#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s GLU 87 N 0.00 4.35 -0.22 -1.46 8.01 -1.26 -4.94 118.70 123.18 3kqz s GLU 87 Ca 0.00 1.99 -0.23 0.00 0.01 0.00 0.00 54.97 56.75 3kqz s GLU 87 Cb 0.00 -3.27 -0.02 0.00 -4.31 0.00 0.00 34.13 26.53 3kqz s GLU 87 CO 0.00 -0.39 0.72 0.08 0.01 0.00 0.00 175.26 175.68 3kqz s VAL 88 N 1.09 4.93 0.71 2.63 1.01 -1.26 -5.03 120.40 124.48 3kqz s VAL 88 Ca 0.63 1.36 -0.14 0.00 0.00 0.00 0.00 61.98 63.83 3kqz s VAL 88 Cb -0.35 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.03 3kqz s VAL 88 CO 0.30 0.02 1.12 -2.16 0.00 0.00 0.00 175.10 174.39 3kqz s PRO 89 N 2.36 2.48 0.09 2.72 0.04 -1.26 -4.96 135.00 136.47 3kqz s PRO 89 Ca 0.32 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.81 3kqz s PRO 89 Cb -0.16 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3kqz s PRO 89 CO 0.09 -1.51 -0.10 -0.65 0.04 0.00 0.00 177.00 174.88 3kqz s GLN 90 N -4.25 0.80 -0.22 4.56 -0.21 -1.26 -5.00 119.66 114.08 3kqz s GLN 90 Ca 0.67 -1.08 -0.08 0.00 0.02 0.00 0.00 55.36 54.89 3kqz s GLN 90 Cb -0.21 -0.52 -0.19 0.00 1.00 0.00 0.00 33.01 33.09 3kqz s GLN 90 CO 0.46 0.08 -0.01 0.28 -2.12 0.00 0.00 175.29 173.98 3kqz n VAL 91 N 0.75 1.59 -4.38 1.09 0.31 -1.26 -4.95 118.33 111.49 3kqz n VAL 91 Ca -0.17 -0.47 -0.23 0.00 -0.01 0.00 0.00 64.34 63.46 3kqz n VAL 91 Cb 0.57 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.68 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 2.06 0.19 2.52 -7.23 -1.26 -5.04 120.40 109.13 3kqz s VAL 92 Ca -0.31 -2.04 0.31 0.00 -1.81 0.00 0.00 61.98 58.13 3kqz s VAL 92 Cb 0.09 -2.00 0.31 0.00 0.56 0.00 0.00 36.38 35.34 3kqz s VAL 92 CO 0.62 -0.29 1.96 0.77 -0.31 0.00 0.00 175.10 177.85 3kqz h SER 93 N 3.04 0.00 -0.03 4.85 4.64 -2.03 -1.02 113.55 123.00 3kqz h SER 93 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 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 0.52 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.66 3kqz n LEU 94 N -2.61 0.66 -4.73 5.97 4.77 -1.26 -4.84 117.00 114.96 3kqz n LEU 94 Ca -0.02 -0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.30 3kqz n LEU 94 Cb 0.06 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3kqz n LEU 94 CO 0.14 0.12 0.76 -1.81 -1.33 0.00 0.00 177.39 175.28 3kqz s ASP 95 N -1.81 7.31 0.51 -1.43 1.01 -0.39 -4.98 116.67 116.89 3kqz s ASP 95 Ca 0.38 1.99 -0.22 0.00 0.71 0.00 0.00 52.55 55.40 3kqz s ASP 95 Cb 0.19 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 3kqz s ASP 95 CO 0.30 -0.21 1.27 -2.84 0.21 0.00 0.00 175.17 173.90 3kqz s PRO 96 N -0.06 3.39 -0.07 8.23 0.02 -1.26 -4.93 135.00 140.32 3kqz s PRO 96 Ca 0.50 2.01 0.11 0.00 0.02 0.00 0.00 61.00 63.64 3kqz s PRO 96 Cb -0.27 -2.30 0.25 0.00 0.02 0.00 0.00 34.50 32.19 3kqz s PRO 96 CO 0.33 -0.92 1.18 0.25 -0.33 0.00 0.00 177.00 177.50 3kqz n THR 97 N -0.83 1.49 -3.48 0.99 -2.24 -1.26 -4.86 114.28 104.08 3kqz n THR 97 Ca 0.09 -1.51 -0.11 0.00 -2.27 0.00 0.00 64.05 60.25 3kqz n THR 97 Cb 0.47 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3kqz n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqz s SER 98 N -1.68 -0.51 -0.06 3.42 1.04 -1.26 -4.75 113.70 109.89 3kqz s SER 98 Ca 0.22 -0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.30 3kqz s SER 98 Cb 0.17 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 3kqz s SER 98 CO 0.06 -0.97 0.93 -0.63 0.98 0.00 0.00 173.24 173.62 3kqz s ILE 99 N -3.68 4.87 0.13 -1.02 1.01 -1.25 -4.86 121.20 116.39 3kqz s ILE 99 Ca 0.03 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 3kqz s ILE 99 Cb -0.02 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 3kqz s ILE 99 CO -0.10 0.11 1.01 -2.16 0.00 0.00 0.00 174.94 173.80 3kqz s PRO 100 N 1.44 4.66 -0.06 2.79 0.04 -1.26 -5.00 135.00 137.60 3kqz s PRO 100 Ca 0.47 1.54 0.03 0.00 0.04 0.00 0.00 61.00 63.08 3kqz s PRO 100 Cb -0.19 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.01 3kqz s PRO 100 CO 0.21 0.15 -0.13 0.42 0.04 0.00 0.00 177.00 177.70 3kqz s ILE 101 N -0.02 1.14 -0.30 0.56 1.01 -1.26 -4.97 121.20 117.35 3kqz s ILE 101 Ca 0.48 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 3kqz s ILE 101 Cb -0.25 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.20 3kqz s ILE 101 CO 0.31 0.35 0.09 -0.70 0.00 0.00 0.00 174.94 174.99 3kqz s GLU 102 N 0.51 3.00 -0.26 2.79 2.12 -1.26 -4.95 118.70 120.65 3kqz s GLU 102 Ca -0.12 -0.92 -0.13 0.00 0.36 0.00 0.00 54.97 54.17 3kqz s GLU 102 Cb -0.14 -3.39 -0.15 0.00 0.26 0.00 0.00 34.13 30.71 3kqz s GLU 102 CO 0.03 -0.49 -0.19 0.66 -0.54 0.00 0.00 175.26 174.73 3kqz n TYR 103 N 4.86 0.26 -2.83 5.30 4.02 -1.26 -4.72 117.16 122.79 3kqz n TYR 103 Ca -0.14 0.10 -0.43 0.00 -0.01 0.00 0.00 57.90 57.42 3kqz n TYR 103 Cb 0.47 -1.03 -0.03 0.00 -0.02 0.00 0.00 39.34 38.74 3kqz n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqz s ASN 104 N -7.22 6.45 0.29 7.72 -0.87 -1.26 -4.97 114.94 115.09 3kqz s ASN 104 Ca -0.36 -1.57 0.01 0.00 -1.57 0.00 0.00 52.86 49.37 3kqz s ASN 104 Cb 0.12 -2.44 -0.03 0.00 -0.02 0.00 0.00 41.25 38.87 3kqz s ASN 104 CO 0.54 -1.28 0.47 0.42 -2.57 0.00 0.00 177.10 174.67 3kqz s THR 105 N 3.60 5.16 0.61 1.60 -4.23 -1.26 -4.95 115.64 116.18 3kqz s THR 105 Ca 0.32 -0.57 0.32 0.00 -1.18 0.00 0.00 61.69 60.59 3kqz s THR 105 Cb -0.08 -3.83 0.37 0.00 1.34 0.00 0.00 72.50 70.30 3kqz s THR 105 CO -0.03 -0.41 2.20 -0.65 -0.54 0.00 0.00 174.62 175.19 3kqz h PRO 106 N 1.14 0.00 -0.44 3.99 0.11 -2.00 0.38 132.00 135.18 3kqz h PRO 106 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kqz h PRO 106 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3kqz h PRO 106 CO 0.63 0.00 0.24 0.82 -0.21 0.00 0.00 178.00 179.47 3kqz h ILE 107 N 0.00 1.14 0.00 4.15 1.08 -1.93 -1.60 117.51 120.34 3kqz h ILE 107 Ca 0.03 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 3kqz h ILE 107 Cb 0.22 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3kqz h ILE 107 CO -0.00 0.16 -0.10 0.45 -0.69 0.00 0.00 178.15 177.96 3kqz h HIS 108 N 0.61 0.00 -0.01 1.37 3.86 -1.29 -2.74 115.15 116.96 3kqz h HIS 108 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3kqz h HIS 108 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3kqz h HIS 108 CO 0.00 0.10 -0.09 -0.25 0.86 0.00 0.00 177.93 178.55 3kqz n ASP 109 N -3.69 0.61 -4.65 2.45 8.00 -0.61 -4.83 116.55 113.84 3kqz n ASP 109 Ca -0.02 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.26 3kqz n ASP 109 Cb 0.21 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.35 4.59 -0.10 0.53 1.01 -1.04 -4.82 121.20 119.03 3kqz s ILE 110 Ca 0.32 1.82 -0.30 0.00 0.00 0.00 0.00 60.65 62.50 3kqz s ILE 110 Cb 0.20 -4.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 3kqz s ILE 110 CO 0.45 -0.35 1.06 -0.54 0.00 0.00 0.00 174.94 175.56 3kqz s LYS 111 N 3.43 4.39 -0.20 2.79 3.01 0.03 -4.86 119.74 128.33 3kqz s LYS 111 Ca 0.44 1.47 -0.02 0.00 -1.01 0.00 0.00 55.97 56.84 3kqz s LYS 111 Cb -0.13 -3.56 -0.00 0.00 -1.01 0.00 0.00 37.83 33.13 3kqz s LYS 111 CO 0.11 -0.38 -0.09 0.08 0.51 0.00 0.00 175.35 175.58 3kqz s VAL 112 N 2.19 2.98 -0.13 3.17 1.01 -1.26 -0.02 120.40 128.34 3kqz s VAL 112 Ca 0.50 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3kqz s VAL 112 Cb -0.20 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3kqz s VAL 112 CO 0.18 0.46 -0.17 -1.10 0.00 0.00 0.00 175.10 174.47 3kqz s GLN 113 N 1.36 3.22 -0.15 2.72 -0.21 -0.44 -4.99 119.66 121.17 3kqz s GLN 113 Ca 0.05 -0.77 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 3kqz s GLN 113 Cb -0.14 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 3kqz s GLN 113 CO -0.06 0.14 0.09 0.08 -2.12 0.00 0.00 175.29 173.42 3kqz s VAL 114 N 0.50 5.03 0.22 1.09 1.01 -1.26 -1.11 120.40 125.88 3kqz s VAL 114 Ca -0.12 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.00 3kqz s VAL 114 Cb -0.16 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3kqz s VAL 114 CO 0.05 0.54 -0.19 -0.31 0.00 0.00 0.00 175.10 175.19 3kqz s TYR 115 N -0.34 2.04 0.08 5.22 1.51 0.11 -4.93 117.35 121.05 3kqz s TYR 115 Ca 0.10 -0.42 -0.26 0.00 -1.01 0.00 0.00 57.07 55.48 3kqz s TYR 115 Cb -0.12 -0.95 -0.06 0.00 -0.11 0.00 0.00 41.96 40.72 3kqz s TYR 115 CO 0.01 0.50 0.79 0.34 -1.11 0.00 0.00 175.55 176.09 3kqz s ASP 116 N -3.10 7.29 0.44 2.29 -1.08 -1.26 -1.69 116.67 119.57 3kqz s ASP 116 Ca 0.23 1.54 0.21 0.00 -0.52 0.00 0.00 52.55 54.01 3kqz s ASP 116 Cb -0.05 -2.49 1.05 0.00 -1.46 0.00 0.00 42.92 39.97 3kqz s ASP 116 CO 0.10 0.05 1.92 -0.29 0.52 0.00 0.00 175.17 177.47 3kqz h ILE 117 N 3.93 0.84 -0.07 4.11 2.10 -1.45 -3.10 117.51 123.87 3kqz h ILE 117 Ca -0.44 -0.95 0.02 0.00 1.08 0.00 0.00 64.86 64.56 3kqz h ILE 117 Cb 1.21 1.57 -0.00 0.00 -1.09 0.00 0.00 36.82 38.50 3kqz h ILE 117 CO 0.70 0.24 0.09 0.07 -1.08 0.00 0.00 178.15 178.16 3kqz h LYS 118 N 0.00 0.00 -0.27 2.19 -0.00 -1.92 -1.80 116.57 114.76 3kqz h LYS 118 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3kqz h LYS 118 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.78 3kqz h LYS 118 CO 0.03 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.89 3kqz n GLY 119 N -1.34 1.23 0.00 0.07 0.00 -1.17 -4.98 105.19 99.00 3kqz n GLY 119 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.39 -1.04 3.67 -0.02 0.00 -0.68 -4.95 105.19 103.56 3kqz n GLY 120 Ca 0.18 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N 1.03 7.24 -0.36 0.00 0.01 -1.26 -1.08 114.94 120.52 3kqz s ASN 122 Ca 0.12 1.49 0.04 0.00 -0.71 0.00 0.00 52.86 53.80 3kqz s ASN 122 Cb -0.14 -2.51 0.10 0.00 0.41 0.00 0.00 41.25 39.11 3kqz s ASN 122 CO 0.06 -0.21 0.08 -0.69 -1.51 0.00 0.00 177.10 174.82 3kqz s VAL 123 N 0.93 2.37 0.00 1.60 1.01 -1.26 -4.92 120.40 120.12 3kqz s VAL 123 Ca 0.47 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 60.03 3kqz s VAL 123 Cb -0.20 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3kqz s VAL 123 CO 0.25 -0.62 0.00 -0.62 0.00 0.00 0.00 175.10 174.10 3kqz n GLU 124 N 4.17 2.93 -3.84 2.72 1.02 -1.26 -4.87 120.64 121.51 3kqz n GLU 124 Ca 0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 3kqz n GLU 124 Cb 0.41 -0.66 0.02 0.00 -0.02 0.00 0.00 31.44 31.19 3kqz n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kqz s GLU 125 N -1.00 1.76 1.95 3.49 -1.05 -1.26 -4.95 118.70 117.63 3kqz s GLU 125 Ca 0.00 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 3kqz s GLU 125 Cb 0.00 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 3kqz s GLU 125 CO 0.00 -0.82 0.00 0.41 0.95 0.00 0.00 175.26 175.80 3kqz n GLY 126 N -0.60 2.38 3.13 -3.83 0.00 -1.26 -4.63 105.19 100.39 3kqz n GLY 126 Ca -0.06 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 3kqz n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqz s LEU 127 N 0.00 1.91 -0.23 0.99 2.96 -0.28 -2.19 118.68 121.84 3kqz s LEU 127 Ca 0.00 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3kqz s LEU 127 Cb 0.00 -1.00 0.04 0.00 0.50 0.00 0.00 46.19 45.73 3kqz s LEU 127 CO 0.00 0.15 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.16 3kqz s THR 128 N 0.10 2.35 -0.18 3.68 2.01 -0.61 0.40 115.64 123.39 3kqz s THR 128 Ca -0.06 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.66 3kqz s THR 128 Cb -0.12 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3kqz s THR 128 CO 0.03 0.22 0.02 -0.63 -0.69 0.00 0.00 174.62 173.56 3kqz s ILE 129 N 1.23 4.30 -0.17 1.82 -1.09 0.11 0.33 121.20 127.73 3kqz s ILE 129 Ca -0.02 -0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.04 3kqz s ILE 129 Cb -0.17 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 3kqz s ILE 129 CO -0.07 0.46 0.39 -0.36 -1.23 0.00 0.00 174.94 174.13 3kqz s PHE 130 N 0.55 3.43 -0.44 3.97 0.40 -0.38 0.80 117.98 126.32 3kqz s PHE 130 Ca 0.00 0.68 -0.22 0.00 -0.60 0.00 0.00 56.93 56.79 3kqz s PHE 130 Cb -0.14 -2.48 0.02 0.00 0.51 0.00 0.00 43.02 40.93 3kqz s PHE 130 CO 0.02 0.10 0.74 -0.51 0.70 0.00 0.00 175.22 176.27 3kqz s LEU 131 N 0.91 4.32 -0.00 -0.37 1.43 0.13 -1.03 118.68 124.06 3kqz s LEU 131 Ca 0.20 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3kqz s LEU 131 Cb -0.14 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 3kqz s LEU 131 CO 0.07 -0.86 -0.08 0.54 0.23 0.00 0.00 176.35 176.25 3kqz s VAL 132 N 3.14 0.65 0.44 -1.59 0.11 -1.03 -0.70 120.40 121.41 3kqz s VAL 132 Ca 0.28 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 3kqz s VAL 132 Cb -0.13 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3kqz s VAL 132 CO 0.21 0.17 0.05 0.54 -3.33 0.00 0.00 175.10 172.75 3kqz s ASN 133 N -0.23 3.42 -0.38 3.54 4.22 -1.26 -1.04 114.94 123.20 3kqz s ASN 133 Ca 0.03 -1.59 0.02 0.00 -2.14 0.00 0.00 52.86 49.19 3kqz s ASN 133 Cb -0.03 0.31 0.16 0.00 1.28 0.00 0.00 41.25 42.96 3kqz s ASN 133 CO -0.00 -0.79 0.33 0.21 -2.04 0.00 0.00 177.10 174.80 3kqz s ASN 134 N -3.71 1.74 0.01 3.54 3.84 -0.75 -4.83 114.94 114.78 3kqz s ASN 134 Ca 0.20 -2.24 -0.31 0.00 0.21 0.00 0.00 52.86 50.71 3kqz s ASN 134 Cb 0.04 0.01 -0.10 0.00 -0.55 0.00 0.00 41.25 40.65 3kqz s ASN 134 CO 0.11 -0.24 1.94 -2.65 -2.79 0.00 0.00 177.10 173.46 3kqz n PRO 135 N 3.69 2.67 0.00 0.43 -0.02 -1.26 -2.78 135.00 137.72 3kqz n PRO 135 Ca 0.17 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 3kqz n PRO 135 Cb 0.44 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 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 4.49 2.61 3.55 -1.23 0.00 -0.30 -5.00 105.19 109.31 3kqz n GLY 136 Ca 0.21 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 2.53 -0.17 1.61 -2.85 -1.12 -4.94 119.74 114.79 3kqz s LYS 137 Ca 0.00 0.67 -0.34 0.00 -1.00 0.00 0.00 55.97 55.30 3kqz s LYS 137 Cb 0.00 -4.47 -0.11 0.00 -2.06 0.00 0.00 37.83 31.20 3kqz s LYS 137 CO 0.00 -2.88 2.00 0.39 0.10 0.00 0.00 175.35 174.96 3kqz n GLU 138 N 9.14 1.87 -3.65 1.78 4.71 -1.26 -0.62 120.64 132.61 3kqz n GLU 138 Ca 0.24 0.63 -0.27 0.00 -0.01 0.00 0.00 57.16 57.76 3kqz n GLU 138 Cb 0.52 -2.68 0.03 0.00 -1.01 0.00 0.00 31.44 28.30 3kqz n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kqz n ASN 139 N 8.12 -5.14 -4.00 1.62 3.02 -1.26 -4.98 115.26 112.64 3kqz n ASN 139 Ca 0.28 -0.61 -0.30 0.00 -0.03 0.00 0.00 54.58 53.93 3kqz n ASN 139 Cb 0.30 -4.11 0.23 0.00 -0.61 0.00 0.00 39.78 35.58 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kqz s GLY 140 N -3.12 1.58 0.73 7.41 0.00 0.21 -4.45 107.32 109.68 3kqz s GLY 140 Ca 0.56 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 3kqz s GLY 140 CO 0.69 0.00 1.07 2.56 0.00 0.00 0.00 173.10 177.43 3kqz s PRO 141 N -5.31 2.61 -0.13 2.90 0.04 -1.26 -1.26 135.00 132.59 3kqz s PRO 141 Ca 0.70 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 3kqz s PRO 141 Cb -0.12 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3kqz s PRO 141 CO 0.56 -1.35 0.94 0.08 0.04 0.00 0.00 177.00 177.27 3kqz s VAL 142 N -2.99 4.83 -0.16 -0.36 1.01 -0.46 -4.64 120.40 117.63 3kqz s VAL 142 Ca 0.59 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 64.42 3kqz s VAL 142 Cb -0.15 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.04 3kqz s VAL 142 CO 0.55 0.02 0.06 -0.54 0.00 0.00 0.00 175.10 175.20 3kqz s LYS 143 N 2.02 0.32 0.11 2.72 1.02 -1.26 -4.49 119.74 120.18 3kqz s LYS 143 Ca 0.44 -0.