz s SER 435 Ca 0.02 -0.61 0.24 0.00 0.70 0.00 0.00 55.95 56.30 3kqz s SER 435 Cb -0.14 0.72 1.35 0.00 -1.71 0.00 0.00 66.02 66.24 3kqz s SER 435 CO 0.02 -1.33 2.06 0.07 1.20 0.00 0.00 173.24 175.26 3kqz h LYS 436 N 2.01 0.00 -0.01 5.44 2.10 -1.97 -2.98 116.57 121.16 3kqz h LYS 436 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 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 0.24 0.13 -0.20 0.09 -2.00 0.00 0.00 179.45 177.71 3kqz n ASN 437 N -3.84 0.89 -4.79 7.07 3.02 -1.26 -4.96 115.26 111.39 3kqz n ASN 437 Ca -0.02 -0.83 -0.33 0.00 -0.03 0.00 0.00 54.58 53.37 3kqz n ASN 437 Cb 0.23 0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 -2.46 5.38 0.81 6.41 0.01 -1.13 -3.56 113.70 119.16 3kqz s SER 438 Ca 0.26 1.88 -0.11 0.00 1.31 0.00 0.00 55.95 59.29 3kqz s SER 438 Cb 0.20 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.97 3kqz s SER 438 CO 0.50 -1.44 1.09 -0.72 0.41 0.00 0.00 173.24 173.08 3kqz s TYR 439 N -2.49 2.64 0.10 2.43 1.13 -1.26 -4.84 117.35 115.05 3kqz s TYR 439 Ca 0.64 1.30 0.09 0.00 -1.41 0.00 0.00 57.07 57.70 3kqz s TYR 439 Cb -0.18 -3.09 -0.03 0.00 -1.10 0.00 0.00 41.96 37.56 3kqz s TYR 439 CO 0.42 -1.93 -0.24 1.03 -2.51 0.00 0.00 175.55 172.32 3kqz s ARG 440 N -5.01 1.39 0.17 -3.49 0.52 -1.26 -4.66 118.95 106.61 3kqz s ARG 440 Ca 0.61 -1.20 -0.34 0.00 -0.52 0.00 0.00 55.73 54.29 3kqz s ARG 440 Cb -0.16 -1.72 -0.15 0.00 0.52 0.00 0.00 34.95 33.44 3kqz s ARG 440 CO 0.56 0.42 1.41 -2.30 0.02 0.00 0.00 175.30 175.40 3kqz n PRO 441 N 1.24 1.73 0.00 3.54 -0.02 -1.26 -1.14 135.00 139.10 3kqz n PRO 441 Ca -0.18 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3kqz n PRO 441 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.64 3.24 3.57 -1.23 0.00 0.11 -5.01 105.19 108.51 3kqz n GLY 442 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3kqz n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqz n ASP 443 N 0.00 0.27 -4.28 1.61 8.00 -0.29 -4.43 116.55 117.43 3kqz n ASP 443 Ca 0.00 0.82 -0.34 0.00 0.71 0.00 0.00 54.79 55.98 3kqz n ASP 443 Cb 0.00 -1.31 -0.15 0.00 -0.02 0.00 0.00 41.12 39.64 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqz s ILE 444 N -1.54 2.93 0.25 0.53 1.01 -1.26 -0.80 121.20 122.32 3kqz s ILE 444 Ca 0.72 -0.66 0.10 0.00 0.00 0.00 0.00 60.65 60.81 3kqz s ILE 444 Cb -0.45 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3kqz s ILE 444 CO 0.51 0.48 -0.17 0.27 0.00 0.00 0.00 174.94 176.02 3kqz s ILE 445 N 1.09 2.17 -0.23 2.92 -4.36 -0.00 -4.88 121.20 117.90 3kqz s ILE 445 Ca 0.00 -2.32 0.01 0.00 -0.26 0.00 0.00 60.65 58.08 3kqz s ILE 445 Cb -0.15 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.40 3kqz s ILE 445 CO -0.03 -0.48 -0.12 -0.89 0.24 0.00 0.00 174.94 173.66 3kqz s THR 446 N -2.71 2.37 0.82 8.37 2.01 -1.26 0.10 115.64 125.34 3kqz s THR 446 Ca 0.27 -1.24 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 3kqz s THR 446 Cb -0.03 -2.22 0.08 0.00 0.01 0.00 0.00 72.50 70.35 3kqz s THR 446 CO 0.12 0.21 1.09 0.00 -0.69 0.00 0.00 174.62 175.34 3kqz s ALA 447 N 1.23 2.01 -0.25 7.40 0.00 0.63 -2.40 121.76 130.39 3kqz s ALA 447 Ca -0.02 0.00 0.26 0.00 0.00 0.00 0.00 51.96 52.20 3kqz s ALA 447 Cb -0.17 -3.19 1.19 0.00 0.00 0.00 0.00 23.12 20.95 3kqz s ALA 447 CO -0.07 -1.94 1.77 0.66 0.00 0.00 0.00 175.76 176.18 3kqz h SER 448 N -1.25 0.00 -0.22 0.00 4.64 -1.77 0.32 113.55 115.27 3kqz h SER 448 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3kqz h SER 448 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kqz h SER 448 CO 0.55 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.05 3kqz n ASN 449 N -2.40 2.09 0.00 4.97 6.94 -1.26 -4.93 115.26 120.66 3kqz n ASN 449 Ca 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 3kqz n ASN 449 Cb 0.17 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqz n GLY 450 N 1.21 0.92 3.74 4.83 0.00 0.11 -5.02 105.19 110.99 3kqz n GLY 450 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3kqz n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s LYS 451 N -0.87 4.16 -0.19 1.61 1.02 -1.26 -4.74 119.74 119.48 3kqz s LYS 451 Ca 0.00 2.50 -0.09 0.00 0.02 0.00 0.00 55.97 58.40 3kqz s LYS 451 Cb 0.00 -3.06 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 3kqz s LYS 451 CO 0.00 -0.60 0.12 -0.08 -0.92 0.00 0.00 175.35 173.87 3kqz s THR 452 N 0.21 5.28 -0.10 2.17 -1.32 -1.26 -0.26 115.64 120.36 3kqz s THR 452 Ca 0.64 0.14 0.03 0.00 -1.21 0.00 0.00 61.69 61.29 3kqz s THR 452 Cb -0.46 -3.39 0.01 0.00 -1.51 0.00 0.00 72.50 67.15 3kqz s THR 452 CO 0.44 0.47 -0.19 -0.63 -2.21 0.00 0.00 174.62 172.50 3kqz s ILE 453 N 0.19 1.70 -0.28 5.08 1.01 0.28 -1.74 121.20 127.44 3kqz s ILE 453 Ca 0.08 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 3kqz s ILE 453 Cb -0.11 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3kqz s ILE 453 CO -0.01 0.48 0.27 -0.70 0.00 0.00 0.00 174.94 174.98 3kqz s GLU 454 N 0.65 3.93 -0.14 2.79 2.12 -0.34 -0.82 118.70 126.88 3kqz s GLU 454 Ca -0.13 -0.21 -0.28 0.00 0.36 0.00 0.00 54.97 54.71 3kqz s GLU 454 Cb -0.16 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 3kqz s GLU 454 CO 0.04 -0.25 0.96 0.08 -0.54 0.00 0.00 175.26 175.55 3kqz s VAL 455 N 1.89 4.80 -0.07 3.70 1.01 0.02 -1.68 120.40 130.06 3kqz s VAL 455 Ca 0.10 1.92 0.11 0.00 0.00 0.00 0.00 61.98 64.12 3kqz s VAL 455 Cb -0.16 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.79 3kqz s VAL 455 CO 0.11 -0.02 0.27 0.61 0.00 0.00 0.00 175.10 176.07 3kqz n GLY 456 N 3.23 -0.46 3.31 4.51 0.00 -1.26 0.06 105.19 114.58 3kqz n GLY 456 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.16 -0.40 0.52 1.61 3.84 -1.26 -4.78 114.94 111.32 3kqz s ASN 457 Ca -0.03 1.05 0.34 0.00 0.21 0.00 0.00 52.86 54.43 3kqz s