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.96 3kqz s LYS 143 Cb -0.18 -1.80 -0.07 0.00 -0.52 0.00 0.00 37.83 35.26 3kqz s LYS 143 CO 0.16 -0.61 1.26 0.42 -0.92 0.00 0.00 175.35 175.66 3kqz s ILE 144 N 2.02 3.66 -0.10 2.17 -1.09 -1.26 -4.94 121.20 121.65 3kqz s ILE 144 Ca 0.01 1.24 0.15 0.00 -2.23 0.00 0.00 60.65 59.82 3kqz s ILE 144 Cb -0.16 -3.80 -0.22 0.00 -1.58 0.00 0.00 42.46 36.71 3kqz s ILE 144 CO -0.08 0.13 0.17 -1.54 -1.23 0.00 0.00 174.94 172.38 3kqz n SER 145 N 3.53 1.20 -4.76 3.58 3.41 -1.26 -4.98 113.62 114.34 3kqz n SER 145 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.29 3kqz n SER 145 Cb 0.45 1.20 -0.03 0.00 -0.26 0.00 0.00 64.21 65.57 3kqz n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kqz s SER 146 N -4.54 6.84 0.36 4.04 0.01 -1.26 -4.97 113.70 114.18 3kqz s SER 146 Ca -0.07 2.59 -0.28 0.00 1.31 0.00 0.00 55.95 59.49 3kqz s SER 146 Cb 0.07 -2.64 -0.11 0.00 0.21 0.00 0.00 66.02 63.55 3kqz s SER 146 CO 0.65 -0.50 1.51 -1.59 0.41 0.00 0.00 173.24 173.72 3kqz s LYS 147 N -1.32 4.11 -0.11 12.44 0.00 -1.26 -4.95 119.74 128.65 3kqz s LYS 147 Ca 0.51 2.58 0.04 0.00 0.00 0.00 0.00 55.97 59.10 3kqz s LYS 147 Cb -0.38 -2.98 0.00 0.00 0.00 0.00 0.00 37.83 34.47 3kqz s LYS 147 CO 0.48 -0.56 -0.23 0.08 0.00 0.00 0.00 175.35 175.12 3kqz s VAL 148 N -0.90 2.00 -1.35 1.79 1.01 -1.26 -1.98 120.40 119.70 3kqz s VAL 148 Ca 0.55 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 3kqz s VAL 148 Cb -0.47 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.24 3kqz s VAL 148 CO 0.60 0.55 2.53 0.59 0.00 0.00 0.00 175.10 179.37 3kqz n ASN 149 N 3.65 8.15 -3.28 3.32 3.02 -0.24 -4.73 115.26 125.15 3kqz n ASN 149 Ca -0.19 -3.02 0.03 0.00 -0.03 0.00 0.00 54.58 51.37 3kqz n ASN 149 Cb 0.53 -1.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.27 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kqz s ASP 150 N 0.77 -0.80 0.15 6.41 2.15 -1.26 -4.71 116.67 119.38 3kqz s ASP 150 Ca 0.58 0.73 -0.22 0.00 0.43 0.00 0.00 52.55 54.07 3kqz s ASP 150 Cb 0.19 1.76 0.03 0.00 -0.30 0.00 0.00 42.92 44.60 3kqz s ASP 150 CO -0.09 -0.15 1.63 0.07 -0.17 0.00 0.00 175.17 176.46 3kqz h LYS 151 N 7.84 -0.24 -0.22 4.34 2.10 -1.98 0.12 116.57 128.52 3kqz h LYS 151 Ca -0.17 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 3kqz h LYS 151 Cb 1.14 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3kqz h LYS 151 CO 0.07 -0.16 0.12 1.96 -2.00 0.00 0.00 179.45 179.45 3kqz h GLN 152 N -0.24 0.31 -0.25 0.07 1.08 -1.91 0.20 115.11 114.37 3kqz h GLN 152 Ca 0.13 -0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 57.11 3kqz h GLN 152 Cb 0.45 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3kqz h GLN 152 CO -0.37 0.29 -0.60 0.28 -0.95 0.00 0.00 178.83 177.48 3kqz h VAL 153 N 0.26 1.28 -0.89 -0.54 2.07 -1.80 -1.17 116.25 115.45 3kqz h VAL 153 Ca 0.08 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 65.89 3kqz h VAL 153 Cb 0.06 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3kqz h VAL 153 CO -0.01 0.58 0.58 0.28 0.02 0.00 0.00 177.57 179.01 3kqz h SER 154 N 0.62 0.85 -0.01 0.57 0.02 -0.58 -1.95 113.55 113.06 3kqz h SER 154 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3kqz h SER 154 Cb 1.20 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 3kqz h SER 154 CO 0.13 0.52 0.01 -0.33 -1.14 0.00 0.00 176.83 176.02 3kqz h GLU 155 N 0.95 0.02 -0.06 3.45 5.08 0.06 -2.61 114.58 121.48 3kqz h GLU 155 Ca 0.40 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 3kqz h GLU 155 Cb 0.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3kqz h GLU 155 CO -0.16 0.11 0.04 0.35 -1.00 0.00 0.00 179.01 178.34 3kqz h PHE 156 N -0.07 0.04 -0.58 4.33 3.57 -0.85 -2.04 116.94 121.35 3kqz h PHE 156 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kqz h PHE 156 Cb 0.09 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3kqz h PHE 156 CO -0.05 0.03 0.00 1.28 -2.23 0.00 0.00 178.31 177.34 3kqz n LEU 157 N -4.53 3.27 -4.56 0.59 4.77 -0.77 -4.66 117.00 111.12 3kqz n LEU 157 Ca -0.02 -1.60 -0.39 0.00 -0.03 0.00 0.00 56.01 53.97 3kqz n LEU 157 Cb 0.11 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3kqz n LEU 157 CO 0.34 0.80 0.39 0.29 -1.33 0.00 0.00 177.39 177.89 3kqz n LYS 158 N 1.30 0.89 -0.23 3.23 4.01 -0.77 -4.64 118.16 121.96 3kqz n LYS 158 Ca 0.20 0.34 0.03 0.00 -0.51 0.00 0.00 58.31 58.37 3kqz n LYS 158 Cb 0.53 -1.96 0.14 0.00 -0.51 0.00 0.00 35.03 33.23 3kqz n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3kqz h ASP 159 N 0.73 0.13 -0.66 4.39 3.45 -1.91 -0.89 116.42 121.66 3kqz h ASP 159 Ca -0.46 0.11 0.14 0.00 0.43 0.00 0.00 57.03 57.25 3kqz h ASP 159 Cb 1.37 0.12 -0.10 0.00 -0.56 0.00 0.00 39.33 40.16 3kqz h ASP 159 CO 0.51 0.06 0.10 -0.33 -1.57 0.00 0.00 179.24 178.02 3kqz h GLU 160 N 0.35 0.21 0.00 3.56 4.39 -1.96 -1.38 114.58 119.75 3kqz h GLU 160 Ca 0.36 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 3kqz h GLU 160 Cb 0.54 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3kqz h GLU 160 CO -0.40 0.14 -0.05 -0.97 -1.16 0.00 0.00 179.01 176.56 3kqz h ASN 161 N 0.22 0.00 0.30 1.42 -1.24 -1.46 -3.24 115.58 111.57 3kqz h ASN 161 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 3kqz h ASN 161 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3kqz h ASN 161 CO -0.49 0.05 -0.46 0.23 -1.29 0.00 0.00 177.43 175.47 3kqz n MET 162 N -3.13 0.43 0.18 6.67 2.81 -0.56 -4.52 117.12 119.00 3kqz n MET 162 Ca 0.02 -0.28 0.04 0.00 -1.81 0.00 0.00 57.70 55.68 3kqz n MET 162 Cb 0.46 -1.49 0.32 0.00 -0.71 0.00 0.00 33.22 31.79 3kqz n MET 162 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3kqz h GLU 163 N 0.68 0.00 0.00 0.03 4.11 -1.47 -1.88 114.58 116.05 3kqz h GLU 163 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kqz h GLU 163 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3kqz h GLU 163 CO 0.00 0.42 0.00 0.36 0.07 0.00 0.00 179.01 179.86 3kqz n LYS 164 N -3.67 0.16 -4.37 1.06 2.85 -1.26 -4.69 118.16 108.23 3kqz n LYS 164 Ca -0.01 0.51 -0.33 0.00 -1.05 0.00 0.00 58.31 57.43 3kqz n LYS 164 Cb 0.51 -1.88 -0.09 0.00 -0.65 0.00 0.00 35.03 32.91 3kqz n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kqz s PHE 165 N -3.39 3.07 0.48 5.58 2.99 -0.71 -5.08 117.98 120.92 3kqz s PHE 165 Ca 0.01 0.10 0.04 0.00 0.00 0.00 0.00 56.93 57.08 3kqz s PHE 165 Cb 0.08 -1.71 -0.02 0.00 0.00 0.00 0.00 43.02 41.37 3kqz s PHE 165 CO 0.29 0.44 0.12 0.54 -0.00 0.00 0.00 175.22 176.61 3kqz s ASN 166 N -1.24 4.25 -0.05 1.36 2.20 -1.26 -1.36 114.94 118.84 3kqz s ASN 166 Ca 0.16 -1.40 0.21 0.00 -0.94 0.00 0.00 52.86 50.89 3kqz s ASN 166 Cb -0.11 0.14 0.69 0.00 -2.00 0.00 0.00 41.25 39.97 3kqz s ASN 166 CO 0.06 -0.77 1.59 1.33 -2.94 0.00 0.00 177.10 176.37 3kqz n VAL 167 N -1.31 1.37 -1.58 3.54 0.24 -0.39 -4.73 118.33 115.47 3kqz n VAL 167 Ca -0.09 -1.08 -0.61 0.00 -2.04 0.00 0.00 64.34 60.51 3kqz n VAL 167 Cb 0.66 0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 3kqz n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqz n LYS 168 N 1.46 0.11 -1.68 7.34 4.81 -1.26 -0.90 118.16 128.05 3kqz n LYS 168 Ca 0.26 0.04 -0.58 0.00 -0.87 0.00 0.00 58.31 57.16 3kqz n LYS 168 Cb 0.75 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 34.17 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 2.33 2.23 0.00 3.14 0.00 -1.26 -0.19 117.00 123.25 3kqz n LEU 169 Ca 0.23 1.01 0.00 0.00 0.00 0.00 0.00 56.01 57.25 3kqz n LEU 169 Cb 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 43.42 42.35 3kqz n LEU 169 CO 0.69 -0.49 0.00 0.61 0.00 0.00 0.00 177.39 178.20 3kqz n GLY 170 N 4.52 0.68 3.79 -3.96 0.00 -0.04 -4.94 105.19 105.24 3kqz n GLY 170 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 3kqz n GLY 170 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kqz s THR 171 N -2.41 3.78 0.06 2.61 -1.32 0.73 -4.77 115.64 114.32 3kqz s THR 171 Ca 0.00 1.30 -0.09 0.00 -1.21 0.00 0.00 61.69 61.69 3kqz s THR 171 Cb 0.00 -3.64 -0.00 0.00 -1.51 0.00 0.00 72.50 67.35 3kqz s THR 171 CO 0.00 -0.06 0.18 -0.94 -2.21 0.00 0.00 174.62 171.59 3kqz s SER 172 N -1.68 0.09 0.08 8.08 1.04 -1.26 0.64 113.70 120.69 3kqz s SER 172 Ca 0.60 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.55 3kqz s SER 172 Cb -0.20 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 3kqz s SER 172 CO 0.25 -0.62 -0.07 -0.54 0.98 0.00 0.00 173.24 173.24 3kqz s LYS 173 N -3.07 0.72 -0.05 4.02 3.01 -0.94 -4.99 119.74 118.44 3kqz s LYS 173 Ca -0.01 -1.11 0.05 0.00 -1.01 0.00 0.00 55.97 53.89 3kqz s LYS 173 Cb 0.01 -0.25 -0.02 0.00 -1.01 0.00 0.00 37.83 36.56 3kqz s LYS 173 CO -0.07 0.01 -0.19 -1.01 0.51 0.00 0.00 175.35 174.60 3kqz s HIS 174 N -2.72 2.56 0.10 3.18 3.76 -1.26 -2.07 115.29 118.83 3kqz s HIS 174 Ca 0.03 -0.36 0.06 0.00 -0.15 0.00 0.00 55.06 54.64 3kqz s HIS 174 Cb -0.01 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 3kqz s HIS 174 CO -0.03 0.03 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.67 3kqz s PHE 175 N -0.53 1.44 -0.07 1.40 2.99 0.22 -4.97 117.98 118.46 3kqz s PHE 175 Ca 0.07 -0.47 0.03 0.00 0.00 0.00 0.00 56.93 56.56 3kqz s PHE 175 Cb -0.11 -0.79 0.01 0.00 0.00 0.00 0.00 43.02 42.13 3kqz s PHE 175 CO 0.01 0.13 -0.15 -0.47 -0.00 0.00 0.00 175.22 174.74 3kqz s TYR 176 N -1.51 1.68 0.27 0.36 5.04 -1.26 -1.50 117.35 120.44 3kqz s TYR 176 Ca 0.04 -0.62 -0.21 0.00 -2.44 0.00 0.00 57.07 53.85 3kqz s TYR 176 Cb -0.08 -1.19 0.02 0.00 0.35 0.00 0.00 41.96 41.06 3kqz s TYR 176 CO 0.03 -0.28 0.70 0.00 -1.34 0.00 0.00 175.55 174.66 3kqz s MET 177 N 0.51 1.75 -0.22 4.97 0.23 -0.33 -4.98 119.30 121.23 3kqz s MET 177 Ca -0.14 -0.98 -0.07 0.00 -1.03 0.00 0.00 55.69 53.48 3kqz s MET 177 Cb -0.15 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 3kqz s MET 177 CO 0.04 -0.80 0.06 -0.06 -2.03 0.00 0.00 175.02 172.23 3kqz s PHE 178 N -3.92 3.13 0.57 3.16 0.08 -1.26 0.12 117.98 119.86 3kqz s PHE 178 Ca 0.11 -0.24 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 3kqz s PHE 178 Cb -0.05 -2.16 0.14 0.00 -0.57 0.00 0.00 43.02 40.38 3kqz s PHE 178 CO 0.06 -0.15 0.60 0.27 -0.10 0.00 0.00 175.22 175.90 3kqz n ASN 179 N 4.32 -0.92 0.09 1.36 0.23 -0.42 -4.66 115.26 115.26 3kqz n ASN 179 Ca -0.16 -1.00 0.08 0.00 -0.53 0.00 0.00 54.58 52.97 3kqz n ASN 179 Cb 0.52 -0.51 0.54 0.00 -2.08 0.00 0.00 39.78 38.25 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 -1.48 0.24 -0.03 0.53 3.32 -1.90 0.20 116.42 117.30 3kqz h ASP 180 Ca -0.21 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3kqz h ASP 180 Cb 0.62 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3kqz h ASP 180 CO 0.14 0.17 0.00 0.59 -1.72 0.00 0.00 179.24 178.42 3kqz n ASN 181 N -4.49 0.98 -3.79 6.45 3.02 -1.26 -4.85 115.26 111.31 3kqz n ASN 181 Ca 0.02 -2.03 -0.29 0.00 -0.03 0.00 0.00 54.58 52.25 3kqz n ASN 181 Cb 0.16 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 3kqz n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqz n LYS 182 N -0.07 -3.19 -4.34 3.52 2.85 0.06 -4.96 118.16 112.02 3kqz n LYS 182 Ca 0.01 0.39 -0.34 0.00 -1.05 0.00 0.00 58.31 57.32 3kqz n LYS 182 Cb 0.23 -5.10 -0.09 0.00 -0.65 0.00 0.00 35.03 29.42 3kqz n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqz s ASN 183 N -2.98 5.20 0.27 -5.58 0.01 -1.26 -4.83 114.94 105.77 3kqz s ASN 183 Ca 0.57 0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 52.52 3kqz s ASN 183 Cb -0.31 -1.43 -0.09 0.00 0.41 0.00 0.00 41.25 39.83 3kqz s ASN 183 CO 0.70 0.34 1.19 -0.94 -1.51 0.00 0.00 177.10 176.89 3kqz s SER 184 N -1.13 7.07 -0.08 -1.22 1.04 -1.26 -1.30 113.70 116.81 3kqz s SER 184 Ca 0.16 2.38 -0.05 0.00 0.48 0.00 0.00 55.95 58.92 3kqz s SER 184 Cb -0.11 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.42 3kqz s SER 184 CO 0.05 -0.33 0.20 0.54 0.98 0.00 0.00 173.24 174.69 3kqz s VAL 185 N -0.80 -0.03 -0.18 5.02 0.11 0.32 -4.79 120.40 120.04 3kqz s VAL 185 Ca 0.48 0.11 -0.08 0.00 -2.93 0.00 0.00 61.98 59.57 3kqz s VAL 185 Cb -0.35 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3kqz s VAL 185 CO 0.43 0.05 0.08 0.00 -3.33 0.00 0.00 175.10 172.32 3kqz s ALA 186 N 0.88 3.47 0.15 1.54 0.00 -0.93 -1.19 121.76 125.68 3kqz s ALA 186 Ca -0.06 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.23 3kqz s ALA 186 Cb -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 3kqz s ALA 186 CO -0.05 0.19 -0.13 0.08 0.00 0.00 0.00 175.76 175.84 3kqz s VAL 187 N 0.32 1.44 0.12 0.00 1.01 -0.56 -1.57 120.40 121.16 3kqz s VAL 187 Ca 0.04 -1.96 -0.08 0.00 0.00 0.00 0.00 61.98 59.98 3kqz s VAL 187 Cb -0.12 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.51 3kqz s VAL 187 CO -0.00 -0.55 0.38 0.61 0.00 0.00 0.00 175.10 175.54 3kqz n GLY 188 N 0.07 1.28 3.32 4.51 0.00 0.15 0.68 105.19 115.21 3kqz n GLY 188 Ca -0.12 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 -5.24 -0.29 -0.09 1.61 1.13 -0.88 -1.24 117.35 112.34 3kqz s TYR 189 Ca 0.08 0.33 0.03 0.00 -1.41 0.00 0.00 57.07 56.11 3kqz s TYR 189 Cb -0.02 0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 41.04 3kqz s TYR 189 CO 0.04 -0.53 -0.20 0.08 -2.51 0.00 0.00 175.55 172.42 3kqz s VAL 190 N -2.07 2.44 0.14 -3.49 1.01 -0.20 -2.23 120.40 116.01 3kqz s VAL 190 Ca -0.08 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 3kqz s VAL 190 Cb -0.02 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 3kqz s VAL 190 CO 0.01 0.56 1.14 -0.83 0.00 0.00 0.00 175.10 175.97 3kqz s GLY 191 N 0.08 2.70 -0.14 4.51 0.00 0.21 -2.47 107.32 112.20 3kqz s GLY 191 Ca -0.09 0.84 0.15 0.00 0.00 0.00 0.00 44.72 45.63 3kqz s GLY 191 CO 0.06 1.80 1.40 0.00 0.00 0.00 0.00 173.10 176.36 3kqz n GLY 193 N -0.24 -1.28 0.00 0.00 0.00 -0.08 -4.58 105.19 99.02 3kqz n GLY 193 Ca 0.20 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.14 0.84 -4.53 1.61 3.41 -1.26 -1.81 113.62 112.01 3kqz n SER 194 Ca 0.00 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 3kqz n SER 194 Cb 0.00 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.04 5.01 0.36 -3.33 1.01 -1.26 -1.15 120.40 120.99 3kqz s VAL 195 Ca 0.00 0.14 0.35 0.00 0.00 0.00 0.00 61.98 62.47 3kqz s VAL 195 Cb 0.00 -4.01 0.35 0.00 0.00 0.00 0.00 36.38 32.71 3kqz s VAL 195 CO 0.00 -0.32 2.06 0.00 0.00 0.00 0.00 175.10 176.84 3kqz h ALA 196 N 8.59 1.04 -2.78 5.51 0.00 -1.91 -3.34 119.26 126.37 3kqz h ALA 196 Ca -0.27 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.91 3kqz h ALA 196 Cb 1.12 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 3kqz h ALA 196 CO 0.79 -0.04 -0.35 0.16 0.00 0.00 0.00 179.25 179.81 3kqz s ASP 197 N -4.65 5.70 0.02 0.00 3.84 -1.26 -4.61 116.67 115.71 3kqz s ASP 197 Ca -0.04 -2.15 -0.30 0.00 -0.00 0.00 0.00 52.55 50.06 3kqz s ASP 197 Cb 0.10 -1.99 -0.04 0.00 -1.38 0.00 0.00 42.92 39.61 3kqz s ASP 197 CO 0.32 -0.62 1.10 -0.76 -0.00 0.00 0.00 175.17 175.20 3kqz s LEU 198 N 1.00 4.36 0.61 2.11 1.43 -1.25 -5.05 118.68 121.89 3kqz s LEU 198 Ca 0.09 1.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.96 3kqz s LEU 198 Cb -0.23 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.43 3kqz s LEU 198 CO -0.02 -0.39 0.93 -0.94 0.23 0.00 0.00 176.35 176.15 3kqz s SER 199 N 1.08 5.44 0.16 2.29 1.04 -1.26 -4.79 113.70 117.66 3kqz s SER 199 Ca 0.55 0.67 -0.25 0.00 0.48 0.00 0.00 55.95 57.40 3kqz s SER 199 Cb -0.25 -1.60 -0.00 0.00 0.10 0.00 0.00 66.02 64.27 3kqz s SER 199 CO 0.28 -1.17 1.40 1.21 0.98 0.00 0.00 173.24 175.94 3kqz n GLU 200 N -2.65 -0.36 0.11 4.02 0.00 -1.26 -0.58 120.64 119.92 3kqz n GLU 200 Ca 0.05 1.38 0.01 0.00 0.00 0.00 0.00 57.16 58.60 3kqz n GLU 200 Cb 0.58 -2.03 0.33 0.00 0.00 0.00 0.00 31.44 30.32 3kqz n GLU 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kqz h ALA 201 N 0.63 1.36 -0.09 4.31 0.00 -1.94 -0.57 119.26 122.96 3kqz h ALA 201 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kqz h ALA 201 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kqz h ALA 201 CO -0.86 0.44 0.01 -0.44 0.00 0.00 0.00 179.25 178.40 3kqz h ASP 202 N 0.20 0.14 -0.56 0.00 3.32 -1.22 -2.07 116.42 116.23 3kqz h ASP 202 Ca 0.03 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3kqz h ASP 202 Cb 0.55 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3kqz h ASP 202 CO 0.04 0.36 0.24 -0.03 -1.72 0.00 0.00 179.24 178.13 3kqz h MET 203 N -0.09 0.87 -0.99 3.56 4.05 -0.40 -1.47 114.93 120.46 3kqz h MET 203 Ca 0.03 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3kqz h MET 203 Cb 0.28 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.88 3kqz h MET 203 CO 0.00 0.71 0.65 -0.22 0.23 0.00 0.00 176.91 178.28 3kqz h LYS 204 N 0.86 1.31 -0.59 0.39 1.63 -1.03 -0.63 116.57 118.50 3kqz h LYS 204 Ca 0.20 -0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.82 3kqz h LYS 204 Cb 0.17 -0.29 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3kqz h LYS 204 CO -0.02 0.87 -0.03 0.00 -3.45 0.00 0.00 179.45 176.82 3kqz h ARG 205 N 1.34 1.06 -0.49 1.90 3.08 -0.56 -1.17 114.38 119.55 3kqz h ARG 205 Ca 0.36 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3kqz h ARG 205 Cb -0.15 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.77 3kqz h ARG 205 CO -0.08 1.06 0.21 0.28 -1.07 0.00 0.00 179.97 180.37 3kqz h VAL 206 N 0.96 0.89 -0.27 2.04 2.07 -0.84 -0.65 116.25 120.47 3kqz h VAL 206 Ca 0.16 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 3kqz h VAL 206 Cb 0.60 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3kqz h VAL 206 CO 0.04 0.07 -0.40 0.58 0.02 0.00 0.00 177.57 177.88 3kqz h VAL 207 N 0.41 1.30 -0.53 2.57 2.07 -0.94 -1.25 116.25 119.87 3kqz h VAL 207 Ca 0.22 -1.59 0.09 0.00 0.82 0.00 0.00 66.70 66.24 3kqz h VAL 207 Cb 0.19 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 3kqz h VAL 207 CO -0.20 0.51 0.15 -0.07 0.02 0.00 0.00 177.57 177.98 3kqz h LEU 208 N 0.48 0.08 -0.75 2.57 4.07 -0.98 0.59 115.31 121.38 3kqz h LEU 208 Ca 0.03 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 3kqz h LEU 208 Cb 0.99 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 3kqz h LEU 208 CO 0.09 0.07 0.27 0.28 -1.08 0.00 0.00 178.44 178.07 3kqz h SER 209 N 0.30 1.05 -0.55 -0.43 0.02 -0.71 -1.90 113.55 111.34 3kqz h SER 209 Ca 0.27 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3kqz h SER 209 Cb 0.35 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3kqz h SER 209 CO -0.32 0.96 0.26 0.25 -1.14 0.00 0.00 176.83 176.84 3kqz h LEU 210 N 1.09 0.73 -1.21 5.07 5.85 -0.35 -2.41 115.31 124.09 3kqz h LEU 210 Ca 0.25 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3kqz h LEU 210 Cb 0.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3kqz h LEU 210 CO -0.02 0.66 0.12 0.58 -0.34 0.00 0.00 178.44 179.45 3kqz h VAL 211 N 0.75 1.20 0.00 1.05 2.07 0.52 -1.64 116.25 120.19 3kqz h VAL 211 Ca 0.19 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3kqz h VAL 211 Cb 0.13 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3kqz h VAL 211 CO -0.02 0.25 -0.05 0.71 0.02 0.00 0.00 177.57 178.48 3kqz h THR 212 N 0.66 0.42 0.00 2.57 1.35 -0.85 -0.19 112.91 116.87 3kqz h THR 212 Ca 0.15 -0.25 -0.11 0.00 -0.55 0.00 0.00 66.41 65.65 3kqz h THR 212 Cb 0.23 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 3kqz h THR 212 CO -0.01 0.05 -0.54 0.24 -0.25 0.00 0.00 175.52 175.01 3kqz h MET 213 N 0.00 0.00 0.00 4.72 2.07 -1.11 -3.27 114.93 117.34 3kqz h MET 213 Ca -0.00 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.51 3kqz h MET 213 Cb 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.87 3kqz h MET 213 CO 0.01 0.54 -1.19 -0.07 1.07 0.00 0.00 176.91 177.27 3kqz h LEU 214 N 0.00 0.00-10.01 1.22 3.38 -0.98 -3.43 115.31 105.49 3kqz h LEU 214 Ca -0.01 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.50 3kqz h LEU 214 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3kqz h LEU 214 CO 0.07 0.43 0.26 -1.00 0.09 0.00 0.00 178.44 178.29 3kqz s HIS 215 N -3.03 3.40 -0.98 1.13 3.76 -0.22 -3.75 115.29 115.59 3kqz s HIS 215 Ca -0.01 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 3kqz s HIS 215 Cb 0.09 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 31.02 3kqz s HIS 215 CO 0.80 0.01 0.00 -0.25 -0.85 0.00 0.00 174.74 174.45 3kqz n ASP 216 N -0.33 -3.74 -3.77 1.40 10.43 -1.26 -4.91 116.55 114.38 3kqz n ASP 216 Ca 0.05 0.06 -0.13 0.00 2.57 0.00 0.00 54.79 57.35 3kqz n ASP 216 Cb 0.53 -2.77 -0.08 0.00 1.84 0.00 0.00 41.12 40.64 3kqz n ASP 216 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kqz s ASN 217 N -2.61 -0.15 -0.30 -2.24 3.84 -1.25 -5.12 114.94 107.11 3kqz s ASN 217 Ca 0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 52.86 52.99 3kqz s ASN 217 Cb 0.00 0.32 0.03 0.00 -0.55 0.00 0.00 41.25 41.05 3kqz s ASN 217 CO 0.00 -0.51 0.04 -0.54 -2.79 0.00 0.00 177.10 173.31 3kqz s LYS 218 N -1.78 2.71 -0.00 0.43 3.01 -1.26 -4.78 119.74 118.06 3kqz s LYS 218 Ca -0.10 -1.10 0.00 0.00 -1.01 0.00 0.00 55.97 53.76 3kqz s LYS 218 Cb -0.04 -3.28 0.00 0.00 -1.01 0.00 0.00 37.83 33.50 3kqz s LYS 218 CO 0.01 -0.56 -0.01 -0.51 0.51 0.00 0.00 175.35 174.80 3kqz s LEU 219 N 1.37 1.91 -0.03 3.17 1.43 -1.26 -5.04 118.68 120.24 3kqz s LEU 219 Ca -0.01 -0.01 0.16 0.00 -1.03 0.00 0.00 54.13 53.23 3kqz s LEU 219 Cb -0.19 -0.06 -0.20 0.00 0.03 0.00 0.00 46.19 45.78 3kqz s LEU 219 CO 0.00 -0.00 0.60 -1.54 0.23 0.00 0.00 176.35 175.65 3kqz n SER 220 N 3.17 0.63 -3.83 2.29 3.41 -1.26 -3.42 113.62 114.61 3kqz n SER 220 Ca -0.14 0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.61 3kqz n SER 220 Cb 0.59 0.39 -0.16 0.00 -0.26 0.00 0.00 64.21 64.77 3kqz n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kqz s LYS 221 N -2.79 0.19 -0.13 4.33 2.20 -1.26 0.44 119.74 122.73 3kqz s LYS 221 Ca -0.05 0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.60 3kqz s LYS 221 Cb 0.08 -0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 3kqz s LYS 221 CO 0.83 -0.09 -0.10 -1.17 -0.36 0.00 0.00 175.35 174.46 3kqz s LEU 222 N 0.71 2.93 -0.04 5.43 2.96 -0.82 -1.13 118.68 128.72 3kqz s LEU 222 Ca -0.07 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3kqz s LEU 222 Cb -0.10 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3kqz s LEU 222 CO -0.01 0.20 -0.19 0.28 -1.32 0.00 0.00 176.35 175.30 3kqz s THR 223 N 0.17 2.62 -0.13 3.68 -1.32 0.16 -0.87 115.64 119.95 3kqz s THR 223 Ca -0.05 -0.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 3kqz s THR 223 Cb -0.15 -1.99 -0.01 0.00 -1.51 0.00 0.00 72.50 68.85 3kqz s THR 223 CO 0.04 0.58 -0.14 -0.69 -2.21 0.00 0.00 174.62 172.21 3kqz s VAL 224 N -0.60 2.98 -0.30 5.08 1.01 0.46 0.06 120.40 129.09 3kqz s VAL 224 Ca 0.09 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3kqz s VAL 224 Cb -0.11 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3kqz s VAL 224 CO 0.00 0.52 0.08 -0.69 0.00 0.00 0.00 175.10 175.02 3kqz s VAL 225 N 0.39 3.91 -0.43 2.92 1.01 0.24 -1.40 120.40 127.03 3kqz s VAL 225 Ca -0.11 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 3kqz s VAL 225 Cb -0.16 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.18 3kqz s VAL 225 CO 0.06 0.03 1.30 -0.36 0.00 0.00 0.00 175.10 176.13 3kqz s PHE 226 N 1.48 2.57 -0.33 5.22 0.40 -0.53 0.20 117.98 126.99 3kqz s PHE 226 Ca 0.02 0.70 0.07 0.00 -0.60 0.00 0.00 56.93 57.12 3kqz s PHE 226 Cb -0.18 -4.33 0.49 0.00 0.51 0.00 0.00 43.02 39.51 3kqz s PHE 226 CO 0.02 -1.70 1.45 0.39 0.70 0.00 0.00 175.22 176.08 3kqz n GLU 227 N 7.95 2.33 -4.35 0.44 1.02 0.12 -4.72 120.64 123.43 3kqz n GLU 227 Ca 0.15 -3.45 -0.18 0.00 -0.02 0.00 0.00 57.16 53.66 3kqz n GLU 227 Cb 0.48 -1.97 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 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 -3.75 1.21 -0.22 -3.67 -4.36 -1.24 -4.38 121.20 104.80 3kqz s ILE 228 Ca 0.48 -2.06 -0.18 0.00 -0.26 0.00 0.00 60.65 58.64 3kqz s ILE 228 Cb 0.42 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 3kqz s ILE 228 CO 0.00 -0.34 0.48 0.21 0.24 0.00 0.00 174.94 175.54 3kqz s ASN 229 N -3.34 6.49 -0.02 4.36 3.84 -1.26 -4.98 114.94 120.02 3kqz s ASN 229 Ca 0.28 0.58 0.02 0.00 0.21 0.00 0.00 52.86 53.95 3kqz s ASN 229 Cb 0.05 -2.27 0.01 0.00 -0.55 0.00 0.00 41.25 38.48 3kqz s ASN 229 CO 0.09 -0.18 -0.07 0.68 -2.79 0.00 0.00 177.10 174.83 3kqz s VAL 230 N 1.76 0.64 1.06 -5.21 -7.23 -1.26 -4.79 120.40 105.36 3kqz s VAL 230 Ca 0.22 -0.27 -0.17 0.00 -1.81 0.00 0.00 61.98 59.95 3kqz s VAL 230 Cb -0.15 -0.59 0.23 0.00 0.56 0.00 0.00 36.38 36.43 3kqz s VAL 230 CO 0.09 0.21 1.18 1.51 -0.31 0.00 0.00 175.10 177.78 3kqz s ASP 231 N 0.29 2.19 0.22 4.85 3.84 -1.26 -4.79 116.67 122.00 3kqz s ASP 231 Ca -0.04 0.61 -0.07 0.00 -0.00 0.00 0.00 52.55 53.04 3kqz s ASP 231 Cb -0.09 -0.87 0.17 0.00 -1.38 0.00 0.00 42.92 40.76 3kqz s ASP 231 CO 0.00 -3.34 1.79 0.11 -0.00 0.00 0.00 175.17 173.74 3kqz h LYS 232 N -2.05 1.20 -0.43 2.11 1.57 -1.99 -1.80 116.57 115.19 3kqz h LYS 232 Ca -0.46 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.06 3kqz h LYS 232 Cb 1.28 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3kqz h LYS 232 CO 0.42 0.96 0.06 -0.91 -0.57 0.00 0.00 179.45 179.41 3kqz h ASN 233 N 1.17 0.61 0.31 0.86 2.35 -1.93 -1.48 115.58 117.47 3kqz h ASN 233 Ca 0.27 -0.11 -0.24 0.00 -0.55 0.00 0.00 56.30 55.67 3kqz h ASN 233 Cb 0.19 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.41 3kqz h ASN 233 CO -0.03 0.64 -1.00 0.25 -1.65 0.00 0.00 177.43 175.64 3kqz h LEU 234 N 0.63 0.59 -0.17 1.61 5.85 -1.75 0.15 115.31 122.22 3kqz h LEU 234 Ca 0.14 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 3kqz h LEU 234 Cb 0.30 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3kqz h LEU 234 CO 0.00 1.30 0.09 0.15 -0.34 0.00 0.00 178.44 179.65 3kqz h PHE 235 N 0.24 0.24 -0.14 1.25 3.57 -1.23 0.27 116.94 121.14 3kqz h PHE 235 Ca -0.10 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.42 3kqz h PHE 235 Cb 1.65 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 3kqz h PHE 235 CO 0.07 0.25 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.30 3kqz h ARG 236 N 0.17 0.03 -0.91 1.11 2.43 -1.16 -2.25 114.38 113.80 3kqz h ARG 236 Ca 0.06 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 3kqz h ARG 236 Cb 0.09 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 3kqz h ARG 236 CO -0.01 0.02 0.57 0.35 -1.51 0.00 0.00 179.97 179.39 3kqz h PHE 237 N 0.03 1.05 -0.18 2.20 3.57 -0.26 0.15 116.94 123.50 3kqz h PHE 237 Ca 0.07 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.65 3kqz h PHE 237 Cb 0.09 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.43 3kqz h PHE 237 CO -0.16 0.51 -0.18 0.35 -2.23 0.00 0.00 178.31 176.60 3kqz h PHE 238 N 1.01 -0.48 0.32 0.41 3.57 -0.24 0.58 116.94 122.12 3kqz h PHE 238 Ca 0.41 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 3kqz h PHE 238 Cb 0.22 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3kqz h PHE 238 CO -0.02 -0.26 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.58 3kqz h LEU 239 N -0.21 -0.36 -0.64 0.59 4.07 -0.64 0.14 115.31 118.27 3kqz h LEU 239 Ca 0.12 -0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.19 3kqz h LEU 239 Cb 0.38 0.09 -0.10 0.00 1.08 0.00 0.00 40.66 42.11 3kqz h LEU 239 CO -0.30 -0.22 0.09 -0.33 -1.08 0.00 0.00 178.44 176.60 3kqz h GLU 240 N -0.47 0.20 -0.07 1.13 5.08 -0.67 0.33 114.58 120.11 3kqz h GLU 240 Ca -0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3kqz h GLU 240 Cb 0.36 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3kqz h GLU 240 CO 0.07 0.13 -0.09 1.15 -1.00 0.00 0.00 179.01 179.28 3kqz h THR 241 N 0.20 1.38 -0.41 1.13 2.02 -0.75 -0.65 112.91 115.84 3kqz h THR 241 Ca 0.34 -1.27 0.09 0.00 0.77 0.00 0.00 66.41 66.33 3kqz h THR 241 Cb 0.55 2.06 -0.09 0.00 -1.74 0.00 0.00 68.15 68.93 3kqz h THR 241 CO -0.48 0.35 -0.22 0.25 0.37 0.00 0.00 175.52 175.80 3kqz h LEU 242 N -0.25 -0.73 0.42 2.58 5.85 -0.49 0.23 115.31 122.92 3kqz h LEU 242 Ca 0.01 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kqz h LEU 242 Cb 0.61 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3kqz h LEU 242 CO 0.02 -0.24 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.35 3kqz h PHE 243 N -0.14 -0.69 -0.34 1.25 0.04 -0.75 0.15 116.94 116.46 3kqz h PHE 243 Ca 0.20 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.03 3kqz h PHE 243 Cb 0.45 0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.78 3kqz h PHE 243 CO -0.45 -0.40 -0.09 -0.92 -0.60 0.00 0.00 178.31 175.84 3kqz h TYR 244 N -0.65 -0.21 0.00 -0.55 3.20 -0.96 -1.52 116.97 116.29 3kqz h TYR 244 Ca -0.05 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3kqz h TYR 244 Cb 0.54 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3kqz h TYR 244 CO -0.10 -0.16 -0.40 0.93 -1.64 0.00 0.00 178.16 176.80 3kqz h GLU 245 N -0.01 0.00 -0.11 1.82 4.39 -0.30 -3.05 114.58 117.31 3kqz h GLU 245 Ca 0.16 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.65 3kqz h GLU 245 Cb 0.