ASN 457 Cb 0.07 1.51 1.62 0.00 -0.55 0.00 0.00 41.25 43.91 3kqz s ASN 457 CO 0.47 -0.23 2.03 0.71 -2.79 0.00 0.00 177.10 177.28 3kqz h THR 458 N 6.14 0.00 -0.00 -5.21 1.35 -1.88 -1.56 112.91 111.74 3kqz h THR 458 Ca -0.16 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 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 0.13 0.00 -0.09 -0.67 -0.25 0.00 0.00 175.52 174.64 3kqz n ASP 459 N -2.86 0.29 -2.59 5.36 2.03 -0.23 -3.57 116.55 114.98 3kqz n ASP 459 Ca -0.01 -0.37 -0.30 0.00 0.52 0.00 0.00 54.79 54.64 3kqz n ASP 459 Cb 0.19 -0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.12 6.48 0.02 -1.67 0.00 -0.59 -4.58 120.51 119.05 3kqz n ALA 460 Ca 0.14 -3.26 -0.08 0.00 0.00 0.00 0.00 53.44 50.23 3kqz n ALA 460 Cb 0.27 -2.13 -0.13 0.00 0.00 0.00 0.00 19.45 17.46 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 3.03 0.01 -0.48 0.00 9.09 -1.78 -3.32 114.58 121.12 3kqz h GLU 461 Ca 0.43 -0.01 0.07 0.00 0.05 0.00 0.00 59.36 59.90 3kqz h GLU 461 Cb 0.59 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.63 3kqz h GLU 461 CO 0.99 0.75 0.14 0.78 0.05 0.00 0.00 179.01 181.71 3kqz h GLY 462 N 3.23 0.62 2.00 1.06 0.00 -1.91 0.34 103.07 108.40 3kqz h GLY 462 Ca -0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3kqz h GLY 462 CO 0.10 -0.02 -0.02 0.07 0.00 0.00 0.00 176.54 176.67 3kqz h ARG 463 N 0.30 0.00 -0.01 4.80 0.11 -1.93 0.63 114.38 118.27 3kqz h ARG 463 Ca 0.24 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.13 3kqz h ARG 463 Cb 0.28 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.37 3kqz h ARG 463 CO -0.27 0.02 -0.70 -0.07 0.10 0.00 0.00 179.97 179.05 3kqz h LEU 464 N 0.00 0.64 -0.33 0.08 3.38 -1.11 -0.96 115.31 117.02 3kqz h LEU 464 Ca -0.00 -0.74 -0.19 0.00 0.09 0.00 0.00 57.88 57.04 3kqz h LEU 464 Cb 0.35 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kqz h LEU 464 CO 0.00 1.30 -0.62 0.71 0.09 0.00 0.00 178.44 179.93 3kqz h THR 465 N 0.05 1.29 -0.02 0.22 1.35 -0.74 -2.85 112.91 112.21 3kqz h THR 465 Ca -0.08 -1.83 -0.08 0.00 -0.55 0.00 0.00 66.41 63.86 3kqz h THR 465 Cb 1.40 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 3kqz h THR 465 CO 0.14 0.58 -0.35 -0.07 -0.25 0.00 0.00 175.52 175.58 3kqz h LEU 466 N 0.55 0.04 -0.29 3.87 3.38 -0.91 -1.50 115.31 120.45 3kqz h LEU 466 Ca -0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kqz h LEU 466 Cb 1.21 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3kqz h LEU 466 CO 0.13 0.39 0.11 0.00 0.09 0.00 0.00 178.44 179.15 3kqz h ALA 467 N 1.62 0.34 -0.22 1.53 0.00 -0.92 0.75 119.26 122.36 3kqz h ALA 467 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3kqz h ALA 467 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kqz h ALA 467 CO 0.05 -0.29 -0.39 -0.44 0.00 0.00 0.00 179.25 178.18 3kqz h ASP 468 N 0.25 0.72 -0.60 0.00 3.32 -1.50 -1.91 116.42 116.70 3kqz h ASP 468 Ca 0.13 -0.54 0.12 0.00 0.02 0.00 0.00 57.03 56.77 3kqz h ASP 468 Cb 0.09 -0.21 -0.10 0.00 0.22 0.00 0.00 39.33 39.33 3kqz h ASP 468 CO -0.12 1.12 0.01 0.00 -1.72 0.00 0.00 179.24 178.53 3kqz h ALA 469 N 0.62 0.60 -0.66 3.45 0.00 -1.00 0.11 119.26 122.38 3kqz h ALA 469 Ca 0.01 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kqz h ALA 469 Cb 0.99 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3kqz h ALA 469 CO 0.09 -0.39 0.34 -0.07 0.00 0.00 0.00 179.25 179.22 3kqz h LEU 470 N 0.13 0.85 -0.33 0.00 3.38 0.77 0.35 115.31 120.45 3kqz h LEU 470 Ca 0.31 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3kqz h LEU 470 Cb 0.50 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3kqz h LEU 470 CO -0.51 0.73 0.14 0.58 0.09 0.00 0.00 178.44 179.47 3kqz h VAL 471 N 0.91 0.94 -0.11 1.22 2.07 -1.06 0.08 116.25 120.30 3kqz h VAL 471 Ca 0.23 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.67 3kqz h VAL 471 Cb 0.09 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3kqz h VAL 471 CO -0.03 0.05 -0.03 0.22 0.02 0.00 0.00 177.57 177.80 3kqz h TYR 472 N 0.29 -0.06 -0.69 1.57 3.20 0.03 -2.01 116.97 119.30 3kqz h TYR 472 Ca 0.15 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3kqz h TYR 472 Cb 0.09 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3kqz h TYR 472 CO -0.12 -0.05 0.42 0.00 -1.64 0.00 0.00 178.16 176.76 3kqz h ALA 473 N 1.11 0.91 -0.09 1.82 0.00 -0.16 -2.56 119.26 120.29 3kqz h ALA 473 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3kqz h ALA 473 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kqz h ALA 473 CO -0.12 0.15 -0.44 1.49 0.00 0.00 0.00 179.25 180.33 3kqz h GLU 474 N 0.80 0.21 -0.01 0.00 4.81 -0.70 -1.87 114.58 117.82 3kqz h GLU 474 Ca 0.29 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3kqz h GLU 474 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3kqz h GLU 474 CO -0.13 0.62 0.02 0.87 -0.73 0.00 0.00 179.01 179.66 3kqz h LYS 475 N 0.18 0.00 0.00 1.92 1.57 -0.94 -1.58 116.57 117.71 3kqz h LYS 475 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kqz h LYS 475 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3kqz h LYS 475 CO 0.07 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3kqz n LEU 476 N -3.45 0.02 -2.73 2.94 4.77 -0.70 -4.94 117.00 112.91 3kqz n LEU 476 Ca -0.03 0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 3kqz n LEU 476 Cb 0.10 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3kqz n LEU 476 CO 0.23 -0.12 0.04 0.61 -1.33 0.00 0.00 177.39 176.83 3kqz n GLY 477 N 0.84 -0.58 3.91 -0.72 0.00 -0.59 -5.03 105.19 103.01 3kqz n GLY 477 Ca 0.05 0.33 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.26 3.07 0.01 1.61 -7.23 -1.26 -4.94 120.40 108.41 3kqz s VAL 478 Ca 0.30 -1.25 0.06 0.00 -1.81 0.00 0.00 61.98 59.29 3kqz s VAL 478 Cb -0.04 -3.08 -0.24 0.00 0.56 0.00 