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3kqz h GLU 245 CO -0.35 0.40 -0.80 -0.92 -1.16 0.00 0.00 179.01 176.17 3kqz h TYR 246 N 0.00 0.90 -3.44 4.33 3.20 -0.32 -3.45 116.97 118.20 3kqz h TYR 246 Ca -0.00 -0.41 -0.52 0.00 3.14 0.00 0.00 58.73 60.93 3kqz h TYR 246 Cb 0.92 -0.13 0.05 0.00 1.54 0.00 0.00 36.73 39.11 3kqz h TYR 246 CO 0.00 1.23 0.69 1.41 -1.64 0.00 0.00 178.16 179.85 3kqz s MET 247 N -3.65 4.34 -0.13 1.82 1.75 -0.61 -5.00 119.30 117.83 3kqz s MET 247 Ca -0.09 2.17 0.01 0.00 -1.25 0.00 0.00 55.69 56.53 3kqz s MET 247 Cb 0.09 -3.15 -0.01 0.00 2.84 0.00 0.00 34.83 34.61 3kqz s MET 247 CO 0.89 -0.31 -0.17 0.99 -0.65 0.00 0.00 175.02 175.77 3kqz s THR 248 N -0.08 2.66 -0.50 10.11 2.01 -1.26 -4.96 115.64 123.61 3kqz s THR 248 Ca 0.57 -0.79 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 3kqz s THR 248 Cb -0.39 -2.10 0.04 0.00 0.01 0.00 0.00 72.50 70.07 3kqz s THR 248 CO 0.42 0.53 0.78 -0.62 -0.69 0.00 0.00 174.62 175.04 3kqz s ASP 249 N 0.52 6.32 -0.13 3.53 -1.08 -1.26 -4.87 116.67 119.70 3kqz s ASP 249 Ca -0.11 -0.47 0.18 0.00 -0.52 0.00 0.00 52.55 51.64 3kqz s ASP 249 Cb -0.16 -2.37 0.29 0.00 -1.46 0.00 0.00 42.92 39.22 3kqz s ASP 249 CO 0.04 -1.01 1.15 -0.62 0.52 0.00 0.00 175.17 175.25 3kqz n GLU 250 N 6.79 1.39 0.27 4.34 1.02 -1.26 -4.71 120.64 128.48 3kqz n GLU 250 Ca -0.01 -2.55 0.10 0.00 -0.02 0.00 0.00 57.16 54.68 3kqz n GLU 250 Cb 0.47 -1.49 0.71 0.00 -0.02 0.00 0.00 31.44 31.11 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kqz h ARG 251 N 0.05 0.00 -0.05 3.49 3.08 -1.97 -2.77 114.38 116.21 3kqz h ARG 251 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqz h ARG 251 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3kqz h ARG 251 CO 0.01 0.01 0.00 1.19 -1.07 0.00 0.00 179.97 180.11 3kqz n PHE 252 N -4.32 0.04 -2.46 3.04 3.01 -1.26 -4.92 117.46 110.58 3kqz n PHE 252 Ca -0.03 -0.03 -0.38 0.00 1.01 0.00 0.00 57.45 58.03 3kqz n PHE 252 Cb 0.10 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.34 4.23 0.00 -1.08 -0.14 -1.05 -4.96 119.74 115.41 3kqz s LYS 253 Ca 0.20 1.66 0.00 0.00 -1.36 0.00 0.00 55.97 56.47 3kqz s LYS 253 Cb 0.14 -2.71 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 3kqz s LYS 253 CO 0.20 -0.12 0.00 0.45 -0.76 0.00 0.00 175.35 175.13 3kqz n SER 254 N 0.23 0.00 0.00 2.83 2.88 -1.26 -4.76 113.62 113.55 3kqz n SER 254 Ca 0.04 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.72 3kqz n SER 254 Cb 0.48 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.77 3kqz n SER 254 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kqz n THR 255 N -1.48 0.02 -2.39 2.46 -2.24 -1.26 -3.92 114.28 105.48 3kqz n THR 255 Ca 0.00 0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 3kqz n THR 255 Cb 0.00 -0.55 0.04 0.00 -2.10 0.00 0.00 70.33 67.73 3kqz n THR 255 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqz n ASP 256 N -1.08 1.06 -4.64 3.42 2.03 -1.26 -5.06 116.55 111.01 3kqz n ASP 256 Ca 0.20 -2.21 -0.39 0.00 0.52 0.00 0.00 54.79 52.90 3kqz n ASP 256 Cb 0.13 -0.32 0.03 0.00 -0.72 0.00 0.00 41.12 40.24 3kqz n ASP 256 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kqz n LYS 257 N 0.31 1.31 -2.52 -0.67 5.02 -1.25 -4.91 118.16 115.44 3kqz n LYS 257 Ca 0.07 0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 56.41 3kqz n LYS 257 Cb 1.09 -2.22 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 3kqz n LYS 257 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kqz s ASN 258 N -0.93 6.70 0.50 4.39 3.84 -1.26 -4.88 114.94 123.29 3kqz s ASN 258 Ca 0.69 0.93 0.16 0.00 0.21 0.00 0.00 52.86 54.84 3kqz s ASN 258 Cb -0.47 -2.54 1.19 0.00 -0.55 0.00 0.00 41.25 38.87 3kqz s ASN 258 CO 0.52 -1.11 2.10 1.62 -2.79 0.00 0.00 177.10 177.44 3kqz h VAL 259 N 6.02 1.04 -0.55 -5.21 3.04 -2.01 -3.20 116.25 115.37 3kqz h VAL 259 Ca -0.24 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3kqz h VAL 259 Cb 1.08 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 3kqz h VAL 259 CO 1.06 0.06 0.00 0.59 -1.01 0.00 0.00 177.57 178.28 3kqz n ASN 260 N -4.45 4.95 -4.46 3.17 3.02 -1.26 -4.84 115.26 111.38 3kqz n ASN 260 Ca -0.03 -2.70 -0.43 0.00 -0.03 0.00 0.00 54.58 51.39 3kqz n ASN 260 Cb 0.14 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.67 3kqz n ASN 260 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3kqz s MET 261 N -2.31 3.17 0.13 3.52 -1.94 -1.21 -4.64 119.30 116.02 3kqz s MET 261 Ca 0.50 -0.74 0.08 0.00 -1.71 0.00 0.00 55.69 53.82 3kqz s MET 261 Cb 0.36 -4.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.01 3kqz s MET 261 CO 0.19 -1.51 -0.14 -1.21 -0.01 0.00 0.00 175.02 172.34 3kqz s GLU 262 N 3.44 1.96 -0.05 2.03 2.02 -1.26 -5.07 118.70 121.76 3kqz s GLU 262 Ca 0.21 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 54.08 3kqz s GLU 262 Cb -0.17 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 3kqz s GLU 262 CO 0.13 0.48 -0.12 0.71 0.02 0.00 0.00 175.26 176.48 3kqz s TYR 263 N -1.29 2.78 0.65 1.61 2.02 -1.26 -4.89 117.35 116.98 3kqz s TYR 263 Ca 0.21 -0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.64 3kqz s TYR 263 Cb -0.10 -1.65 -0.08 0.00 -0.40 0.00 0.00 41.96 39.73 3kqz s TYR 263 CO 0.12 0.25 0.32 0.44 -1.57 0.00 0.00 175.55 175.11 3kqz n ILE 264 N 2.19 1.48 0.12 2.71 -5.35 -1.22 -4.86 119.36 114.43 3kqz n ILE 264 Ca -0.17 -0.46 0.08 0.00 -0.27 0.00 0.00 62.75 61.93 3kqz n ILE 264 Cb 0.52 -0.53 -0.11 0.00 -1.74 0.00 0.00 39.64 37.78 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 0.11 0.75 -4.22 6.28 4.76 0.17 -4.66 118.16 121.35 3kqz n LYS 265 Ca 0.09 -0.12 -0.17 0.00 -2.87 0.00 0.00 58.31 55.24 3kqz n LYS 265 Cb 0.49 -1.34 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.95 1.00 -0.07 2.13 3.76 -0.78 -0.79 115.29 117.60 3kqz s HIS 266 Ca -0.04 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.48 3kqz s HIS 266 Cb 0.10 -0.59 0.03 0.00 1.11 0.00 0.00 32.58 33.23 3kqz s HIS 266 CO 0.63 0.01 0.00 -1.17 -0.85 0.00 0.00 174.74 173.36 3kqz s LEU 267 N -1.27 0.60 -0.05 0.89 2.96 0.97 -1.93 118.68 120.84 3kqz s LEU 267 Ca -0.02 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3kqz s LEU 267 Cb -0.08 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 3kqz s LEU 267 CO 0.01 -0.19 0.05 -0.83 -1.32 0.00 0.00 176.35 174.07 3kqz s GLY 268 N 1.96 1.96 -0.06 7.98 0.00 -0.05 -1.33 107.32 117.78 3kqz s GLY 268 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3kqz s GLY 268 CO -0.05 -0.63 -0.10 0.14 0.00 0.00 0.00 173.10 172.46 3kqz s VAL 269 N -1.04 0.96 -0.20 1.40 1.01 -0.26 -0.41 120.40 121.86 3kqz s VAL 269 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3kqz s VAL 269 Cb -0.12 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 3kqz s VAL 269 CO 0.07 0.32 -0.08 -0.31 0.00 0.00 0.00 175.10 175.10 3kqz s TYR 270 N 0.70 2.92 0.06 5.22 1.51 -0.49 0.09 117.35 127.35 3kqz s TYR 270 Ca -0.13 -1.00 -0.10 0.00 -1.01 0.00 0.00 57.07 54.83 3kqz s TYR 270 Cb -0.15 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3kqz s TYR 270 CO 0.03 -0.54 0.21 -1.50 -1.11 0.00 0.00 175.55 172.63 3kqz s ILE 271 N 1.31 0.12 0.26 2.71 2.07 -0.68 -1.45 121.20 125.53 3kqz s ILE 271 Ca 0.04 -0.97 -0.30 0.00 -1.41 0.00 0.00 60.65 58.01 3kqz s ILE 271 Cb -0.14 -1.07 -0.10 0.00 0.13 0.00 0.00 42.46 41.27 3kqz s ILE 271 CO -0.04 -0.54 1.42 0.20 -1.91 0.00 0.00 174.94 174.08 3kqz s ASN 272 N -2.38 6.67 -1.22 4.50 -0.87 -1.26 -1.17 114.94 119.21 3kqz s ASN 272 Ca -0.01 2.67 -0.04 0.00 -1.57 0.00 0.00 52.86 53.91 3kqz s ASN 272 Cb 0.01 -2.63 -0.01 0.00 -0.02 0.00 0.00 41.25 38.60 3kqz s ASN 272 CO -0.07 -0.68 0.81 0.59 -2.57 0.00 0.00 177.10 175.18 3kqz n ASN 273 N 2.12 -2.74 -0.08 -1.22 3.02 -1.26 -4.92 115.26 110.18 3kqz n ASN 273 Ca 0.06 -0.79 -0.07 0.00 -0.03 0.00 0.00 54.58 53.75 3kqz n ASN 273 Cb 0.40 -4.38 -0.01 0.00 -0.61 0.00 0.00 39.78 35.18 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqz h ALA 274 N 0.71 -0.10 -1.00 5.41 0.00 -1.83 -2.28 119.26 120.17 3kqz h ALA 274 Ca -0.61 0.10 0.38 0.00 0.00 0.00 0.00 54.91 54.77 3kqz h ALA 274 Cb 1.35 0.57 -0.17 0.00 0.00 0.00 0.00 17.79 19.53 3kqz h ALA 274 CO 0.52 -0.67 0.51 -0.44 0.00 0.00 0.00 179.25 179.17 3kqz h ASP 275 N -0.23 0.32 0.44 0.00 3.32 -1.91 0.40 116.42 118.76 3kqz h ASP 275 Ca 0.16 0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 3kqz h ASP 275 Cb 0.48 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3kqz h ASP 275 CO -0.45 -0.34 -0.27 0.00 -1.72 0.00 0.00 179.24 176.45 3kqz h THR 276 N 0.10 0.96 0.00 0.35 1.03 -1.78 -3.10 112.91 110.47 3kqz h THR 276 Ca 0.80 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 3kqz h THR 276 Cb 2.00 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 70.67 3kqz h THR 276 CO -0.73 0.26 -0.82 -1.22 -0.01 0.00 0.00 175.52 173.01 3kqz n TYR 277 N -3.87 0.40 -0.02 0.00 4.01 0.14 -4.32 117.16 113.49 3kqz n TYR 277 Ca -0.02 0.12 0.07 0.00 -0.16 0.00 0.00 57.90 57.91 3kqz n TYR 277 Cb 0.35 -0.54 0.46 0.00 -0.31 0.00 0.00 39.34 39.31 3kqz n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kqz h LYS 278 N 0.00 0.46 -0.88 -0.72 1.57 -1.29 -1.57 116.57 114.13 3kqz h LYS 278 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqz h LYS 278 Cb 0.73 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 3kqz h LYS 278 CO 0.00 0.31 0.55 0.93 -0.57 0.00 0.00 179.45 180.67 3kqz h GLU 279 N 0.48 1.18 0.00 3.15 4.39 -1.76 -2.93 114.58 119.08 3kqz h GLU 279 Ca 0.19 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3kqz h GLU 279 Cb 0.15 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3kqz h GLU 279 CO -0.05 0.81 -0.06 0.93 -1.16 0.00 0.00 179.01 179.48 3kqz h GLU 280 N 1.21 0.00 0.77 2.33 4.39 -1.57 -3.29 114.58 118.43 3kqz h GLU 280 Ca 0.32 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 3kqz h GLU 280 Cb -0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3kqz h GLU 280 CO -0.06 0.06 -0.48 0.28 -1.16 0.00 0.00 179.01 177.65 3kqz h VAL 281 N 0.00 0.03 0.00 3.13 2.07 -1.61 0.33 116.25 120.21 3kqz h VAL 281 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3kqz h VAL 281 Cb 0.31 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3kqz h VAL 281 CO 0.01 0.00 -0.47 -0.33 0.02 0.00 0.00 177.57 176.80 3kqz h GLU 282 N -1.18 0.00 -0.02 1.57 4.39 -1.79 0.32 114.58 117.86 3kqz h GLU 282 Ca -0.10 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.61 3kqz h GLU 282 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 3kqz h GLU 282 CO 0.10 0.47 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.17 3kqz h LYS 283 N 0.00 -0.04 -0.92 2.33 3.64 -1.63 -1.10 116.57 118.86 3kqz h LYS 283 Ca -0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3kqz h LYS 283 Cb 0.91 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.67 3kqz h LYS 283 CO 0.06 -0.02 0.56 0.00 -2.27 0.00 0.00 179.45 177.78 3kqz h ALA 284 N 0.98 1.35 -0.40 5.00 0.00 0.28 0.29 119.26 126.77 3kqz h ALA 284 Ca 0.02 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kqz h ALA 284 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kqz h ALA 284 CO -0.05 0.19 -0.18 -0.09 0.00 0.00 0.00 179.25 179.12 3kqz h ARG 285 N 0.92 0.75 -0.04 0.00 9.65 -0.69 0.56 114.38 125.53 3kqz h ARG 285 Ca 0.45 -0.28 -0.14 0.00 -1.10 0.00 0.00 59.98 58.91 3kqz h ARG 285 Cb 0.40 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3kqz h ARG 285 CO -0.25 0.88 -0.51 0.28 2.80 0.00 0.00 179.97 183.17 3kqz h VAL 286 N 0.67 1.42 -0.74 0.20 2.07 -0.25 -2.29 116.25 117.33 3kqz h VAL 286 Ca 0.10 -1.95 0.06 0.00 0.82 0.00 0.00 66.70 65.74 3kqz h VAL 286 Cb 0.67 2.46 -0.06 0.00 -1.52 0.00 0.00 31.29 32.84 3kqz h VAL 286 CO 0.05 0.57 0.43 1.88 0.02 0.00 0.00 177.57 180.52 3kqz h TYR 287 N -0.08 0.80 -0.59 1.57 -1.99 -0.32 -0.34 116.97 116.02 3kqz h TYR 287 Ca -0.05 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 3kqz h TYR 287 Cb 1.20 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.65 3kqz h TYR 287 CO 0.14 0.39 0.26 -0.92 -0.00 0.00 0.00 178.16 178.02 3kqz h TYR 288 N 0.79 0.88 -0.37 4.88 3.20 0.16 -1.81 116.97 124.70 3kqz h TYR 288 Ca 0.33 -0.06 -0.15 0.00 3.14 0.00 0.00 58.73 62.00 3kqz h TYR 288 Cb 0.20 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3kqz h TYR 288 CO -0.06 0.69 -0.35 0.35 -1.64 0.00 0.00 178.16 177.15 3kqz h PHE 289 N 0.82 1.02 -0.82 -3.82 3.57 -0.85 0.20 116.94 117.05 3kqz h PHE 289 Ca 0.20 -0.29 0.05 0.00 3.53 0.00 0.00 57.97 61.46 3kqz h PHE 289 Cb 0.17 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 3kqz h PHE 289 CO 0.01 1.09 0.51 0.78 -2.23 0.00 0.00 178.31 178.47 3kqz h GLY 290 N 0.86 1.22 1.63 2.40 0.00 -0.85 0.59 103.07 108.93 3kqz h GLY 290 Ca 0.07 -0.38 -0.23 0.00 0.00 0.00 0.00 47.33 46.79 3kqz h GLY 290 CO 0.09 0.28 -0.98 0.00 0.00 0.00 0.00 176.54 175.93 3kqz h THR 291 N 0.96 1.45 -0.44 4.70 1.03 -0.85 -1.72 112.91 118.04 3kqz h THR 291 Ca 0.35 -2.62 -0.10 0.00 -0.01 0.00 0.00 66.41 64.03 3kqz h THR 291 Cb 0.12 2.53 -0.02 0.00 -1.07 0.00 0.00 68.15 69.71 3kqz h THR 291 CO -0.15 0.77 -0.13 0.22 -0.01 0.00 0.00 175.52 176.22 3kqz h TYR 292 N 0.16 0.89 -0.03 0.00 3.20 -0.21 0.16 116.97 121.14 3kqz h TYR 292 Ca -0.08 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 3kqz h TYR 292 Cb 1.63 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.67 3kqz h TYR 292 CO 0.05 0.89 0.01 -0.92 -1.64 0.00 0.00 178.16 176.55 3kqz h TYR 293 N 0.73 0.05 -0.34 -3.82 3.20 0.32 0.18 116.97 117.29 3kqz h TYR 293 Ca 0.12 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.05 3kqz h TYR 293 Cb 0.62 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 3kqz h TYR 293 CO 0.03 0.19 -0.10 0.00 -1.64 0.00 0.00 178.16 176.65 3kqz h ALA 294 N 0.85 0.20 -0.82 1.82 0.00 -1.06 -1.99 119.26 118.26 3kqz h ALA 294 Ca 0.01 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3kqz h ALA 294 Cb 0.16 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 3kqz h ALA 294 CO -0.00 -0.47 0.47 1.03 0.00 0.00 0.00 179.25 180.27 3kqz h SER 295 N -0.02 0.67 -0.52 0.00 0.87 -0.16 -1.23 113.55 113.17 3kqz h SER 295 Ca 0.17 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 3kqz h SER 295 Cb 0.27 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3kqz h SER 295 CO -0.36 0.39 0.13 1.56 -0.53 0.00 0.00 176.83 178.02 3kqz h GLN 296 N 0.79 0.88 -0.24 2.24 4.20 0.07 -0.22 115.11 122.83 3kqz h GLN 296 Ca 0.39 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 3kqz h GLN 296 Cb 0.35 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3kqz h GLN 296 CO -0.24 0.80 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.51 3kqz h LEU 297 N 0.85 0.53 -0.26 1.46 3.38 -0.89 -2.13 115.31 118.24 3kqz h LEU 297 Ca 0.18 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kqz h LEU 297 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kqz h LEU 297 CO -0.00 0.83 0.12 0.40 0.09 0.00 0.00 178.44 179.88 3kqz h ILE 298 N 0.22 1.15 0.00 1.22 2.04 -1.12 -3.13 117.51 117.90 3kqz h ILE 298 Ca 0.05 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 3kqz h ILE 298 Cb 0.64 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3kqz h ILE 298 CO 0.04 0.16 -0.34 0.00 0.00 0.00 0.00 178.15 178.01 3kqz h ALA 299 N 0.97 1.10 -2.28 1.87 0.00 -1.10 -3.40 119.26 116.42 3kqz h ALA 299 Ca 0.09 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.12 3kqz h ALA 299 Cb 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kqz h ALA 299 CO -0.01 0.42 1.06 0.00 0.00 0.00 0.00 179.25 180.72 3kqz n ALA 300 N -2.32 1.52 -0.95 0.00 0.00 -0.80 -4.94 120.51 113.01 3kqz n ALA 300 Ca -0.01 0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 3kqz n ALA 300 Cb 0.45 -2.53 0.17 0.00 0.00 0.00 0.00 19.45 17.55 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 3.04 0.62 0.53 0.00 0.02 -1.26 -4.51 135.00 133.44 3kqz s PRO 301 Ca 0.86 0.93 0.25 0.00 0.02 0.00 0.00 61.00 63.05 3kqz s PRO 301 Cb -0.58 -1.73 1.45 0.00 0.02 0.00 0.00 34.50 33.66 3kqz s PRO 301 CO 0.43 -2.71 2.11 0.77 -0.33 0.00 0.00 177.00 177.27 3kqz h SER 302 N -1.90 0.00 1.01 2.53 0.02 -1.80 0.20 113.55 113.61 3kqz h SER 302 Ca -0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3kqz h SER 302 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3kqz h SER 302 CO 0.51 0.09 0.00 -0.46 -1.14 0.00 0.00 176.83 175.84 3kqz n ASN 303 N -3.88 0.44 -0.13 3.07 6.94 -1.26 -3.78 115.26 116.66 3kqz n ASN 303 Ca -0.02 0.57 -0.25 0.00 -0.02 0.00 0.00 54.58 54.85 3kqz n ASN 303 Cb 0.19 -0.68 -0.11 0.00 -2.36 0.00 0.00 39.78 36.82 3kqz n ASN 303 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3kqz n TYR 304 N -1.94 0.09 -3.39 -2.53 4.01 -0.07 -4.19 117.16 109.13 3kqz n TYR 304 Ca 0.05 0.03 -0.44 0.00 -0.16 0.00 0.00 57.90 57.37 3kqz n TYR 304 Cb 0.31 -1.01 -0.06 0.00 -0.31 0.00 0.00 39.34 38.27 3kqz n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz n ASN 306 N 5.14 1.78 0.22 0.00 0.23 -1.25 -4.19 115.26 117.18 3kqz n ASN 306 Ca -0.12 -2.62 0.06 0.00 -0.53 0.00 0.00 54.58 51.37 3kqz n ASN 306 Cb 0.41 0.60 0.49 0.00 -2.08 0.00 0.00 39.78 39.20 3kqz n ASN 306 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3kqz h PRO 307 N 0.00 0.00 0.02 -0.53 0.11 -1.87 -0.64 132.00 129.09 3kqz h PRO 307 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3kqz h PRO 307 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3kqz h PRO 307 CO 0.42 0.25 -0.01 0.28 -0.21 0.00 0.00 178.00 178.73 3kqz h VAL 308 N 0.00 1.49 -0.12 3.15 2.07 -1.94 -2.60 116.25 118.31 3kqz h VAL 308 Ca -0.00 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.63 3kqz h VAL 308 Cb 0.48 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3kqz h VAL 308 CO 0.03 0.46 0.08 0.77 0.02 0.00 0.00 177.57 178.93 3kqz h SER 309 N -0.88 0.13 0.05 0.57 4.64 -1.82 0.13 113.55 116.36 3kqz h SER 309 Ca -0.00 -0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.05 3kqz h SER 309 Cb 0.78 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3kqz h SER 309 CO 0.00 0.10 -1.06 0.25 -0.87 0.00 0.00 176.83 175.25 3kqz h LEU 310 N 0.16 0.85 -0.66 5.97 5.85 -1.17 -0.68 115.31 125.63 3kqz h LEU 310 Ca 0.04 -0.78 -0.14 0.00 0.84 0.00 0.00 57.88 57.84 3kqz h LEU 310 Cb -0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3kqz h LEU 310 CO -0.01 1.53 -0.62 0.77 -0.34 0.00 0.00 178.44 179.77 3kqz h SER 311 N 0.28 0.21 -0.83 1.25 4.64 -1.03 -1.43 113.55 116.64 3kqz h SER 311 Ca -0.15 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3kqz h SER 311 Cb 1.73 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.72 3kqz h SER 311 CO 0.21 0.77 0.51 0.78 -0.87 0.00 0.00 176.83 178.23 3kqz h ASN 312 N 0.13 0.99 -0.48 4.97 2.35 -0.67 -0.73 115.58 122.15 3kqz h ASN 312 Ca -0.01 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3kqz h ASN 312 Cb 1.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 3kqz h ASN 312 CO 0.09 0.76 0.20 0.00 -1.65 0.00 0.00 177.43 176.83 3kqz h ALA 313 N 1.28 0.62 -0.58 -0.83 0.00 -0.66 -2.16 119.26 116.93 3kqz h ALA 313 Ca 0.30 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kqz h ALA 313 Cb -0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3kqz h ALA 313 CO -0.06 0.22 0.21 0.00 0.00 0.00 0.00 179.25 179.63 3kqz h ALA 314 N 1.04 0.74 -0.15 0.00 0.00 -0.89 0.15 119.26 120.14 3kqz h ALA 314 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kqz h ALA 314 Cb 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kqz h ALA 314 CO -0.01 -0.19 0.09 0.28 0.00 0.00 0.00 179.25 179.41 3kqz h VAL 315 N 0.40 1.03 -0.56 0.00 2.07 -0.95 -0.85 116.25 117.39 3kqz h VAL 315 Ca 0.29 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.79 3kqz h VAL 315 Cb 0.34 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3kqz h VAL 315 CO -0.29 0.03 0.29 -0.33 0.02 0.00 0.00 177.57 177.30 3kqz h GLU 316 N 0.19 0.55 -0.69 1.57 5.08 -1.00 -0.31 114.58 119.96 3kqz h GLU 316 Ca 0.06 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3kqz h GLU 316 Cb -0.01 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3kqz h GLU 316 CO -0.02 0.36 0.45 1.25 -1.00 0.00 0.00 179.01 180.05 3kqz h LEU 317 N 0.56 0.76 -0.58 1.33 5.85 -0.37 -0.05 115.31 122.82 3kqz h LEU 317 Ca 0.25 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3kqz h LEU 317 Cb 0.14 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3kqz h LEU 317 CO -0.16 0.54 0.09 0.00 -0.34 0.00 0.00 178.44 178.57 3kqz h ALA 318 N 1.27 0.77 -0.31 1.25 0.00 -0.66 -1.96 119.26 119.63 3kqz h ALA 318 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kqz h ALA 318 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kqz h ALA 318 CO -0.08 0.52 0.10 1.96 0.00 0.00 0.00 179.25 181.75 3kqz h GLN 319 N 0.86 0.49 0.00 0.00 4.20 -0.79 0.45 115.11 120.31 3kqz h GLN 319 Ca 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3kqz h GLN 319 Cb 0.42 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3kqz h GLN 319 CO 0.01 0.53 -0.03 0.87 -0.67 0.00 0.00 178.83 179.54 3kqz h LYS 320 N 0.35 0.00 -0.01 1.46 1.57 -0.65 -2.97 116.57 116.32 3kqz h LYS 320 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3kqz h LYS 320 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3kqz h LYS 320 CO -0.00 0.03 -0.17 1.28 -0.57 0.00 0.00 179.45 180.01 3kqz n LEU 321 N -3.20 1.70 -3.46 2.94 4.77 -0.72 -5.00 117.00 114.03 3kqz n LEU 321 Ca -0.01 -0.85 -0.18 0.00 -0.03 0.00 0.00 56.01 54.93 3kqz n LEU 321 Cb 0.21 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.39 3kqz n LEU 321 CO 0.25 0.32 0.13 0.59 -1.33 0.00 0.00 177.39 177.35 3kqz n ASN 322 N 0.17 -2.67 -4.90 -1.43 3.02 0.13 -4.93 115.26 104.66 3kqz n ASN 322 Ca 0.06 -0.61 -0.33 0.00 -0.03 0.00 0.00 54.58 53.67 3kqz n ASN 322 Cb 0.30 -5.09 -0.05 0.00 -0.61 0.00 0.00 39.78 34.34 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 -6.51 4.35 0.36 3.41 1.43 0.10 -5.01 118.68 116.81 3kqz s LEU 323 Ca 0.09 0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 3kqz s LEU 323 Cb -0.04 -2.65 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 3kqz s LEU 323 CO 0.73 0.25 1.28 -1.61 0.23 0.00 0.00 176.35 177.23 3kqz s GLU 324 N -2.01 4.22 0.18 1.70 8.01 -1.12 -4.61 118.70 125.07 3kqz s GLU 324 Ca 0.28 2.14 -0.07 0.00 0.01 0.00 0.00 54.97 57.33 3kqz s GLU 324 Cb -0.13 -2.94 -0.02 0.00 -4.31 0.00 0.00 34.13 26.73 3kqz s GLU 324 CO 0.20 -0.28 0.24 1.52 0.01 0.00 0.00 175.26 176.95 3kqz s TYR 325 N -1.21 0.61 -0.29 1.61 -0.85 -1.26 0.09 117.35 116.05 3kqz s TYR 325 Ca 0.52 -0.95 -0.16 0.00 -0.52 0.00 0.00 57.07 55.96 3kqz s TYR 325 Cb -0.38 -0.19 0.15 0.00 0.38 0.00 0.00 41.96 41.92 3kqz s TYR 325 CO 0.50 -0.71 0.96 0.21 -1.52 0.00 0.00 175.55 174.99 3kqz s LYS 326 N -4.02 0.37 -0.25 -3.49 2.20 -0.30 -4.98 119.74 109.27 3kqz s LYS 326 Ca 0.23 0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 56.51 3kqz s LYS 326 Cb 0.04 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 3kqz s LYS 326 CO 0.04 -0.09 -0.03 0.42 -0.36 0.00 0.00 175.35 175.32 3kqz s ILE 327 N 1.61 3.17 -0.12 5.43 -1.09 -1.26 -0.70 121.20 128.24 3kqz s ILE 327 Ca -0.08 -0.84 -0.23 0.00 -2.23 0.00 0.00 60.65 57.27 3kqz s ILE 327 Cb -0.04 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.24 3kqz s ILE 327 CO -0.16 0.24 0.71 -0.76 -1.23 0.00 0.00 174.94 173.74 3kqz s LEU 328 N 1.39 4.25 0.00 2.97 1.43 -0.02 -4.90 118.68 123.80 3kqz s LEU 328 Ca 0.02 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 3kqz s LEU 328 Cb -0.16 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.05 3kqz s LEU 328 CO -0.03 -0.21 0.46 0.61 0.23 0.00 0.00 176.35 177.41 3kqz n GLY 329 N 3.33 0.92 0.12 -3.19 0.00 -1.26 -1.07 105.19 104.04 3kqz n GLY 329 Ca -0.00 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 3kqz n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 330 N -0.40 1.06 -0.58 1.61 2.07 -1.96 -1.20 116.25 116.86 3kqz h VAL 330 Ca -0.15 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3kqz h VAL 330 Cb 0.59 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3kqz h VAL 330 CO 0.17 0.06 0.29 0.11 0.02 0.00 0.00 177.57 178.22 3kqz h LYS 331 N 0.31 0.53 -0.60 1.57 1.79 -1.96 0.24 116.57 118.46 3kqz h LYS 331 Ca 0.09 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3kqz h LYS 331 Cb -0.03 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 3kqz h LYS 331 CO -0.02 0.35 0.16 0.93 -1.08 0.00 0.00 179.45 179.79 3kqz h GLU 332 N 0.55 0.93 -0.47 3.15 3.07 -1.89 -1.64 114.58 118.28 3kqz h GLU 332 Ca 0.26 -0.19 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 3kqz h GLU 332 Cb 0.19 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 3kqz h GLU 332 CO -0.19 0.82 -0.05 -0.07 -1.40 0.00 0.00 179.01 178.12 3kqz h LEU 333 N 0.89 0.78 -0.32 1.33 3.38 -0.30 -0.43 115.31 120.64 3kqz h LEU 333 Ca 0.19 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kqz h LEU 333 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kqz h LEU 333 CO -0.00 0.88 0.21 -0.33 0.09 0.00 0.00 178.44 179.28 3kqz h GLU 334 N 0.74 0.41 -0.50 1.13 5.08 -0.43 -1.65 114.58 119.36 3kqz h GLU 334 Ca 0.13 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3kqz h GLU 334 Cb 0.52 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3kqz h GLU 334 CO 0.03 0.27 0.08 0.93 -1.00 0.00 0.00 179.01 179.32 3kqz h GLU 335 N 0.42 0.77 0.00 2.33 5.08 -0.91 0.80 114.58 123.07 3kqz h GLU 335 Ca 0.12 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kqz h GLU 335 Cb -0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3kqz h GLU 335 CO -0.03 0.73 0.00 1.28 -1.00 0.00 0.00 179.01 179.99 3kqz n LEU 336 N -4.26 0.00 -3.52 1.33 4.77 -0.20 -4.89 117.00 110.22 3kqz n LEU 336 Ca 0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.75 3kqz n LEU 336 Cb 0.25 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3kqz n LEU 336 CO 0.40 0.00 0.06 0.29 -1.33 0.00 0.00 177.39 176.81 3kqz n LYS 337 N -0.84 -5.09 -1.72 3.23 5.02 0.27 -4.70 118.16 114.33 3kqz n LYS 337 Ca 0.15 0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 3kqz n LYS 337 Cb 0.07 -5.52 -0.01 0.00 -0.02 0.00 0.00 35.03 29.55 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -4.32 3.26 0.23 1.97 2.81 -0.69 -2.43 117.12 117.95 3kqz n MET 338 Ca -0.01 -2.67 0.12 0.00 -1.81 0.00 0.00 57.70 53.33 3kqz n MET 338 Cb 0.56 -3.08 0.42 0.00 -0.71 0.00 0.00 33.22 30.40 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 8.73 0.00 0.26 3.03 0.00 -1.73 0.27 103.07 113.63 3kqz h GLY 339 Ca 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 3kqz h GLY 339 CO 1.81 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 178.29 3kqz h ALA 340 N 1.89 -0.16 -0.19 3.60 0.00 -1.82 -2.23 119.26 120.34 3kqz h ALA 340 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3kqz h ALA 340 Cb 0.79 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3kqz h ALA 340 CO 0.01 -0.22 -0.37 -0.92 0.00 0.00 0.00 179.25 177.75 3kqz h TYR 341 N -0.91 -1.04 -0.68 0.00 3.20 -1.62 -2.98 116.97 112.93 3kqz h TYR 341 Ca -0.02 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3kqz h TYR 341 Cb 0.52 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 3kqz h TYR 341 CO 0.10 -0.43 0.45 -0.07 -1.64 0.00 0.00 178.16 176.57 3kqz h LEU 342 N -0.41 0.77 -1.02 2.82 3.38 -1.02 -2.20 115.31 117.63 3kqz h LEU 342 Ca 0.10 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3kqz h LEU 342 Cb 0.58 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3kqz h LEU 342 CO -0.41 0.55 0.64 0.28 0.09 0.00 0.00 178.44 179.59 3kqz h SER 343 N 0.91 0.98 -0.57 -0.43 0.02 -1.26 -2.13 113.55 111.07 3kqz h SER 343 Ca 0.25 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3kqz h SER 343 Cb -0.08 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3kqz h SER 343 CO -0.06 0.58 0.04 0.58 -1.14 0.00 0.00 176.83 176.83 3kqz h VAL 344 N 1.08 1.26 -0.00 2.27 2.07 -1.26 -2.76 116.25 118.92 3kqz h