0.00 36.38 33.58 3kqz s VAL 478 CO 0.52 -0.06 0.86 0.44 -0.31 0.00 0.00 175.10 176.56 3kqz h ASP 479 N 0.99 0.11 -3.73 4.85 3.32 -0.57 -3.47 116.42 117.93 3kqz h ASP 479 Ca -0.42 -0.18 -0.27 0.00 0.02 0.00 0.00 57.03 56.18 3kqz h ASP 479 Cb 1.26 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 3kqz h ASP 479 CO 0.55 1.15 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.18 3kqz s TYR 480 N -2.63 0.14 -0.21 4.55 2.02 -1.08 -3.97 117.35 116.16 3kqz s TYR 480 Ca -0.05 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3kqz s TYR 480 Cb 0.08 -0.13 0.03 0.00 -0.40 0.00 0.00 41.96 41.54 3kqz s TYR 480 CO 0.83 -0.02 -0.15 0.42 -1.57 0.00 0.00 175.55 175.05 3kqz s ILE 481 N 0.18 2.26 -0.11 2.71 1.01 -0.41 -0.74 121.20 126.10 3kqz s ILE 481 Ca -0.01 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.56 3kqz s ILE 481 Cb -0.03 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3kqz s ILE 481 CO -0.00 0.35 -0.18 -0.69 0.00 0.00 0.00 174.94 174.41 3kqz s VAL 482 N 1.26 1.72 0.06 2.92 1.01 -0.61 -0.55 120.40 126.21 3kqz s VAL 482 Ca 0.01 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3kqz s VAL 482 Cb -0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3kqz s VAL 482 CO -0.09 0.48 -0.04 1.51 0.00 0.00 0.00 175.10 176.96 3kqz s ASP 483 N 0.81 4.76 -0.04 3.32 1.47 -0.07 -0.54 116.67 126.39 3kqz s ASP 483 Ca -0.09 -0.21 0.02 0.00 1.18 0.00 0.00 52.55 53.44 3kqz s ASP 483 Cb -0.16 -1.08 0.01 0.00 -0.34 0.00 0.00 42.92 41.35 3kqz s ASP 483 CO 0.00 0.21 -0.07 -0.51 0.68 0.00 0.00 175.17 175.48 3kqz s ILE 484 N -1.19 0.71 -0.28 2.11 2.07 0.75 -0.45 121.20 124.92 3kqz s ILE 484 Ca 0.22 -0.26 -0.20 0.00 -1.41 0.00 0.00 60.65 58.99 3kqz s ILE 484 Cb -0.11 -0.67 0.08 0.00 0.13 0.00 0.00 42.46 41.88 3kqz s ILE 484 CO 0.14 0.25 0.70 0.00 -1.91 0.00 0.00 174.94 174.12 3kqz s ALA 485 N 0.57 -1.83 -1.26 1.50 0.00 -0.26 -2.03 121.76 118.44 3kqz s ALA 485 Ca -0.09 2.25 -0.18 0.00 0.00 0.00 0.00 51.96 53.94 3kqz s ALA 485 Cb -0.12 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.69 3kqz s ALA 485 CO 0.01 -0.36 1.92 0.25 0.00 0.00 0.00 175.76 177.57 3kqz n THR 486 N 3.58 3.23 -0.07 0.00 -2.24 -1.26 -0.81 114.28 116.70 3kqz n THR 486 Ca -0.17 -3.18 -0.22 0.00 -2.27 0.00 0.00 64.05 58.20 3kqz n THR 486 Cb 0.57 -2.38 -0.12 0.00 -2.10 0.00 0.00 70.33 66.30 3kqz n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kqz n LEU 487 N 8.84 2.39 -3.79 3.22 7.94 -1.26 -4.76 117.00 129.58 3kqz n LEU 487 Ca 0.49 0.22 -0.18 0.00 -1.11 0.00 0.00 56.01 55.43 3kqz n LEU 487 Cb 0.44 -0.99 -0.17 0.00 0.53 0.00 0.00 43.42 43.23 3kqz n LEU 487 CO 0.81 0.67 -0.37 0.42 -1.11 0.00 0.00 177.39 177.82 3kqz s THR 488 N -2.49 0.16 0.46 1.96 -4.23 -1.26 -4.93 115.64 105.30 3kqz s THR 488 Ca -0.29 0.14 0.14 0.00 -1.18 0.00 0.00 61.69 60.51 3kqz s THR 488 Cb 0.08 -0.29 0.32 0.00 1.34 0.00 0.00 72.50 73.95 3kqz s THR 488 CO 0.65 0.17 2.02 1.23 -0.54 0.00 0.00 174.62 178.15 3kqz h GLY 489 N 7.60 0.41 1.12 3.99 0.00 -1.93 -2.26 103.07 111.99 3kqz h GLY 489 Ca -0.34 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 46.92 3kqz h GLY 489 CO 0.39 0.09 0.38 0.00 0.00 0.00 0.00 176.54 177.40 3kqz h ALA 490 N 1.76 1.78 -0.97 3.60 0.00 -1.96 -1.30 119.26 122.18 3kqz h ALA 490 Ca 0.21 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.35 3kqz h ALA 490 Cb 0.41 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.09 3kqz h ALA 490 CO -0.05 -0.50 0.53 0.52 0.00 0.00 0.00 179.25 179.75 3kqz h MET 491 N 0.00 0.49 -0.03 0.00 2.86 -1.79 0.24 114.93 116.70 3kqz h MET 491 Ca 0.11 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3kqz h MET 491 Cb 0.86 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 3kqz h MET 491 CO -0.00 0.33 0.07 -0.07 1.06 0.00 0.00 176.91 178.30 3kqz h LEU 492 N 0.51 0.00 0.00 1.22 3.38 -1.45 0.74 115.31 119.71 3kqz h LEU 492 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 3kqz h LEU 492 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3kqz h LEU 492 CO -0.50 0.00 -1.67 -1.22 0.09 0.00 0.00 178.44 175.14 3kqz n TYR 493 N -3.38 0.00 -0.02 1.13 4.02 0.78 -3.62 117.16 116.07 3kqz n TYR 493 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.85 3kqz n TYR 493 Cb 0.15 -0.34 -0.01 0.00 -0.02 0.00 0.00 39.34 39.12 3kqz n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqz n SER 494 N -2.01 0.53 -0.02 7.72 3.41 -0.60 -4.83 113.62 117.82 3kqz n SER 494 Ca -0.02 0.18 0.06 0.00 -0.26 0.00 0.00 58.87 58.83 3kqz n SER 494 Cb 0.48 -0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 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 -3.01 0.00 0.00 1.04 4.77 0.06 -5.08 117.00 114.78 3kqz n LEU 495 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3kqz n LEU 495 Cb 0.12 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3kqz n LEU 495 CO 0.05 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3kqz n GLY 496 N 1.55 -0.02 0.72 -0.72 0.00 -0.11 -4.33 105.19 102.29 3kqz n GLY 496 Ca -0.08 -1.24 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 -0.13 2.61 -2.24 -1.26 -4.24 114.28 109.02 3kqz n THR 497 Ca 0.00 -0.38 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 3kqz n THR 497 Cb 0.00 1.34 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 0.66 1.96 -4.66 3.42 7.64 -1.26 -4.28 113.62 117.10 3kqz n SER 498 Ca 0.12 0.11 -0.35 0.00 1.01 0.00 0.00 58.87 59.77 3kqz n SER 498 Cb 0.53 -0.60 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 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 3.20 0.67 1.43 4.12 -1.26 -4.53 117.35 118.50 3kqz s TYR 499 Ca -0.35 0.11 -0.03 0.00 0.02 0.00 0.00 57.07 56.82 3kqz s TYR 499 Cb 0.12 -1.90 0.07 0.00 -1.52 0.00 0.00 41.96 38.73 3kqz s TYR 499 CO 0.51 0.33 0.95 0.00 0.02 0.00 0.00 175.55 177.36 3kqz s ALA 500 N -0.38 3.47 -0.04 3.71 0.00 -0.20 -4.56 121.76 123.75 3kqz s ALA 500 Ca 0.08 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.84 3kqz s ALA 500 Cb -0.12 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 3kqz s ALA 500 CO 0.02 -1.21 -0.15 0.20 0.00 0.00 0.00 175.76 174.62 3kqz s GLY 501 N -4.55 1.52 -0.05 0.00 0.00 -1.08 -0.04 107.32 103.12 3kqz s GLY 501 Ca 0.61 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 44.38 3kqz s GLY 501 CO 0.43 -0.80 -0.22 0.54 0.00 0.00 0.00 173.10 173.05 3kqz s VAL 502 N -0.74 1.78 0.18 1.40 0.11 -0.11 -0.80 120.40 122.22 3kqz s VAL 502 Ca 0.12 -0.91 0.07 0.00 -2.93 0.00 0.00 61.98 58.32 3kqz s VAL 502 Cb -0.11 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 3kqz s VAL 502 CO 0.01 0.50 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.78 3kqz s PHE 503 N -0.07 1.59 -0.02 1.54 0.08 0.28 -0.43 117.98 120.96 3kqz s PHE 503 Ca -0.04 -0.59 -0.23 0.00 0.12 0.00 0.00 56.93 56.19 3kqz s PHE 503 Cb -0.13 -0.77 0.08 0.00 -0.57 0.00 0.00 43.02 41.63 3kqz s PHE 503 CO 0.03 0.27 1.05 0.41 -0.10 0.00 0.00 175.22 176.88 3kqz n GLY 504 N -0.11 0.29 1.29 4.36 0.00 -1.26 -0.09 105.19 109.67 3kqz n GLY 504 Ca -0.10 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.91 3.93 -3.57 1.61 0.23 -0.27 -4.81 115.26 111.46 3kqz n ASN 505 Ca 0.04 -2.06 -0.07 0.00 -0.53 0.00 0.00 54.58 51.96 3kqz n ASN 505 Cb 0.47 -0.47 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 506 N -1.00 -0.32 0.20 0.53 3.84 -1.26 -4.88 114.94 112.05 3kqz s ASN 506 Ca 0.46 0.91 -0.09 0.00 0.21 0.00 0.00 52.86 54.35 3kqz s ASN 506 Cb 0.25 1.46 0.14 0.00 -0.55 0.00 0.00 41.25 42.54 3kqz s ASN 506 CO 0.30 -0.24 1.77 -0.08 -2.79 0.00 0.00 177.10 176.06 3kqz h GLU 507 N 8.15 1.12 -0.02 0.43 4.22 -1.96 -2.20 114.58 124.31 3kqz h GLU 507 Ca -0.17 -0.20 -0.00 0.00 0.08 0.00 0.00 59.36 59.07 3kqz h GLU 507 Cb 1.12 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3kqz h GLU 507 CO 0.15 0.91 0.01 0.93 -2.18 0.00 0.00 179.01 178.84 3kqz h GLU 508 N 1.08 0.03 -0.20 1.92 5.08 -1.98 -0.33 114.58 120.18 3kqz h GLU 508 Ca 0.25 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3kqz h GLU 508 Cb 0.20 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3kqz h GLU 508 CO -0.02 0.09 -0.08 1.25 -1.00 0.00 0.00 179.01 179.24 3kqz h LEU 509 N -0.03 -0.27 -0.33 1.33 5.85 -1.93 -0.17 115.31 119.76 3kqz h LEU 509 Ca 0.01 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3kqz h LEU 509 Cb 0.06 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3kqz h LEU 509 CO -0.00 -0.10 -0.16 0.40 -0.34 0.00 0.00 178.44 178.24 3kqz h ILE 510 N -0.05 0.52 -0.76 4.05 2.04 -1.33 -1.04 117.51 120.93 3kqz h ILE 510 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 3kqz h ILE 510 Cb 0.20 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3kqz h ILE 510 CO -0.23 0.00 0.50 0.78 0.00 0.00 0.00 178.15 179.20 3kqz h ASN 511 N -0.10 0.59 -0.30 1.72 2.35 -0.66 0.82 115.58 120.01 3kqz h ASN 511 Ca 0.17 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3kqz h ASN 511 Cb 0.36 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3kqz h ASN 511 CO -0.40 0.35 -0.20 0.11 -1.65 0.00 0.00 177.43 175.64 3kqz h LYS 512 N 0.66 0.66 -0.74 0.81 1.57 -0.09 -1.19 116.57 118.24 3kqz h LYS 512 Ca 0.35 -0.31 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3kqz h LYS 512 Cb 0.50 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 3kqz h LYS 512 CO -0.13 0.91 0.39 0.82 -0.57 0.00 0.00 179.45 180.87 3kqz h ILE 513 N 0.41 0.88 -0.19 1.86 1.08 -0.35 -0.45 117.51 120.74 3kqz h ILE 513 Ca 0.06 -0.23 -0.12 0.00 -0.39 0.00 0.00 64.86 64.19 3kqz h ILE 513 Cb 0.74 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 3kqz h ILE 513 CO 0.05 0.12 -0.38 -0.07 -0.69 0.00 0.00 178.15 177.18 3kqz h LEU 514 N 0.66 0.45 -0.39 1.44 3.38 -0.59 0.72 115.31 120.99 3kqz h LEU 514 Ca 0.36 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 3kqz h LEU 514 Cb 0.35 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kqz h LEU 514 CO -0.25 0.80 -0.57 -0.61 0.09 0.00 0.00 178.44 177.89 3kqz h GLN 515 N 0.36 0.72 -0.00 1.13 5.75 -0.65 -1.28 115.11 121.14 3kqz h GLN 515 Ca 0.04 -0.47 -0.07 0.00 -0.15 0.00 0.00 58.65 58.00 3kqz h GLN 515 Cb 0.84 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 3kqz h GLN 515 CO 0.07 1.09 -0.31 0.77 -2.65 0.00 0.00 178.83 177.80 3kqz h SER 516 N 0.54 0.01 -0.35 -0.69 0.02 -0.60 -1.33 113.55 111.14 3kqz h SER 516 Ca 0.01 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3kqz h SER 516 Cb 1.15 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3kqz h SER 516 CO 0.12 0.32 -0.35 -1.28 -1.14 0.00 0.00 176.83 174.50 3kqz h SER 517 N 0.01 0.94 -0.24 3.07 0.87 -0.39 0.21 113.55 118.02 3kqz h SER 517 Ca -0.00 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 3kqz h SER 517 Cb 0.55 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3kqz h SER 517 CO 0.04 1.19 0.07 0.11 -0.53 0.00 0.00 176.83 177.71 3kqz h LYS 518 N 0.74 0.38 0.00 2.24 1.79 -0.51 0.15 116.57 121.35 3kqz h LYS 518 Ca 0.07 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 3kqz h LYS 518 Cb 0.92 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3kqz h LYS 518 CO 0.09 0.46 -0.43 1.79 -1.08 0.00 0.00 179.45 180.28 3kqz h THR 519 N 0.22 0.28 0.00 -0.16 1.35 -1.17 -3.07 112.91 110.36 3kqz h THR 519 Ca 0.08 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3kqz h THR 519 Cb 0.25 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3kqz h THR 519 CO -0.00 0.16 -0.86 0.77 -0.25 0.00 0.00 175.52 175.34 3kqz h SER 520 N 0.00 0.00 -0.46 5.36 4.64 -0.56 -3.47 113.55 119.06 3kqz h SER 520 Ca -0.01 -0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.03 3kqz h SER 520 Cb 1.16 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.17 3kqz h SER 520 CO 0.02 0.04 -0.18 0.59 -0.87 0.00 0.00 176.83 176.43 3kqz n ASN 521 N -2.50 -4.77 -4.43 4.97 3.02 0.51 -4.86 115.26 107.21 3kqz n ASN 521 Ca 0.01 0.24 -0.44 0.00 -0.03 0.00 0.00 54.58 54.36 3kqz n ASN 521 Cb 0.51 -3.12 -0.09 0.00 -0.61 0.00 0.00 39.78 36.48 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 -2.62 3.00 0.26 3.52 2.02 -1.15 -4.99 118.70 118.74 3kqz s GLU 522 Ca 0.00 -1.12 -0.30 0.00 0.02 0.00 0.00 54.97 53.57 3kqz s GLU 522 Cb 0.00 -4.05 -0.09 0.00 0.10 0.00 0.00 34.13 30.08 3kqz s GLU 522 CO 0.00 -0.92 1.13 -1.25 0.02 0.00 0.00 175.26 174.24 3kqz s PRO 523 N 1.79 4.59 0.02 0.39 0.04 -1.26 -4.54 135.00 136.03 3kqz s PRO 523 Ca 0.06 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3kqz s PRO 523 Cb -0.21 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 3kqz s PRO 523 CO 0.09 0.12 -0.03 0.08 0.04 0.00 0.00 177.00 177.29 3kqz s VAL 524 N -0.88 0.15 -0.02 -0.36 1.01 -1.26 -1.04 120.40 118.00 3kqz s VAL 524 Ca 0.47 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3kqz s VAL 524 Cb -0.32 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.67 3kqz s VAL 524 CO 0.41 -0.53 -0.10 0.86 0.00 0.00 0.00 175.10 175.74 3kqz s TRP 525 N -1.66 0.98 -0.08 5.22 -0.11 0.94 -4.86 118.94 119.38 3kqz s TRP 525 Ca -0.14 -0.24 -0.30 0.00 1.22 0.00 0.00 56.10 56.65 3kqz s TRP 525 Cb -0.08 -0.69 -0.03 0.00 -1.50 0.00 0.00 33.47 31.17 3kqz s TRP 525 CO -0.02 -0.09 1.16 -0.46 -4.62 0.00 0.00 176.95 172.92 3kqz s TRP 526 N 0.12 3.24 0.03 5.86 -0.00 -1.26 -0.93 118.94 126.00 3kqz s TRP 526 Ca -0.02 1.29 0.08 0.00 -0.00 0.00 0.00 56.10 57.44 3kqz s TRP 526 Cb -0.08 -3.38 -0.03 0.00 -0.00 0.00 0.00 33.47 29.99 3kqz s TRP 526 CO 0.00 -1.09 -0.22 -0.51 -0.00 0.00 0.00 176.95 175.13 3kqz s LEU 527 N 2.27 2.36 0.36 5.86 1.43 0.43 -4.89 118.68 126.50 3kqz s LEU 527 Ca 0.54 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 3kqz s LEU 527 Cb -0.23 -1.40 -0.10 0.00 0.03 0.00 0.00 46.19 44.49 3kqz s LEU 527 CO 0.20 0.27 0.83 -2.16 0.23 0.00 0.00 176.35 175.73 3kqz s PRO 528 N -1.20 4.13 -0.61 1.29 0.04 -1.26 -4.30 135.00 133.09 3kqz s PRO 528 Ca 0.13 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 61.90 3kqz s PRO 528 Cb -0.10 -2.36 0.14 0.00 0.04 0.00 0.00 34.50 32.22 3kqz s PRO 528 CO 0.03 0.09 0.62 0.42 0.04 0.00 0.00 177.00 178.20 3kqz s ILE 529 N -2.03 5.15 -0.45 0.56 1.01 -1.26 -4.80 121.20 119.38 3kqz s ILE 529 Ca 0.57 -1.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 3kqz s ILE 529 Cb -0.10 -4.42 0.03 0.00 0.01 0.00 0.00 42.46 37.98 3kqz s ILE 529 CO 0.16 -0.99 1.11 -0.63 0.00 0.00 0.00 174.94 174.59 3kqz s ILE 530 N 1.71 4.28 0.48 2.92 1.01 -1.26 -4.90 121.20 125.44 3kqz s ILE 530 Ca 0.09 1.30 0.23 0.00 0.00 0.00 0.00 60.65 62.27 3kqz s ILE 530 Cb -0.24 -4.56 0.28 0.00 0.01 0.00 0.00 42.46 37.94 3kqz s ILE 530 CO 0.02 -0.90 2.10 0.78 0.00 0.00 0.00 174.94 176.94 3kqz h ASN 531 N 8.99 0.00 -0.05 3.58 2.35 -2.00 -2.43 115.58 126.02 3kqz h ASN 531 Ca -0.23 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3kqz h ASN 531 Cb 1.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 3kqz h ASN 531 CO 1.10 0.10 0.16 -0.08 -1.65 0.00 0.00 177.43 177.06 3kqz h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.04 0.11 114.58 118.28 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 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3kqz h GLU 532 CO 0.01 0.00 -0.31 0.66 -0.73 0.00 0.00 179.01 178.65 3kqz n TYR 533 N -3.26 0.32 -0.32 0.92 0.53 -0.91 -4.12 117.16 110.32 3kqz n TYR 533 Ca -0.01 0.09 0.08 0.00 -1.02 0.00 0.00 57.90 57.04 3kqz n TYR 533 Cb 0.23 -0.55 0.24 0.00 -1.03 0.00 0.00 39.34 38.23 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 0.72 -0.13 -0.72 9.65 -0.93 -1.18 114.38 121.78 3kqz h ARG 534 Ca 0.00 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.88 3kqz h ARG 534 Cb 0.61 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 3kqz h ARG 534 CO 0.00 0.48 0.12 0.00 2.80 0.00 0.00 179.97 183.36 3kqz h ALA 535 N 1.56 1.90 0.00 2.80 0.00 -1.76 -0.58 119.26 123.17 3kqz h ALA 535 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3kqz h ALA 535 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kqz h ALA 535 CO -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.73 3kqz h THR 536 N 0.00 0.00 -0.38 0.00 1.03 -1.49 -2.09 112.91 109.98 3kqz h THR 536 Ca 0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 3kqz h THR 536 Cb 0.30 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 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 -2.54 2.51 -4.56 0.00 4.77 -0.22 -4.54 117.00 112.40 3kqz n LEU 537 Ca 0.00 -1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 54.49 3kqz n LEU 537 Cb 0.18 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3kqz n LEU 537 CO 0.19 0.58 1.47 0.20 -1.33 0.00 0.00 177.39 178.51 3kqz s ASN 538 N -1.26 5.74 0.36 -1.43 0.01 -0.79 0.28 114.94 117.85 3kqz s ASN 538 Ca 0.34 -1.24 -0.29 0.00 -0.71 0.00 0.00 52.86 50.96 3kqz s ASN 538 Cb 0.18 -2.57 -0.11 0.00 0.41 0.00 0.00 41.25 39.16 3kqz s ASN 538 CO 0.25 -2.23 1.53 -0.55 -1.51 0.00 0.00 177.10 174.60 3kqz s SER 539 N 6.44 6.32 0.55 -1.22 0.15 -1.26 -4.86 113.70 119.82 3kqz s SER 539 Ca 0.60 3.05 0.23 0.00 0.70 0.00 0.00 55.95 60.53 3kqz s SER 539 Cb -0.03 -2.66 1.47 0.00 -1.71 0.00 0.00 66.02 63.09 3kqz s SER 539 CO -0.01 -0.91 2.11 0.50 1.20 0.00 0.00 173.24 176.13 3kqz h LYS 540 N 3.51 0.00 0.00 5.44 1.63 -1.97 -3.37 116.57 121.81 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 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 3kqz h LYS 540 CO 