VAL 344 Ca 0.46 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3kqz h VAL 344 Cb 0.32 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3kqz h VAL 344 CO -0.21 0.39 -0.13 0.61 0.02 0.00 0.00 177.57 178.24 3kqz n GLY 345 N -0.54 -1.18 0.29 2.17 0.00 -1.06 -4.24 105.19 100.63 3kqz n GLY 345 Ca 0.03 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.92 3kqz n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqz h LYS 346 N 0.25 0.32 0.00 1.61 1.57 -1.08 -0.72 116.57 118.52 3kqz h LYS 346 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kqz h LYS 346 Cb 0.41 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kqz h LYS 346 CO 0.00 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 3kqz n GLY 347 N -1.35 -0.94 3.83 3.86 0.00 -1.24 -4.52 105.19 104.84 3kqz n GLY 347 Ca 0.18 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.64 6.91 0.00 1.61 0.15 -0.28 -4.65 113.70 114.81 3kqz s SER 348 Ca 0.16 1.21 0.17 0.00 0.70 0.00 0.00 55.95 58.19 3kqz s SER 348 Cb 0.12 -2.34 0.72 0.00 -1.71 0.00 0.00 66.02 62.82 3kqz s SER 348 CO 0.29 0.08 1.54 1.15 1.20 0.00 0.00 173.24 177.50 3kqz n MET 349 N 0.78 0.01 -3.80 5.44 0.00 -1.26 -4.65 117.12 113.64 3kqz n MET 349 Ca -0.04 0.21 -0.36 0.00 0.00 0.00 0.00 57.70 57.50 3kqz n MET 349 Cb 0.52 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.13 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 -2.98 3.20 0.20 3.17 1.51 -1.26 -4.89 117.35 116.29 3kqz s TYR 350 Ca 0.08 -0.06 -0.32 0.00 -1.01 0.00 0.00 57.07 55.76 3kqz s TYR 350 Cb 0.11 -2.21 -0.14 0.00 -0.11 0.00 0.00 41.96 39.61 3kqz s TYR 350 CO 0.30 -0.09 1.44 -2.30 -1.11 0.00 0.00 175.55 173.80 3kqz n PRO 351 N 4.39 1.97 -1.63 -1.71 -0.02 -1.26 -4.75 135.00 131.99 3kqz n PRO 351 Ca -0.16 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 3kqz n PRO 351 Cb 0.52 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3kqz n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kqz n ASN 352 N 2.55 1.50 -3.66 2.55 4.13 -1.26 -4.51 115.26 116.56 3kqz n ASN 352 Ca 0.14 1.04 -0.19 0.00 1.68 0.00 0.00 54.58 57.25 3kqz n ASN 352 Cb 0.29 -1.38 -0.17 0.00 -1.54 0.00 0.00 39.78 36.98 3kqz n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kqz s LYS 353 N -2.07 -0.03 -0.36 3.52 -0.14 -0.86 -3.97 119.74 115.84 3kqz s LYS 353 Ca 0.63 0.43 -0.13 0.00 -1.36 0.00 0.00 55.97 55.54 3kqz s LYS 353 Cb -0.55 -0.48 -0.00 0.00 -1.68 0.00 0.00 37.83 35.12 3kqz s LYS 353 CO 0.57 -0.34 0.25 0.12 -0.76 0.00 0.00 175.35 175.19 3kqz s PHE 354 N 2.22 3.23 -0.02 3.18 2.19 -0.23 -1.66 117.98 126.88 3kqz s PHE 354 Ca 0.04 -0.38 -0.30 0.00 0.33 0.00 0.00 56.93 56.63 3kqz s PHE 354 Cb -0.12 -2.50 -0.03 0.00 -1.31 0.00 0.00 43.02 39.06 3kqz s PHE 354 CO -0.04 -0.44 1.05 0.42 1.83 0.00 0.00 175.22 178.04 3kqz s ILE 355 N 1.70 4.62 -0.19 3.12 1.01 -0.19 -0.84 121.20 130.43 3kqz s ILE 355 Ca 0.05 1.89 -0.03 0.00 0.00 0.00 0.00 60.65 62.57 3kqz s ILE 355 Cb -0.18 -4.21 0.06 0.00 0.01 0.00 0.00 42.46 38.14 3kqz s ILE 355 CO 0.10 0.10 0.03 -2.28 0.00 0.00 0.00 174.94 172.88 3kqz s HIS 356 N 1.40 1.09 0.14 3.97 2.46 0.13 -1.17 115.29 123.31 3kqz s HIS 356 Ca 0.53 -0.88 0.09 0.00 0.47 0.00 0.00 55.06 55.26 3kqz s HIS 356 Cb -0.22 -1.05 -0.04 0.00 -0.13 0.00 0.00 32.58 31.13 3kqz s HIS 356 CO 0.25 -0.61 -0.16 -0.51 -2.47 0.00 0.00 174.74 171.24 3kqz s LEU 357 N 1.84 2.77 -0.02 8.88 1.02 -1.21 -1.15 118.68 130.80 3kqz s LEU 357 Ca -0.01 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.57 3kqz s LEU 357 Cb -0.17 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.49 3kqz s LEU 357 CO -0.08 0.15 -0.05 -0.89 0.02 0.00 0.00 176.35 175.51 3kqz s THR 358 N -1.35 0.45 -0.12 5.49 2.01 0.11 -0.80 115.64 121.44 3kqz s THR 358 Ca 0.20 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 3kqz s THR 358 Cb -0.10 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 3kqz s THR 358 CO 0.12 0.17 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.63 3kqz s TYR 359 N 0.42 2.83 -0.09 4.92 5.04 -0.11 -2.79 117.35 127.57 3kqz s TYR 359 Ca -0.05 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.12 3kqz s TYR 359 Cb -0.09 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.42 3kqz s TYR 359 CO -0.00 -0.09 -0.12 0.21 -1.34 0.00 0.00 175.55 174.21 3kqz s LYS 360 N 0.11 1.79 0.53 4.97 2.20 -1.26 -0.44 119.74 127.65 3kqz s LYS 360 Ca -0.05 -0.41 -0.22 0.00 -0.36 0.00 0.00 55.97 54.93 3kqz s LYS 360 Cb -0.15 -1.58 -0.05 0.00 -1.51 0.00 0.00 37.83 34.54 3kqz s LYS 360 CO 0.04 -0.08 1.37 -1.12 -0.36 0.00 0.00 175.35 175.20 3kqz s SER 361 N 1.03 5.35 0.45 1.43 0.01 -0.18 -5.01 113.70 116.78 3kqz s SER 361 Ca -0.07 2.79 -0.23 0.00 1.31 0.00 0.00 55.95 59.74 3kqz s SER 361 Cb -0.15 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.37 3kqz s SER 361 CO -0.01 -1.52 1.16 -0.54 0.41 0.00 0.00 173.24 172.75 3kqz s LYS 362 N -2.84 3.83 1.01 12.44 1.02 -1.26 -4.84 119.74 129.10 3kqz s LYS 362 Ca 0.70 1.78 0.00 0.00 0.02 0.00 0.00 55.97 58.47 3kqz s LYS 362 Cb -0.41 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3kqz s LYS 362 CO 0.49 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 3kqz n GLY 363 N 0.48 -1.48 3.69 -3.33 0.00 -1.26 -4.51 105.19 98.77 3kqz n GLY 363 Ca 0.07 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3kqz n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kqz s ASP 364 N -4.00 7.05 -0.42 1.61 3.84 -1.26 -4.93 116.67 118.56 3kqz s ASP 364 Ca 0.00 1.81 -0.24 0.00 -0.00 0.00 0.00 52.55 54.12 3kqz s ASP 364 Cb 0.00 -2.56 0.02 0.00 -1.38 0.00 0.00 42.92 39.00 3kqz s ASP 364 CO 0.00 -0.58 0.84 -0.69 -0.00 0.00 0.00 175.17 174.74 3kqz s VAL 365 N 2.21 4.61 -0.19 2.11 1.01 -1.26 -3.47 120.40 125.42 3kqz s VAL 365 Ca 0.56 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 3kqz s VAL 365 Cb -0.25 -4.33 -0.21 0.00 0.00 0.00 0.00 36.38 31.60 3kqz s VAL 365 CO 0.22 -0.66 0.07 0.29 0.00 0.00 0.00 175.10 175.02 3kqz n LYS 366 N 6.78 0.70 -5.08 2.72 5.02 -0.25 -4.93 118.16 123.12 3kqz n LYS 366 Ca 0.04 0.23 -0.31 0.00 -2.02 0.00 0.00 58.31 56.25 3kqz n LYS 366 Cb 0.48 -1.62 -0.15 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.53 2.13 -0.14 1.97 -0.14 -0.97 -5.03 119.74 115.02 3kqz s LYS 367 Ca -0.29 -0.92 0.02 0.00 -1.36 0.00 0.00 55.97 53.42 3kqz s LYS 367 Cb 0.08 -2.11 0.01 0.00 -1.68 0.00 0.00 37.83 34.13 3kqz s LYS 367 CO 0.67 0.56 -0.20 0.15 -0.76 0.00 0.00 175.35 175.77 3kqz s LYS 368 N -0.85 2.89 -0.04 1.68 1.02 -1.26 -1.37 119.74 121.81 3kqz s LYS 368 Ca 0.11 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.34 3kqz s LYS 368 Cb -0.10 -2.38 -0.00 0.00 -0.52 0.00 0.00 37.83 34.82 3kqz s LYS 368 CO 0.01 -0.07 -0.17 0.42 -0.92 0.00 0.00 175.35 174.62 3kqz s ILE 369 N 0.96 1.40 -0.16 2.17 1.01 -0.20 0.69 121.20 127.06 3kqz s ILE 369 Ca -0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3kqz s ILE 369 Cb -0.15 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3kqz s ILE 369 CO -0.04 0.40 0.04 0.00 0.00 0.00 0.00 174.94 175.33 3kqz s ALA 370 N -0.00 3.33 -0.21 9.38 0.00 0.30 0.49 121.76 135.05 3kqz s ALA 370 Ca -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3kqz s ALA 370 Cb -0.11 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.24 3kqz s ALA 370 CO 0.02 0.27 -0.12 -0.51 0.00 0.00 0.00 175.76 175.42 3kqz s LEU 371 N 0.11 2.61 -0.13 0.00 1.43 0.70 -1.59 118.68 121.82 3kqz s LEU 371 Ca 0.04 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3kqz s LEU 371 Cb -0.13 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 3kqz s LEU 371 CO 0.01 -0.03 -0.17 -0.69 0.23 0.00 0.00 176.35 175.70 3kqz s VAL 372 N 1.35 2.64 -0.09 -1.59 1.01 0.04 -1.89 120.40 121.89 3kqz s VAL 372 Ca 0.04 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3kqz s VAL 372 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3kqz s VAL 372 CO -0.08 0.53 -0.23 -0.83 0.00 0.00 0.00 175.10 174.49 3kqz s GLY 373 N 0.45 1.34 0.06 4.51 0.00 -1.25 -0.28 107.32 112.16 3kqz s GLY 373 Ca -0.12 -0.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 3kqz s GLY 373 CO 0.05 -0.45 1.35 1.25 0.00 0.00 0.00 173.10 175.30 3kqz s LYS 374 N 0.12 4.33 -0.52 2.90 2.20 -0.58 -4.12 119.74 124.07 3kqz s LYS 374 Ca -0.11 1.97 0.07 0.00 -0.36 0.00 0.00 55.97 57.53 3kqz s LYS 374 Cb -0.16 -3.38 0.29 0.00 -1.51 0.00 0.00 37.83 33.07 3kqz s LYS 374 CO 0.06 -0.44 0.73 0.41 -0.36 0.00 0.00 175.35 175.76 3kqz n GLY 375 N 3.48 4.31 3.59 5.54 0.00 -1.26 -0.97 105.19 119.87 3kqz n GLY 375 Ca 0.11 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.59 4.90 -0.25 -0.61 -1.09 -0.92 -1.13 121.20 119.50 3kqz s ILE 376 Ca 0.41 0.78 0.18 0.00 -2.23 0.00 0.00 60.65 59.78 3kqz s ILE 376 Cb 0.22 -4.05 0.13 0.00 -1.58 0.00 0.00 42.46 37.17 3kqz s ILE 376 CO -0.08 -0.23 1.42 0.71 -1.23 0.00 0.00 174.94 175.53 3kqz h THR 377 N 5.61 0.52 -2.93 2.92 1.35 -1.02 0.00 112.91 119.37 3kqz h THR 377 Ca -0.26 -1.76 -0.15 0.00 -0.55 0.00 0.00 66.41 63.69 3kqz h THR 377 Cb 1.11 2.21 -0.26 0.00 -1.73 0.00 0.00 68.15 69.48 3kqz h THR 377 CO 0.83 0.30 -0.37 0.12 -0.25 0.00 0.00 175.52 176.14 3kqz s PHE 378 N -3.06 -0.39 -0.49 4.73 5.36 -1.26 -4.34 117.98 118.53 3kqz s PHE 378 Ca 0.04 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 3kqz s PHE 378 Cb 0.07 0.13 0.13 0.00 -0.34 0.00 0.00 43.02 43.00 3kqz s PHE 378 CO 0.73 -0.21 0.25 0.34 -1.46 0.00 0.00 175.22 174.86 3kqz s ASP 379 N 0.63 4.74 0.56 6.13 2.15 -1.19 -0.68 116.67 129.01 3kqz s ASP 379 Ca -0.04 -2.67 0.34 0.00 0.43 0.00 0.00 52.55 50.61 3kqz s ASP 379 Cb -0.05 -1.71 1.56 0.00 -0.30 0.00 0.00 42.92 42.42 3kqz s ASP 379 CO -0.04 -0.33 2.07 0.77 -0.17 0.00 0.00 175.17 177.46 3kqz h SER 380 N 7.05 0.00 0.00 -0.34 4.64 -1.73 -3.45 113.55 119.72 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 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3kqz h SER 380 CO 0.66 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 3kqz n GLY 381 N -0.29 2.04 7.00 -0.77 0.00 -1.26 -0.24 105.19 111.67 3kqz n GLY 381 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -2.00 -0.16 0.38 -0.02 0.00 -1.26 -1.38 105.19 100.75 3kqz n GLY 382 Ca 0.00 -1.01 0.18 0.00 0.00 0.00 0.00 46.02 45.19 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 0.18 0.00 1.61 0.05 -1.83 -0.59 116.97 116.39 3kqz h TYR 383 Ca 0.00 0.01 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 3kqz h TYR 383 Cb 0.00 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 37.69 3kqz h TYR 383 CO 0.00 0.07 3.08 0.09 -1.05 0.00 0.00 178.16 180.36 3kqz n ASN 384 N -4.42 5.46 -4.76 3.88 4.13 -1.24 -4.98 115.26 113.34 3kqz n ASN 384 Ca 0.11 -2.59 -0.39 0.00 1.68 0.00 0.00 54.58 53.39 3kqz n ASN 384 Cb 0.56 -1.38 0.02 0.00 -1.54 0.00 0.00 39.78 37.44 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3kqz s LEU 385 N 0.83 4.05 -0.99 3.41 2.96 -0.23 -4.50 118.68 124.21 3kqz s LEU 385 Ca 0.54 2.79 -0.24 0.00 -0.22 0.00 0.00 54.13 57.01 3kqz s LEU 385 Cb 0.14 -4.05 -0.04 0.00 0.50 0.00 0.00 46.19 42.75 3kqz s LEU 385 CO -0.03 -1.22 1.87 -0.54 -1.32 0.00 0.00 176.35 175.11 3kqz s LYS 386 N -2.56 2.75 -0.01 1.98 1.02 0.67 -4.56 119.74 119.02 3kqz s LYS 386 Ca 0.63 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 56.03 3kqz s LYS 386 Cb -0.41 -5.16 -0.05 0.00 -0.52 0.00 0.00 37.83 31.69 3kqz s LYS 386 CO 0.51 -3.28 0.07 0.00 -0.92 0.00 0.00 175.35 171.73 3kqz n ALA 387 N 13.12 2.09 -1.79 5.17 0.00 -1.26 -4.70 120.51 133.14 3kqz n ALA 387 Ca 0.40 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 3kqz n ALA 387 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.22 2.91 0.18 0.00 0.00 -1.26 -4.94 121.76 116.42 3kqz s ALA 388 Ca -0.01 0.70 -0.33 0.00 0.00 0.00 0.00 51.96 52.31 3kqz s ALA 388 Cb 0.02 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 3kqz s ALA 388 CO 0.15 -0.39 1.55 -2.30 0.00 0.00 0.00 175.76 174.77 3kqz n PRO 389 N -0.73 2.15 -0.57 0.00 -0.02 -1.26 -1.36 135.00 133.21 3kqz n PRO 389 Ca 0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3kqz n PRO 389 Cb 0.51 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.19 0.76 0.00 -1.23 0.00 -1.26 -4.93 105.19 101.72 3kqz n GLY 390 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3kqz n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqz n SER 391 N 0.00 0.00 -4.16 1.61 3.41 -0.46 -4.94 113.62 109.07 3kqz n SER 391 Ca 0.00 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.65 3kqz n SER 391 Cb 0.00 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 3kqz n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqz n MET 392 N -1.44 -1.90 -0.04 4.33 2.81 -1.26 -4.85 117.12 114.76 3kqz n MET 392 Ca 0.08 0.22 0.22 0.00 -1.81 0.00 0.00 57.70 56.42 3kqz n MET 392 Cb 0.29 -3.96 0.70 0.00 -0.71 0.00 0.00 33.22 29.54 3kqz n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqz h ILE 393 N -1.83 0.69 0.00 2.02 2.10 -1.92 -1.04 117.51 117.54 3kqz h ILE 393 Ca -0.65 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.29 3kqz h ILE 393 Cb 1.39 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 3kqz h ILE 393 CO 0.67 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.84 3kqz n ASP 394 N -4.35 0.14 0.00 2.19 5.75 -1.26 -1.66 116.55 117.36 3kqz n ASP 394 Ca 0.12 0.53 0.11 0.00 -0.01 0.00 0.00 54.79 55.54 3kqz n ASP 394 Cb 0.69 -0.56 0.04 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.65 0.76 0.00 -2.12 7.94 -0.39 -4.67 117.00 116.87 3kqz n LEU 395 Ca 0.04 -0.26 0.07 0.00 -1.11 0.00 0.00 56.01 54.75 3kqz n LEU 395 Cb 0.23 -0.11 0.38 0.00 0.53 0.00 0.00 43.42 44.45 3kqz n LEU 395 CO 0.18 0.19 0.66 0.23 -1.11 0.00 0.00 177.39 177.53 3kqz n MET 396 N -1.52 0.31 0.29 1.96 2.81 -0.66 -0.81 117.12 119.50 3kqz n MET 396 Ca 0.05 0.08 0.18 0.00 -1.81 0.00 0.00 57.70 56.20 3kqz n MET 396 Cb 0.34 -1.50 0.93 0.00 -0.71 0.00 0.00 33.22 32.28 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 -1.83 -2.21 116.57 114.66 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 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3kqz h LYS 397 CO 0.00 0.00 -0.07 1.97 -2.00 0.00 0.00 179.45 179.35 3kqz n PHE 398 N -3.20 0.00 1.01 0.07 -0.00 0.01 -3.63 117.46 111.73 3kqz n PHE 398 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.52 3kqz n PHE 398 Cb 0.30 -0.13 0.48 0.00 -0.00 0.00 0.00 39.48 40.13 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 -0.84 0.00 -1.22 5.98 2.03 -0.84 -0.94 116.55 120.72 3kqz n ASP 399 Ca 0.17 -0.47 0.09 0.00 0.52 0.00 0.00 54.79 55.10 3kqz n ASP 399 Cb 0.25 -0.02 0.29 0.00 -0.72 0.00 0.00 41.12 40.92 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 -1.02 3.18 0.01 -0.67 0.00 -0.01 -2.17 117.12 116.44 3kqz n MET 400 Ca 0.12 -2.62 0.20 0.00 0.00 0.00 0.00 57.70 55.40 3kqz n MET 400 Cb 0.06 -1.65 0.70 0.00 0.00 0.00 0.00 33.22 32.34 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 3.40 0.00 -0.12 3.17 0.02 -1.19 0.20 113.55 119.02 3kqz h SER 401 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3kqz h SER 401 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3kqz h SER 401 CO 0.11 0.00 -0.07 1.23 -1.14 0.00 0.00 176.83 176.96 3kqz h GLY 402 N 0.00 0.29 1.04 -3.77 0.00 -1.74 -1.25 103.07 97.64 3kqz h GLY 402 Ca 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3kqz h GLY 402 CO -0.00 0.24 0.65 0.00 0.00 0.00 0.00 176.54 177.43 3kqz h ALA 404 N 1.39 0.59 -0.80 0.00 0.00 -0.76 0.04 119.26 119.72 3kqz h ALA 404 Ca 0.36 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kqz h ALA 404 Cb -0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3kqz h ALA 404 CO -0.08 0.49 0.52 0.00 0.00 0.00 0.00 179.25 180.18 3kqz h ALA 405 N 0.85 1.04 -0.64 0.00 0.00 -1.00 0.28 119.26 119.78 3kqz h ALA 405 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 405 Cb 0.67 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3kqz h ALA 405 CO 0.05 0.36 0.24 0.28 0.00 0.00 0.00 179.25 180.18 3kqz h VAL 406 N 1.02 1.24 -0.08 0.00 2.07 -0.56 -0.79 116.25 119.15 3kqz h VAL 406 Ca 0.31 -0.76 -0.18 0.00 0.82 0.00 0.00 66.70 66.89 3kqz h VAL 406 Cb -0.03 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3kqz h VAL 406 CO -0.10 0.30 -0.70 -0.07 0.02 0.00 0.00 177.57 177.02 3kqz h LEU 407 N 0.91 0.46 -0.98 2.57 4.07 -0.26 0.19 115.31 122.26 3kqz h LEU 407 Ca 0.21 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.78 3kqz h LEU 407 Cb 0.22 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3kqz h LEU 407 CO -0.02 1.02 -0.38 1.23 -1.08 0.00 0.00 178.44 179.21 3kqz h GLY 408 N 1.30 0.27 0.94 0.83 0.00 -0.33 -0.70 103.07 105.38 3kqz h GLY 408 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3kqz h GLY 408 CO 0.12 0.23 0.12 0.00 0.00 0.00 0.00 176.54 177.00 3kqz h ALA 410 N 0.99 0.76 -0.52 0.00 0.00 -0.42 0.54 119.26 120.63 3kqz h ALA 410 Ca 0.08 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3kqz h ALA 410 Cb 0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3kqz h ALA 410 CO -0.01 -0.13 0.15 -0.92 0.00 0.00 0.00 179.25 178.33 3kqz h TYR 411 N 0.47 0.25 -0.01 0.00 3.20 -0.88 0.44 116.97 120.45 3kqz h TYR 411 Ca 0.28 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 3kqz h TYR 411 Cb 0.29 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3kqz h TYR 411 CO -0.14 0.05 -0.01 0.00 -1.64 0.00 0.00 178.16 176.42 3kqz h VAL 413 N -0.51 0.98 0.00 0.00 2.07 0.10 0.25 116.25 119.13 3kqz h VAL 413 Ca 0.00 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3kqz h VAL 413 Cb 0.56 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3kqz h VAL 413 CO 0.00 0.08 -0.14 1.23 0.02 0.00 0.00 177.57 178.76 3kqz h GLY 414 N 0.42 0.00 0.65 2.17 0.00 -0.08 -1.26 103.07 104.97 3kqz h GLY 414 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.21 3kqz h GLY 414 CO -0.12 0.00 -1.49 -0.84 0.00 0.00 0.00 176.54 174.09 3kqz h THR 415 N 0.00 1.01 0.00 4.70 2.02 -0.45 -3.36 112.91 116.84 3kqz h THR 415 Ca -0.00 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.75 3kqz h THR 415 Cb 0.30 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3kqz h THR 415 CO 0.02 0.75 -0.24 0.18 0.37 0.00 0.00 175.52 176.60 3kqz n LEU 416 N -3.84 0.51 -3.75 2.58 4.77 0.80 -4.98 117.00 113.09 3kqz n LEU 416 Ca -0.25 0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.81 3kqz n LEU 416 Cb 0.94 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 3kqz n LEU 416 CO 0.44 -0.05 -0.11 0.29 -1.33 0.00 0.00 177.39 176.63 3kqz n LYS 417 N -1.89 -1.08 -1.29 3.23 5.02 -0.49 -4.93 118.16 116.74 3kqz n LYS 417 Ca 0.05 0.58 -0.32 0.00 -2.02 0.00 0.00 58.31 56.60 3kqz n LYS 417 Cb 0.39 -3.24 0.10 0.00 -0.02 0.00 0.00 35.03 32.25 3kqz n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqz s PRO 418 N -5.67 2.15 0.30 1.97 0.04 -1.26 -5.02 135.00 127.51 3kqz s PRO 418 Ca 0.26 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 3kqz s PRO 418 Cb -0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3kqz s PRO 418 CO 0.89 -1.75 0.52 -1.21 0.04 0.00 0.00 177.00 175.49 3kqz s GLU 419 N -4.59 3.53 -1.53 4.56 2.02 -1.26 -4.55 118.70 116.88 3kqz s GLU 419 Ca 0.65 -0.24 -0.04 0.00 0.02 0.00 0.00 54.97 55.36 3kqz s GLU 419 Cb -0.20 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.35 3kqz s GLU 419 CO 0.52 0.22 0.42 0.09 0.02 0.00 0.00 175.26 176.53 3kqz n ASN 420 N -1.33 -5.59 -4.09 -0.19 3.02 -1.23 -4.96 115.26 100.90 3kqz n ASN 420 Ca -0.04 -0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.22 3kqz n ASN 420 Cb 0.55 -4.57 -0.10 0.00 -0.61 0.00 0.00 39.78 35.05 3kqz n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kqz s VAL 421 N -3.08 0.33 -0.06 2.41 -7.23 -1.26 -1.09 120.40 110.43 3kqz s VAL 421 Ca 0.23 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3kqz s VAL 421 Cb -0.11 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 35.54 3kqz s VAL 421 CO 0.29 -0.86 -0.00 -0.70 -0.31 0.00 0.00 175.10 173.52 3kqz s GLU 422 N -3.40 0.52 -0.11 4.82 2.12 -0.47 -1.01 118.70 121.17 3kqz s GLU 422 Ca 0.04 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.49 3kqz s GLU 422 Cb 0.04 -0.81 0.01 0.00 0.26 0.00 0.00 34.13 33.62 3kqz s GLU 422 CO -0.07 -0.24 -0.21 0.42 -0.54 0.00 0.00 175.26 174.63 3kqz s ILE 423 N 1.63 1.86 -0.11 -3.70 -1.09 0.42 -1.04 121.20 119.18 3kqz s ILE 423 Ca -0.01 -0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 3kqz s ILE 423 Cb -0.13 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 3kqz s ILE 423 CO -0.03 0.51 0.24 -1.00 -1.23 0.00 0.00 174.94 173.43 3kqz s HIS 424 N 0.61 3.59 -0.65 3.97 3.76 0.18 -0.93 115.29 125.81 3kqz s HIS 424 Ca -0.13 0.64 0.06 0.00 -0.15 0.00 0.00 55.06 55.47 3kqz s HIS 424 Cb -0.17 -2.13 0.21 0.00 1.11 0.00 0.00 32.58 31.61 3kqz s HIS 424 CO 0.04 0.57 0.61 1.19 -0.85 0.00 0.00 174.74 176.30 3kqz n PHE 425 N 2.41 3.09 -1.18 1.40 3.72 0.02 -0.21 117.46 126.71 3kqz n PHE 425 Ca -0.16 -4.16 -0.22 0.00 -0.05 0.00 0.00 57.45 52.85 3kqz n PHE 425 Cb 0.53 -0.54 0.17 0.00 -0.94 0.00 0.00 39.48 38.70 3kqz n PHE 425 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kqz n LEU 426 N 1.46 0.00 0.00 4.37 4.77 -0.79 -3.34 117.00 123.47 3kqz n LEU 426 Ca 0.25 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3kqz n LEU 426 Cb 0.39 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3kqz n LEU 426 CO 0.32 -1.61 0.00 -0.24 -1.33 0.00 0.00 177.39 174.53 3kqz n SER 427 N -4.10 0.00 -4.54 -1.43 2.88 -0.32 -3.77 113.62 102.34 3kqz n SER 427 Ca 0.11 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.23 3kqz n SER 427 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 3kqz n SER 427 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kqz s ALA 428 N 0.00 3.07 0.03 -1.46 0.00 -1.26 -1.02 121.76 121.12 3kqz s ALA 428 Ca 0.00 -2.59 -0.24 0.00 0.00 0.00 0.00 51.96 49.13 3kqz s ALA 428 Cb 0.00 -4.46 -0.05 0.00 0.00 0.00 0.00 23.12 18.61 3kqz s ALA 428 CO 0.00 -3.38 0.72 0.08 0.00 0.00 0.00 175.76 173.18 3kqz s VAL 429 N 4.18 4.79 0.22 0.00 1.01 -0.67 -4.15 120.40 125.78 3kqz s VAL 429 Ca 0.46 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 3kqz s VAL 429 Cb 0.00 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.39 3kqz s VAL 429 CO -0.05 0.37 1.00 0.00 0.00 0.00 0.00 175.10 176.43 3kqz s GLU 431 N -2.20 1.82 -0.77 0.00 2.12 -1.26 -0.43 118.70 117.98 3kqz s GLU 431 Ca 0.21 -0.78 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 3kqz s GLU 431 Cb -0.03 -1.73 0.20 0.00 0.26 0.00 0.00 34.13 32.83 3kqz s GLU 431 CO 0.06 0.45 0.69 1.21 -0.54 0.00 0.00 175.26 177.13 3kqz s ASN 432 N -0.46 6.43 0.39 -1.70 2.47 0.15 -4.37 114.94 117.85 3kqz s ASN 432 Ca 0.07 -2.66 0.08 0.00 0.42 0.00 0.00 52.86 50.76 3kqz s ASN 432 Cb -0.09 -2.14 -0.06 0.00 -1.45 0.00 0.00 41.25 37.51 3kqz s ASN 432 CO -0.00 -0.55 0.10 -0.04 -3.72 0.00 0.00 177.10 172.89 3kqz s MET 433 N 0.21 2.14 -0.19 0.43 -1.94 -1.26 -1.80 119.30 116.89 3kqz s MET 433 Ca 0.17 -1.85 -0.06 0.00 -1.71 0.00 0.00 55.69 52.23 3kqz s MET 433 Cb -0.13 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 3kqz s MET 433 CO -0.07 -0.02 0.03 0.08 -0.01 0.00 0.00 175.02 175.03 3kqz s VAL 434 N -2.59 4.36 0.19 -6.03 1.01 -1.26 -4.59 120.40 111.49 3kqz s VAL 434 Ca 0.38 -0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3kqz s VAL 434 Cb 0.04 -2.97 0.05 0.00 0.00 0.00 0.00 36.38 33.50 3kqz s VAL 434 CO 0.21 0.44 0.85 -0.55 0.00 0.00 0.00 175.10 176.04 3kqz s SER 435 N 0.70 -0.24 0.48 3.32 0.15 -1.26 -4.98 113.70 111.86 3kqz s SER 435 Ca 0.02 -0.42 0.17 0.00 0.70 0.00 0.00 55.95 56.41 3kqz s SER 435 Cb -0.14 0.57 1.14 0.00 -1.71 0.00 0.00 66.02 65.89 3kqz s SER 435 CO 0.02 -1.05 2.05 0.07 1.20 0.00 0.00 173.24 175.53 3kqz h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.97 -3.11 116.57 121.03 3kqz h LYS 436 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3kqz h LYS 436 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kqz h LYS 436 CO 0.26 0.13 -0.18 0.09 -2.00 0.00 0.00 179.45 177.74 3kqz n ASN 437 N -4.29 0.92 -4.76 7.07 5.03 -1.26 -4.96 115.26 113.00 3kqz n ASN 437 Ca -0.03 -0.88 -0.33 0.00 0.87 0.00 0.00 54.58 54.22 3kqz n ASN 437 Cb 0.20 0.06 0.07 0.00 -1.02 0.00 0.00 39.78 39.09 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqz s SER 438 N -2.43 4.73 0.65 6.41 0.01 -1.18 -3.63 113.70 118.26 3kqz s SER 438 Ca 0.27 2.02 -0.16 0.00 1.31 0.00 0.00 55.95 59.40 3kqz s SER 438 Cb 0.20 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 3kqz s SER 438 CO 0.48 -1.89 1.12 -0.72 0.41 0.00 0.00 173.24 172.64 3kqz s TYR 439 N -2.43 2.60 0.01 2.43 1.13 -1.25 -4.85 117.35 114.99 3kqz s TYR 439 Ca 0.67 1.55 0.07 0.00 -1.41 0.00 0.00 57.07 57.95 3kqz s TYR 439 Cb -0.21 -3.20 -0.02 0.00 -1.10 0.00 0.00 41.96 37.43 3kqz s TYR 439 CO 0.46 -1.72 -0.22 1.03 -2.51 0.00 0.00 175.55 172.59 3kqz s ARG 440 N -3.99 1.69 0.12 -3.49 0.52 -1.26 -4.67 118.95 107.88 3kqz s ARG 440 Ca 0.68 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 3kqz s ARG 440 Cb -0.21 -1.71 -0.17 0.00 0.52 0.00 0.00 34.95 33.38 3kqz s ARG 440 CO 0.40 0.46 0.67 -2.30 0.02 0.00 0.00 175.30 174.54 3kqz n PRO 441 N 2.25 0.00 0.00 3.54 -0.02 -1.26 -0.11 135.00 139.40 3kqz n PRO 441 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3kqz n PRO 441 Cb 0.53 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 3kqz n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 442 N 1.68 3.42 3.75 -1.23 0.00 0.32 -5.00 105.19 108.12 3kqz n GLY 442 Ca 0.17 0.00 -0.40 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 0.01 3.11 -4.36 1.61 9.92 0.84 -4.56 116.55 123.11 3kqz n ASP 443 Ca 0.00 1.11 -0.35 0.00 -0.53 0.00 0.00 54.79 55.03 3kqz n ASP 443 Cb 0.00 -1.58 -0.14 0.00 -0.64 0.00 0.00 41.12 38.77 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqz s ILE 444 N -1.20 3.55 0.26 0.53 1.01 -1.26 -0.42 121.20 123.68 3kqz s ILE 444 Ca 0.61 -0.44 0.11 0.00 0.00 0.00 0.00 60.65 60.93 3kqz s ILE 444 Cb -0.46 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 3kqz s ILE 444 CO 0.58 0.43 -0.19 0.27 0.00 0.00 0.00 174.94 176.02 3kqz s ILE 445 N 1.28 2.32 -0.16 2.92 -4.36 -0.13 -4.91 121.20 118.15 3kqz s ILE 445 Ca 0.03 -2.36 0.01 0.00 -0.26 0.00 0.00 60.65 58.08 3kqz s ILE 445 Cb -0.14 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.34 3kqz s ILE 445 CO -0.01 -0.43 -0.18 -0.89 0.24 0.00 0.00 174.94 173.67 3kqz s THR 446 N -2.57 2.31 0.78 8.37 2.01 -1.26 -0.25 115.64 125.03 3kqz s THR 446 Ca 0.28 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.29 3kqz s THR 446 Cb -0.04 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.56 3kqz s THR 446 CO 0.13 0.53 1.12 0.00 -0.69 0.00 0.00 174.62 175.70 3kqz s ALA 447 N 1.04 2.46 -0.35 7.40 0.00 0.16 -2.22 121.76 130.25 3kqz s ALA 447 Ca -0.01 -0.36 0.25 0.00 0.00 0.00 0.00 51.96 51.83 3kqz s ALA 447 Cb -0.14 -3.05 1.08 0.00 0.00 0.00 0.00 23.12 21.01 3kqz s ALA 447 CO -0.05 -1.60 1.74 0.66 0.00 0.00 0.00 175.76 176.51 3kqz h SER 448 N -0.99 0.00 -0.45 0.00 4.64 -1.76 0.74 113.55 115.73 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 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kqz h SER 448 CO 0.62 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 3kqz n ASN 449 N -2.34 4.17 0.00 4.97 6.94 -1.26 -4.93 115.26 122.81 3kqz n ASN 449 Ca 0.01 -2.54 0.00 0.00 -0.02 0.00 0.00 54.58 52.03 3kqz n ASN 449 Cb 0.20 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 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 0.65 2.78 3.69 4.83 0.00 0.25 -5.01 105.19 112.38 3kqz n GLY 450 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.18 4.29 0.05 1.61 1.02 -1.25 -4.71 119.74 120.57 3kqz s LYS 451 Ca 0.00 1.96 -0.24 0.00 0.02 0.00 0.00 55.97 57.71 3kqz s LYS 451 Cb 0.00 -3.54 -0.06 0.00 -0.52 0.00 0.00 37.83 33.71 3kqz s LYS 451 CO 0.00 -0.55 0.74 0.95 -0.92 0.00 0.00 175.35 175.57 3kqz s THR 452 N 2.24 4.71 -0.08 2.17 -4.23 -1.26 -0.67 115.64 118.53 3kqz s THR 452 Ca 0.64 1.58 0.04 0.00 -1.18 0.00 0.00 61.69 62.76 3kqz s THR 452 Cb -0.32 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.44 3kqz s THR 452 CO 0.27 0.39 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.92 3kqz s ILE 453 N -0.22 1.70 -0.22 2.99 1.01 0.65 -1.38 121.20 125.72 3kqz s ILE 453 Ca 0.37 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3kqz s ILE 453 Cb -0.20 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3kqz s ILE 453 CO 0.23 0.48 0.45 -0.70 0.00 0.00 0.00 174.94 175.39 3kqz s GLU 454 N 0.37 4.13 -0.21 2.79 2.12 0.20 -0.95 118.70 127.14 3kqz s GLU 454 Ca -0.15 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.15 3kqz s GLU 454 Cb -0.16 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.64 3kqz s GLU 454 CO 0.06 -0.17 1.14 0.08 -0.54 0.00 0.00 175.26 175.83 3kqz s VAL 455 N 1.73 4.50 -0.08 