0.68 0.00 -0.87 0.66 -3.45 0.00 0.00 179.45 176.47 3kqz n TYR 541 N -4.23 0.00 -2.79 1.91 4.01 -1.26 -5.07 117.16 109.73 3kqz n TYR 541 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.54 3kqz n TYR 541 Cb 0.28 0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.89 4.16 0.16 -0.72 0.00 -1.26 -5.00 121.76 117.21 3kqz s ALA 542 Ca 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 51.96 49.94 3kqz s ALA 542 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.38 3kqz s ALA 542 CO 0.00 -1.19 1.54 -0.44 0.00 0.00 0.00 175.76 175.67 3kqz h ASP 543 N -0.21 1.00 -4.26 0.00 3.32 -1.67 -3.39 116.42 111.21 3kqz h ASP 543 Ca -0.33 -0.40 -0.17 0.00 0.02 0.00 0.00 57.03 56.15 3kqz h ASP 543 Cb 1.28 -0.28 -0.24 0.00 0.22 0.00 0.00 39.33 40.31 3kqz h ASP 543 CO 0.40 1.19 -0.52 -0.51 -1.72 0.00 0.00 179.24 178.08 3kqz s ILE 544 N -4.60 0.03 0.33 0.35 2.07 -0.71 -4.50 121.20 114.16 3kqz s ILE 544 Ca -0.11 -0.28 -0.28 0.00 -1.41 0.00 0.00 60.65 58.58 3kqz s ILE 544 Cb 0.12 -0.30 -0.09 0.00 0.13 0.00 0.00 42.46 42.32 3kqz s ILE 544 CO 0.87 -0.15 1.10 0.20 -1.91 0.00 0.00 174.94 175.05 3kqz s ASN 545 N -0.50 7.03 0.15 4.50 0.01 0.14 -1.20 114.94 125.08 3kqz s ASN 545 Ca -0.06 2.23 -0.12 0.00 -0.71 0.00 0.00 52.86 54.21 3kqz s ASN 545 Cb -0.04 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 39.02 3kqz s ASN 545 CO 0.01 -0.31 1.57 -0.61 -1.51 0.00 0.00 177.10 176.25 3kqz h GLN 546 N 3.32 0.90 -5.09 -0.60 4.15 -1.65 -3.46 115.11 112.68 3kqz h GLN 546 Ca -0.47 -0.32 -0.44 0.00 0.77 0.00 0.00 58.65 58.18 3kqz h GLN 546 Cb 1.22 -0.06 -0.14 0.00 0.21 0.00 0.00 27.48 28.70 3kqz h GLN 546 CO 0.65 0.97 -0.60 0.96 -1.93 0.00 0.00 178.83 178.88 3kqz s ILE 547 N -4.87 0.91 0.15 2.39 -4.36 -1.26 -4.91 121.20 109.25 3kqz s ILE 547 Ca -0.12 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.15 3kqz s ILE 547 Cb 0.12 -2.69 -0.07 0.00 1.25 0.00 0.00 42.46 41.06 3kqz s ILE 547 CO 0.84 0.00 0.51 -0.55 0.24 0.00 0.00 174.94 175.97 3kqz s SER 548 N -3.44 6.72 -0.01 4.36 0.15 -1.26 -4.74 113.70 115.48 3kqz s SER 548 Ca 0.36 0.95 0.14 0.00 0.70 0.00 0.00 55.95 58.10 3kqz s SER 548 Cb 0.08 -2.24 -0.20 0.00 -1.71 0.00 0.00 66.02 61.95 3kqz s SER 548 CO 0.15 0.07 0.72 -1.54 1.20 0.00 0.00 173.24 173.84 3kqz n SER 549 N 0.57 0.88 -0.02 5.45 3.41 -1.26 -4.75 113.62 117.90 3kqz n SER 549 Ca -0.04 0.41 -0.03 0.00 -0.26 0.00 0.00 58.87 58.95 3kqz n SER 549 Cb 0.52 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 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 -3.00 0.67 -4.45 4.04 3.41 -1.26 -4.99 113.62 108.04 3kqz n SER 550 Ca -0.15 0.11 -0.55 0.00 -0.26 0.00 0.00 58.87 58.02 3kqz n SER 550 Cb 0.99 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 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 -3.17 0.16 1.18 -3.33 0.31 -1.26 -4.85 118.33 107.36 3kqz n VAL 551 Ca -0.04 -0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.28 3kqz n VAL 551 Cb 0.16 -1.22 0.66 0.00 -0.91 0.00 0.00 33.84 32.53 3kqz n VAL 551 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kqz n LYS 552 N 7.32 0.26 -1.65 5.55 5.02 -1.26 -4.36 118.16 129.04 3kqz n LYS 552 Ca 0.42 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 3kqz n LYS 552 Cb 0.13 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqz n ALA 553 N -1.36 5.66 0.10 7.82 0.00 -1.26 -4.76 120.51 126.71 3kqz n ALA 553 Ca 0.11 -3.80 -0.02 0.00 0.00 0.00 0.00 53.44 49.73 3kqz n ALA 553 Cb 0.25 -3.52 0.22 0.00 0.00 0.00 0.00 19.45 16.40 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 5.98 0.24 -0.46 0.00 4.64 -1.98 -1.60 113.55 120.38 3kqz h SER 554 Ca 0.60 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.76 3kqz h SER 554 Cb 0.60 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3kqz h SER 554 CO 1.88 0.64 0.12 0.28 -0.87 0.00 0.00 176.83 178.88 3kqz h SER 555 N 0.19 0.74 -0.17 4.97 0.02 -1.93 0.60 113.55 117.96 3kqz h SER 555 Ca 0.02 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 3kqz h SER 555 Cb 0.83 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 3kqz h SER 555 CO 0.07 0.73 -0.17 0.40 -1.14 0.00 0.00 176.83 176.71 3kqz h ILE 556 N 0.77 1.34 -0.42 3.27 2.04 -1.72 -2.70 117.51 120.07 3kqz h ILE 556 Ca 0.17 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.71 3kqz h ILE 556 Cb 0.29 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3kqz h ILE 556 CO -0.00 0.40 0.26 0.58 0.00 0.00 0.00 178.15 179.38 3kqz h VAL 557 N 0.07 1.06 -1.00 1.67 2.07 -0.79 0.14 116.25 119.47 3kqz h VAL 557 Ca 0.03 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.49 3kqz h VAL 557 Cb 0.71 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 3kqz h VAL 557 CO 0.04 0.09 0.62 0.00 0.02 0.00 0.00 177.57 178.35 3kqz h ALA 558 N 1.18 1.51 -0.29 1.67 0.00 0.21 -0.42 119.26 123.11 3kqz h ALA 558 Ca 0.17 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3kqz h ALA 558 Cb -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kqz h ALA 558 CO -0.07 0.21 -0.35 0.77 0.00 0.00 0.00 179.25 179.81 3kqz h SER 559 N 0.98 0.81 -0.94 0.00 0.02 -0.81 -1.43 113.55 112.19 3kqz h SER 559 Ca 0.50 -0.49 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 3kqz h SER 559 Cb 0.50 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.72 3kqz h SER 559 CO -0.27 1.14 0.55 -0.07 -1.14 0.00 0.00 176.83 177.04 3kqz h LEU 560 N 0.51 0.76 -0.10 5.07 3.38 0.15 0.41 115.31 125.49 3kqz h LEU 560 Ca 0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kqz h LEU 560 Cb 0.93 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kqz h LEU 560 CO 0.08 0.36 0.04 0.15 0.09 0.00 0.00 178.44 179.17 3kqz h PHE 561 N 0.82 0.15 -0.29 1.13 3.04 -0.53 -2.99 116.94 118.28 3kqz h PHE 561 Ca 0.49 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 62.28 3kqz h PHE 561 Cb 0.59 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 3kqz h PHE 561 CO -0.04 0.26 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.03 3kqz h LEU 562 N -0.00 0.76 -1.78 0.59 3.38 -0.57 -0.55 115.31 117.12 3kqz h LEU 562 Ca 0.03 -0.35 0.35 0.00 0.09 0.00 0.00 57.88 58.00 3kqz h LEU 562 Cb 0.18 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3kqz h LEU 562 CO -0.00 1.08 0.85 0.50 0.09 0.00 0.00 178.44 180.95 3kqz h LYS 563 N 0.58 0.10 0.00 1.13 3.64 -0.07 0.12 116.57 122.07 3kqz h LYS 563 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kqz h LYS 563 Cb 0.96 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3kqz h LYS 563 CO 0.09 0.07 0.00 0.39 -2.27 0.00 0.00 179.45 177.73 3kqz n GLU 564 N -4.32 0.06 -0.34 1.90 -0.58 -0.22 -2.65 120.64 114.49 3kqz n GLU 564 Ca 0.28 0.20 0.07 0.00 -0.42 0.00 0.00 57.16 57.29 3kqz n GLU 564 Cb 1.22 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 30.81 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 -1.45 0.78 -3.83 -0.32 3.01 0.43 -4.81 117.46 111.27 3kqz n PHE 565 Ca 0.05 -0.67 -0.28 0.00 1.01 0.00 0.00 57.45 57.56 3kqz n PHE 565 Cb 0.18 -0.17 -0.16 0.00 -0.01 0.00 0.00 39.48 39.31 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 -1.85 0.92 -0.19 -4.37 1.01 -1.09 -3.72 120.40 111.11 3kqz s VAL 566 Ca 0.34 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 3kqz s VAL 566 Cb 0.24 -1.26 -0.20 0.00 0.00 0.00 0.00 36.38 35.16 3kqz s VAL 566 CO 0.14 -0.06 0.26 -0.61 0.00 0.00 0.00 175.10 174.83 3kqz h GLN 567 N 8.14 0.04 -0.25 2.72 5.75 -1.87 -3.44 115.11 126.21 3kqz h GLN 567 Ca -0.19 -0.07 -0.21 0.00 -0.15 0.00 0.00 58.65 58.03 3kqz h GLN 567 Cb 1.11 0.02 -0.30 0.00 1.07 0.00 0.00 27.48 29.38 3kqz h GLN 567 CO 0.37 1.03 -0.79 -1.71 -2.65 0.00 0.00 178.83 175.08 3kqz n ASN 568 N -4.32 0.40 -4.02 -0.69 5.15 -1.26 -5.07 115.26 105.46 3kqz n ASN 568 Ca -0.31 -2.09 -0.14 0.00 -0.60 0.00 0.00 54.58 51.44 3kqz n ASN 568 Cb 0.72 -0.04 -0.13 0.00 -0.53 0.00 0.00 39.78 39.81 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 -2.18 0.46 0.17 -0.44 2.01 -1.26 -5.11 115.64 109.29 3kqz s THR 569 Ca 0.20 -0.74 -0.32 0.00 0.31 0.00 0.00 61.69 61.15 3kqz s THR 569 Cb 0.36 -0.48 -0.11 0.00 0.01 0.00 0.00 72.50 72.28 3kqz s THR 569 CO -0.08 -0.20 1.69 0.00 -0.69 0.00 0.00 174.62 175.35 3kqz s ALA 570 N -0.89 3.85 -0.02 7.40 0.00 -1.25 -4.94 121.76 125.90 3kqz s ALA 570 Ca -0.06 1.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 3kqz s ALA 570 Cb -0.07 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3kqz s ALA 570 CO 0.00 -0.95 0.06 -0.46 0.00 0.00 0.00 175.76 174.41 3kqz s TRP 571 N 1.54 -0.03 0.04 0.00 -0.00 -1.25 -1.28 118.94 117.95 3kqz s TRP 571 Ca 0.74 0.09 -0.02 0.00 -0.00 0.00 0.00 56.10 56.91 3kqz s TRP 571 Cb -0.47 -0.00 -0.03 0.00 -0.00 0.00 0.00 33.47 32.97 3kqz s TRP 571 CO 0.33 -0.07 0.01 0.00 -0.00 0.00 0.00 176.95 177.22 3kqz s ALA 572 N -0.20 0.27 -0.04 5.86 0.00 0.29 -1.12 121.76 126.82 3kqz s ALA 572 Ca -0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 3kqz s ALA 572 Cb -0.02 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.39 3kqz s ALA 572 CO 0.00 -0.33 0.02 -1.58 0.00 0.00 0.00 175.76 173.87 3kqz s HIS 573 N -3.19 0.29 -0.27 0.00 5.04 0.87 -0.89 115.29 117.14 3kqz s HIS 573 Ca 0.00 0.04 -0.02 0.00 -1.54 0.00 0.00 55.06 53.54 3kqz s HIS 573 Cb 0.03 -0.48 0.03 0.00 0.04 0.00 0.00 32.58 32.20 3kqz s HIS 573 CO -0.07 -0.17 -0.03 0.42 -2.34 0.00 0.00 174.74 172.55 3kqz s ILE 574 N 1.44 3.02 -0.39 0.89 1.01 0.40 -0.56 121.20 127.03 3kqz s ILE 574 Ca -0.04 -1.12 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 3kqz s ILE 574 Cb -0.13 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3kqz s ILE 574 CO -0.03 0.08 0.39 -0.62 0.00 0.00 0.00 174.94 174.76 3kqz s ASP 575 N 1.32 6.17 -0.14 3.58 -1.08 0.02 -1.11 116.67 125.43 3kqz s ASP 575 Ca -0.01 -0.53 0.16 0.00 -0.52 0.00 0.00 52.55 51.64 3kqz s ASP 575 Cb -0.18 -2.20 0.49 0.00 -1.46 0.00 0.00 42.92 39.57 3kqz s ASP 575 CO -0.03 -0.46 1.39 2.30 0.52 0.00 0.00 175.17 178.89 3kqz n ILE 576 N 5.32 2.05 -0.08 4.11 -5.35 0.01 -2.62 119.36 122.79 3kqz n ILE 576 Ca -0.09 -1.72 0.14 0.00 -0.27 0.00 0.00 62.75 60.82 3kqz n ILE 576 Cb 0.48 -0.11 0.54 0.00 -1.74 0.00 0.00 39.64 38.81 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 1.83 2.13 0.00 -1.28 0.00 -1.82 -1.59 119.26 118.53 3kqz h ALA 577 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3kqz h ALA 577 Cb 1.31 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3kqz h ALA 577 CO 0.18 -0.28 -1.44 0.78 0.00 0.00 0.00 179.25 178.49 3kqz h GLY 578 N 0.33 0.00 0.00 0.00 0.00 -1.82 -3.39 103.07 98.19 3kqz h GLY 578 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3kqz h GLY 578 CO -0.07 0.00 -1.03 3.33 0.00 0.00 0.00 176.54 178.77 3kqz n VAL 579 N -3.05 0.00 -0.04 4.60 0.24 -0.91 -4.07 118.33 115.10 3kqz n VAL 579 Ca -0.11 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 61.87 3kqz n VAL 579 Cb 0.95 0.70 0.07 0.00 -1.47 0.00 0.00 33.84 34.09 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 0.71 -3.33 -1.34 0.87 -1.51 -3.43 113.55 105.53 3kqz h SER 580 Ca 0.00 -0.33 -0.62 0.00 -1.23 0.00 0.00 61.79 59.62 3kqz h SER 580 Cb 0.46 -0.20 -0.16 0.00 -0.44 0.00 0.00 62.40 62.06 3kqz h SER 580 CO 0.00 1.04 -0.55 0.86 -0.53 0.00 0.00 176.83 177.64 3kqz s TRP 581 N -4.26 3.27 -0.85 2.24 -0.11 -1.26 -1.15 118.94 116.82 3kqz s TRP 581 Ca -0.08 0.09 -0.23 0.00 1.22 0.00 0.00 56.10 57.09 3kqz s TRP 581 Cb 0.12 -2.11 0.06 0.00 -1.50 0.00 0.00 33.47 30.04 3kqz s TRP 581 CO 0.84 0.14 1.24 1.21 -4.62 0.00 0.00 176.95 175.76 3kqz s ASN 582 N 0.49 6.35 0.22 5.86 3.84 0.45 -4.88 114.94 127.28 3kqz s ASN 582 Ca 0.04 -1.17 -0.07 0.00 0.21 0.00 0.00 52.86 51.88 3kqz s ASN 582 Cb -0.12 -2.50 0.19 0.00 -0.55 0.00 0.00 41.25 38.27 3kqz s ASN 582 CO 0.00 -1.51 1.78 -0.26 -2.79 0.00 0.00 177.10 174.33 3kqz h PHE 583 N 9.65 1.17 -0.49 0.43 -1.00 -1.97 0.36 116.94 125.09 3kqz h PHE 583 Ca -0.05 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.60 3kqz h PHE 583 Cb 1.04 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 3kqz h PHE 583 CO 1.15 0.89 0.16 -0.22 -1.61 0.00 0.00 178.31 178.69 3kqz h LYS 584 N 1.11 0.76 -0.01 1.51 1.63 -1.95 -2.63 116.57 117.00 3kqz h LYS 584 Ca 0.25 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3kqz h LYS 584 Cb 0.24 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3kqz h LYS 584 CO -0.02 0.70 -0.29 0.00 -3.45 0.00 0.00 179.45 176.39 3kqz n ALA 585 N -2.35 3.15 -3.53 5.00 0.00 -1.00 -4.96 120.51 116.82 3kqz n ALA 585 Ca 0.01 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 3kqz n ALA 585 Cb 0.18 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 18.61 3kqz n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqz n ARG 586 N -0.66 -7.44 -3.63 0.00 1.74 0.12 -5.01 116.66 101.78 3kqz n ARG 586 Ca 0.12 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.93 3kqz n ARG 586 Cb 0.36 -5.85 -0.02 0.00 -1.02 0.00 0.00 32.46 25.93 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 -5.96 1.52 0.78 5.56 -2.85 -1.06 -5.02 119.74 112.71 3kqz s LYS 587 Ca 0.38 -0.72 -0.11 0.00 -1.00 0.00 0.00 55.97 54.51 3kqz s LYS 587 Cb -0.17 0.60 0.06 0.00 -2.06 0.00 0.00 37.83 36.26 3kqz s LYS 587 CO 0.72 -0.68 1.08 -2.14 0.10 0.00 0.00 175.35 174.44 3kqz s PRO 588 N -3.83 2.24 0.04 1.78 0.02 -1.26 -0.41 135.00 133.57 3kqz s PRO 588 Ca 0.06 0.85 0.22 0.00 0.02 0.00 0.00 61.00 62.15 3kqz s PRO 588 Cb -0.03 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 3kqz s PRO 588 CO -0.03 -1.57 0.87 1.63 -0.33 0.00 0.00 177.00 177.57 3kqz n LYS 589 N -3.43 0.40 -1.78 5.54 5.02 -0.30 -4.61 118.16 119.00 3kqz n LYS 589 Ca 0.07 -0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 3kqz n LYS 589 Cb 0.55 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3kqz n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 590 N 1.33 0.41 3.74 0.72 0.00 -1.26 -4.90 105.19 105.23 3kqz n GLY 590 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.34 2.84 0.00 1.61 5.36 -1.26 -3.01 117.98 121.18 3kqz s PHE 591 Ca 0.00 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.56 3kqz s PHE 591 Cb 0.00 -4.09 0.00 0.00 -0.34 0.00 0.00 43.02 38.59 3kqz s PHE 591 CO 0.00 -3.88 0.00 0.41 -1.46 0.00 0.00 175.22 170.29 3kqz n GLY 592 N 3.01 2.06 0.18 13.12 0.00 -1.26 -4.65 105.19 117.66 3kqz n GLY 592 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 0.72 -0.34 1.61 2.07 -1.73 0.15 116.25 118.72 3kqz h VAL 593 Ca 0.00 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 3kqz h VAL 593 Cb 0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3kqz h VAL 593 CO 0.00 0.01 -0.30 0.03 0.02 0.00 0.00 177.57 177.33 3kqz h ARG 594 N -0.41 0.72 0.33 1.57 3.08 -1.90 -0.32 114.38 117.46 3kqz h ARG 594 Ca -0.04 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3kqz h ARG 594 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3kqz h ARG 594 CO 0.07 0.93 -0.21 1.25 -1.07 0.00 0.00 179.97 180.94 3kqz h LEU 595 N 0.62 -0.52 -1.04 3.04 5.85 -1.78 0.16 115.31 121.65 3kqz h LEU 595 Ca 0.07 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3kqz h LEU 595 Cb 0.81 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3kqz h LEU 595 CO 0.07 -0.33 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.47 3kqz h LEU 596 N -0.52 0.32 -0.29 2.25 3.38 -0.55 0.34 115.31 120.25 3kqz h LEU 596 Ca -0.03 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3kqz h LEU 596 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kqz h LEU 596 CO 0.03 0.61 -0.33 0.74 0.09 0.00 0.00 178.44 179.58 3kqz h THR 597 N 0.28 1.30 -0.93 0.22 2.02 -0.75 -1.75 112.91 113.29 3kqz h THR 597 Ca 0.04 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 3kqz h THR 597 Cb 0.67 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 3kqz h THR 597 CO 0.05 0.48 0.58 -0.33 0.37 0.00 0.00 175.52 176.67 3kqz h GLU 598 N 0.48 1.25 -0.44 6.66 4.39 -0.42 -1.28 114.58 125.22 3kqz h GLU 598 Ca 0.04 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.71 3kqz h GLU 598 Cb 0.91 -0.27 -0.06 0.00 -0.10 0.00 0.00 28.75 29.23 3kqz h GLU 598 CO 0.08 0.86 0.09 0.35 -1.16 0.00 0.00 179.01 179.23 3kqz h PHE 599 N 1.28 0.15 0.06 4.33 3.57 -0.69 -0.84 116.94 124.80 3kqz h PHE 599 Ca 0.34 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.58 3kqz h PHE 599 Cb -0.08 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.68 3kqz h PHE 599 CO 0.00 0.01 -1.14 -0.39 -2.23 0.00 0.00 178.31 174.56 3kqz h VAL 600 N 0.23 1.30 -0.29 1.41 -1.51 -0.85 -3.12 116.25 113.42 3kqz h VAL 600 Ca 0.22 -2.40 -0.13 0.00 -1.23 0.00 0.00 66.70 63.16 3kqz h VAL 600 Cb 0.27 2.55 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 3kqz h VAL 600 CO -0.28 0.73 -0.34 -0.07 -1.23 0.00 0.00 177.57 176.38 3kqz h LEU 601 N 0.31 0.80 -1.98 4.19 4.07 -1.19 -3.11 115.31 118.41 3kqz h LEU 601 Ca -0.15 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.32 3kqz h LEU 601 Cb 1.80 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.31 3kqz h LEU 601 CO 0.22 1.13 0.00 0.59 -1.08 0.00 0.00 178.44 179.29 3kqz n ASN 602 N -4.21 2.93 0.00 -0.43 3.02 -0.33 -5.05 115.26 111.19 3kqz n ASN 602 Ca -0.04 -2.17 0.09 0.00 -0.03 0.00 0.00 54.58 52.43 3kqz n ASN 602 Cb 0.50 -0.40 0.51 0.00 -0.61 0.00 0.00 39.78 39.78 3kqz n ASN 602 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74