3.70 1.01 0.44 -1.50 120.40 130.20 3kqz s VAL 455 Ca 0.20 1.81 0.19 0.00 0.00 0.00 0.00 61.98 64.17 3kqz s VAL 455 Cb -0.15 -4.19 -0.28 0.00 0.00 0.00 0.00 36.38 31.76 3kqz s VAL 455 CO 0.09 -0.18 0.32 0.61 0.00 0.00 0.00 175.10 175.93 3kqz n GLY 456 N 3.49 -0.90 3.36 4.51 0.00 -1.26 0.12 105.19 114.51 3kqz n GLY 456 Ca 0.13 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 3kqz n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqz s ASN 457 N -4.57 -0.52 0.43 1.61 3.84 -1.26 -4.75 114.94 109.72 3kqz s ASN 457 Ca -0.08 1.11 0.30 0.00 0.21 0.00 0.00 52.86 54.40 3kqz s ASN 457 Cb 0.10 1.37 1.19 0.00 -0.55 0.00 0.00 41.25 43.37 3kqz s ASN 457 CO 0.80 -0.22 1.87 0.71 -2.79 0.00 0.00 177.10 177.47 3kqz h THR 458 N 5.90 0.00 -0.05 -5.21 1.35 -1.89 0.29 112.91 113.30 3kqz h THR 458 Ca -0.22 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3kqz h THR 458 Cb 1.14 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3kqz h THR 458 CO 0.16 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.76 3kqz n ASP 459 N -2.76 0.60 -2.52 5.36 2.03 -0.48 -3.32 116.55 115.47 3kqz n ASP 459 Ca 0.01 -1.44 -0.32 0.00 0.52 0.00 0.00 54.79 53.56 3kqz n ASP 459 Cb 0.29 -0.03 0.03 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.43 6.27 0.10 -1.67 0.00 0.10 -4.70 120.51 120.19 3kqz n ALA 460 Ca 0.17 -3.36 -0.03 0.00 0.00 0.00 0.00 53.44 50.21 3kqz n ALA 460 Cb 0.17 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 3kqz n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqz h GLU 461 N 2.51 0.00 -0.01 0.00 9.09 -1.76 -3.34 114.58 121.08 3kqz h GLU 461 Ca 0.50 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.93 3kqz h GLU 461 Cb 0.52 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.59 3kqz h GLU 461 CO 1.26 0.77 -0.11 0.78 0.05 0.00 0.00 179.01 181.77 3kqz h GLY 462 N 2.95 -0.12 1.45 1.06 0.00 -1.90 -0.57 103.07 105.94 3kqz h GLY 462 Ca -0.01 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.46 3kqz h GLY 462 CO 0.10 -0.12 0.36 0.07 0.00 0.00 0.00 176.54 176.95 3kqz h ARG 463 N -0.18 0.69 -0.32 4.80 0.11 -1.95 -0.35 114.38 117.18 3kqz h ARG 463 Ca 0.04 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3kqz h ARG 463 Cb 0.24 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 3kqz h ARG 463 CO -0.12 0.46 0.16 -0.07 0.10 0.00 0.00 179.97 180.50 3kqz h LEU 464 N 0.72 0.42 -0.52 0.08 3.38 -1.33 0.19 115.31 118.24 3kqz h LEU 464 Ca 0.20 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3kqz h LEU 464 Cb -0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kqz h LEU 464 CO -0.05 0.43 -0.16 0.71 0.09 0.00 0.00 178.44 179.46 3kqz h THR 465 N 0.39 1.27 -0.63 0.22 1.35 -0.59 -2.99 112.91 111.93 3kqz h THR 465 Ca 0.11 -1.32 -0.06 0.00 -0.55 0.00 0.00 66.41 64.59 3kqz h THR 465 Cb 0.12 1.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 3kqz h THR 465 CO -0.01 0.46 0.16 -0.07 -0.25 0.00 0.00 175.52 175.81 3kqz h LEU 466 N 0.90 0.92 -0.59 3.87 3.38 -0.92 -0.98 115.31 121.88 3kqz h LEU 466 Ca 0.13 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3kqz h LEU 466 Cb 0.74 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 3kqz h LEU 466 CO 0.06 0.88 0.03 0.00 0.09 0.00 0.00 178.44 179.50 3kqz h ALA 467 N 1.23 0.60 -0.02 1.53 0.00 -0.48 0.70 119.26 122.82 3kqz h ALA 467 Ca 0.20 0.17 -0.21 0.00 0.00 0.00 0.00 54.91 55.07 3kqz h ALA 467 Cb 0.32 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kqz h ALA 467 CO -0.00 -0.37 -0.86 -0.44 0.00 0.00 0.00 179.25 177.57 3kqz h ASP 468 N 0.15 0.47 -0.08 0.00 3.32 -1.39 -1.95 116.42 116.94 3kqz h ASP 468 Ca 0.30 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3kqz h ASP 468 Cb 0.48 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3kqz h ASP 468 CO -0.47 1.13 -0.03 0.00 -1.72 0.00 0.00 179.24 178.15 3kqz h ALA 469 N 0.84 1.60 0.05 3.45 0.00 -0.16 -1.51 119.26 123.53 3kqz h ALA 469 Ca -0.06 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 3kqz h ALA 469 Cb 1.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3kqz h ALA 469 CO 0.15 0.29 -1.12 -0.07 0.00 0.00 0.00 179.25 178.50 3kqz h LEU 470 N 0.27 0.16 -0.26 0.00 3.38 0.51 0.44 115.31 119.81 3kqz h LEU 470 Ca 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3kqz h LEU 470 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kqz h LEU 470 CO 0.01 1.14 0.02 0.58 0.09 0.00 0.00 178.44 180.28 3kqz h VAL 471 N 0.03 1.24 -0.79 1.22 2.07 -1.02 -1.03 116.25 117.97 3kqz h VAL 471 Ca -0.07 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3kqz h VAL 471 Cb 1.86 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.86 3kqz h VAL 471 CO 0.15 0.27 0.51 0.22 0.02 0.00 0.00 177.57 178.74 3kqz h TYR 472 N 0.24 0.97 -0.36 1.57 3.20 -1.14 -1.66 116.97 119.80 3kqz h TYR 472 Ca 0.08 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3kqz h TYR 472 Cb 0.37 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3kqz h TYR 472 CO 0.03 0.59 0.14 0.00 -1.64 0.00 0.00 178.16 177.28 3kqz h ALA 473 N 1.31 0.46 -0.26 1.82 0.00 -0.72 -2.54 119.26 119.34 3kqz h ALA 473 Ca 0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3kqz h ALA 473 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3kqz h ALA 473 CO -0.09 0.06 -0.02 1.49 0.00 0.00 0.00 179.25 180.70 3kqz h GLU 474 N 0.43 0.39 0.00 0.00 4.81 -0.60 -0.75 114.58 118.85 3kqz h GLU 474 Ca 0.12 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kqz h GLU 474 Cb 0.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kqz h GLU 474 CO -0.01 0.43 0.00 1.63 -0.73 0.00 0.00 179.01 180.33 3kqz n LYS 475 N -4.31 0.05 0.01 1.92 5.02 -0.68 -1.89 118.16 118.27 3kqz n LYS 475 Ca 0.01 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 3kqz n LYS 475 Cb 0.22 -1.50 0.53 0.00 -0.02 0.00 0.00 35.03 34.26 3kqz n LYS 475 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kqz n LEU 476 N -1.47 0.08 -1.99 -0.35 4.77 -0.29 -4.93 117.00 112.82 3kqz n LEU 476 Ca 0.06 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.48 3kqz n LEU 476 Cb 0.24 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3kqz n LEU 476 CO 0.19 -0.09 0.04 0.61 -1.33 0.00 0.00 177.39 176.81 3kqz n GLY 477 N 1.10 0.13 3.87 -0.72 0.00 -0.79 -5.03 105.19 103.75 3kqz n GLY 477 Ca 0.06 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 3kqz n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kqz s VAL 478 N -3.14 4.64 -0.06 1.61 1.01 -1.26 -4.97 120.40 118.24 3kqz s VAL 478 Ca 0.04 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.79 3kqz s VAL 478 Cb -0.00 -3.53 -0.25 0.00 0.00 0.00 0.00 36.38 32.60 3kqz s VAL 478 CO 0.28 -0.33 0.62 0.44 0.00 0.00 0.00 175.10 176.11 3kqz h ASP 479 N 1.37 0.18 -3.62 3.32 3.32 -0.12 -3.47 116.42 117.40 3kqz h ASP 479 Ca -0.49 -0.38 -0.36 0.00 0.02 0.00 0.00 57.03 55.82 3kqz h ASP 479 Cb 1.24 -0.06 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 3kqz h ASP 479 CO 0.60 1.33 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.39 3kqz s TYR 480 N -2.59 0.54 -0.20 4.55 2.02 -1.08 -3.79 117.35 116.80 3kqz s TYR 480 Ca -0.11 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3kqz s TYR 480 Cb 0.07 -0.48 -0.01 0.00 -0.40 0.00 0.00 41.96 41.15 3kqz s TYR 480 CO 0.81 -0.11 -0.06 0.42 -1.57 0.00 0.00 175.55 175.04 3kqz s ILE 481 N 0.59 3.30 -0.17 2.71 1.01 -0.22 -0.54 121.20 127.88 3kqz s ILE 481 Ca -0.07 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3kqz s ILE 481 Cb -0.10 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.90 3kqz s ILE 481 CO -0.00 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.50 3kqz s VAL 482 N 1.27 1.98 0.20 2.92 1.01 -0.62 -1.21 120.40 125.95 3kqz s VAL 482 Ca 0.03 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3kqz s VAL 482 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3kqz s VAL 482 CO -0.02 0.53 0.26 1.51 0.00 0.00 0.00 175.10 177.38 3kqz s ASP 483 N 1.27 6.01 -0.03 3.32 1.47 0.03 -0.78 116.67 127.97 3kqz s ASP 483 Ca 0.04 -0.01 -0.02 0.00 1.18 0.00 0.00 52.55 53.74 3kqz s ASP 483 Cb -0.13 -1.70 0.02 0.00 -0.34 0.00 0.00 42.92 40.76 3kqz s ASP 483 CO -0.11 -0.01 0.07 -0.51 0.68 0.00 0.00 175.17 175.29 3kqz s ILE 484 N -1.91 -0.02 -0.28 2.11 2.07 0.61 -0.92 121.20 122.86 3kqz s ILE 484 Ca 0.33 0.08 -0.19 0.00 -1.41 0.00 0.00 60.65 59.46 3kqz s ILE 484 Cb -0.09 -0.11 0.11 0.00 0.13 0.00 0.00 42.46 42.50 3kqz s ILE 484 CO 0.27 0.03 0.88 0.00 -1.91 0.00 0.00 174.94 174.21 3kqz s ALA 485 N 0.44 -2.04 -1.23 1.50 0.00 -0.81 -1.53 121.76 118.09 3kqz s ALA 485 Ca -0.03 2.17 -0.18 0.00 0.00 0.00 0.00 51.96 53.92 3kqz s ALA 485 Cb -0.05 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 3kqz s ALA 485 CO -0.02 -0.33 2.02 0.25 0.00 0.00 0.00 175.76 177.68 3kqz n THR 486 N 3.42 3.02 -0.07 0.00 -2.24 -1.26 -1.11 114.28 116.04 3kqz n THR 486 Ca -0.17 -2.81 -0.09 0.00 -2.27 0.00 0.00 64.05 58.71 3kqz n THR 486 Cb 0.57 -2.44 -0.07 0.00 -2.10 0.00 0.00 70.33 66.29 3kqz n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqz h LEU 487 N 12.28 0.00 -7.89 3.22 5.85 -1.91 -3.44 115.31 123.42 3kqz h LEU 487 Ca 0.47 -0.52 -0.48 0.00 0.84 0.00 0.00 57.88 58.19 3kqz h LEU 487 Cb 0.73 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.42 3kqz h LEU 487 CO 1.74 0.85 -0.80 0.42 -0.34 0.00 0.00 178.44 180.31 3kqz s THR 488 N -1.99 0.94 0.52 1.05 -4.23 -1.26 -4.95 115.64 105.71 3kqz s THR 488 Ca -0.13 -0.36 0.29 0.00 -1.18 0.00 0.00 61.69 60.32 3kqz s THR 488 Cb -0.01 -0.89 0.33 0.00 1.34 0.00 0.00 72.50 73.28 3kqz s THR 488 CO 0.40 0.31 2.18 1.23 -0.54 0.00 0.00 174.62 178.20 3kqz h GLY 489 N 7.11 0.00 -0.05 3.99 0.00 -1.93 -1.84 103.07 110.35 3kqz h GLY 489 Ca -0.33 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.30 3kqz h GLY 489 CO 0.47 0.00 0.74 0.00 0.00 0.00 0.00 176.54 177.75 3kqz h ALA 490 N 1.95 2.97 -1.00 3.60 0.00 -1.95 -0.81 119.26 124.02 3kqz h ALA 490 Ca -0.00 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.09 3kqz h ALA 490 Cb 0.14 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 3kqz h ALA 490 CO 0.01 -1.26 0.62 0.52 0.00 0.00 0.00 179.25 179.14 3kqz h MET 491 N 0.00 0.60 -0.10 0.00 2.86 -1.73 0.38 114.93 116.95 3kqz h MET 491 Ca 0.49 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 58.12 3kqz h MET 491 Cb 1.95 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.47 3kqz h MET 491 CO -0.01 0.40 0.13 -0.07 1.06 0.00 0.00 176.91 178.42 3kqz h LEU 492 N 0.62 0.00 0.00 1.22 3.38 -1.35 0.79 115.31 119.96 3kqz h LEU 492 Ca 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.49 3kqz h LEU 492 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3kqz h LEU 492 CO -0.34 0.00 -1.41 -1.22 0.09 0.00 0.00 178.44 175.56 3kqz n TYR 493 N -3.71 0.68 -0.11 1.13 4.02 0.13 -3.62 117.16 115.68 3kqz n TYR 493 Ca -0.00 0.21 -0.19 0.00 -0.01 0.00 0.00 57.90 57.90 3kqz n TYR 493 Cb 0.23 -0.88 -0.08 0.00 -0.02 0.00 0.00 39.34 38.60 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 -2.62 1.90 -0.00 7.72 3.41 -0.80 -4.81 113.62 118.41 3kqz n SER 494 Ca -0.05 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3kqz n SER 494 Cb 0.65 -0.86 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 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 -4.41 0.00 0.00 1.04 4.77 0.14 -5.10 117.00 113.44 3kqz n LEU 495 Ca -0.32 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3kqz n LEU 495 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3kqz n LEU 495 CO 0.13 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3kqz n GLY 496 N 2.49 0.19 0.00 -0.72 0.00 -0.43 -4.31 105.19 102.40 3kqz n GLY 496 Ca -0.00 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 0.01 -0.09 2.61 -2.24 -1.26 -4.19 114.28 109.11 3kqz n THR 497 Ca 0.00 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 3kqz n THR 497 Cb 0.00 0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 3kqz n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqz n SER 498 N -1.55 1.98 -4.44 3.42 7.64 -1.26 -4.24 113.62 115.17 3kqz n SER 498 Ca 0.04 0.22 -0.33 0.00 1.01 0.00 0.00 58.87 59.81 3kqz n SER 498 Cb 0.34 -0.78 -0.13 0.00 -1.01 0.00 0.00 64.21 62.63 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqz s TYR 499 N -2.49 2.84 0.60 1.43 4.12 -1.26 -4.55 117.35 118.04 3kqz s TYR 499 Ca -0.31 -0.42 -0.09 0.00 0.02 0.00 0.00 57.07 56.28 3kqz s TYR 499 Cb 0.09 -1.80 -0.02 0.00 -1.52 0.00 0.00 41.96 38.71 3kqz s TYR 499 CO 0.62 -0.04 0.96 0.00 0.02 0.00 0.00 175.55 177.10 3kqz s ALA 500 N 0.01 3.17 -0.06 3.71 0.00 -0.51 -4.60 121.76 123.48 3kqz s ALA 500 Ca -0.03 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.58 3kqz s ALA 500 Cb -0.14 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 3kqz s ALA 500 CO 0.04 -0.73 -0.05 0.20 0.00 0.00 0.00 175.76 175.22 3kqz s GLY 501 N -4.23 1.74 -0.05 0.00 0.00 -1.10 0.61 107.32 104.29 3kqz s GLY 501 Ca 0.54 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 44.43 3kqz s GLY 501 CO 0.50 -0.67 -0.25 0.54 0.00 0.00 0.00 173.10 173.21 3kqz s VAL 502 N -0.85 2.07 0.22 1.40 0.11 -0.15 0.21 120.40 123.41 3kqz s VAL 502 Ca 0.13 -1.07 0.05 0.00 -2.93 0.00 0.00 61.98 58.16 3kqz s VAL 502 Cb -0.11 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 3kqz s VAL 502 CO 0.02 0.57 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.96 3kqz s PHE 503 N -0.23 1.57 -0.46 1.54 0.08 -0.15 -0.80 117.98 119.53 3kqz s PHE 503 Ca -0.02 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.21 3kqz s PHE 503 Cb -0.13 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 3kqz s PHE 503 CO 0.03 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 175.63 3kqz n GLY 504 N -0.39 -1.25 0.63 4.36 0.00 -1.26 -0.35 105.19 106.93 3kqz n GLY 504 Ca -0.07 -0.99 0.06 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 0.28 2.88 -3.66 1.61 0.23 0.06 -4.81 115.26 111.84 3kqz n ASN 505 Ca 0.00 -1.97 -0.13 0.00 -0.53 0.00 0.00 54.58 51.95 3kqz n ASN 505 Cb 0.00 -0.22 -0.13 0.00 -2.08 0.00 0.00 39.78 37.35 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 0.25 0.23 0.53 3.84 -1.26 -4.87 114.94 112.65 3kqz s ASN 506 Ca 0.23 0.65 -0.05 0.00 0.21 0.00 0.00 52.86 53.90 3kqz s ASN 506 Cb 0.12 0.79 0.22 0.00 -0.55 0.00 0.00 41.25 41.83 3kqz s ASN 506 CO 0.16 -0.24 1.71 -0.08 -2.79 0.00 0.00 177.10 175.86 3kqz h GLU 507 N 8.24 0.91 -0.45 0.43 4.81 -1.96 -1.55 114.58 125.01 3kqz h GLU 507 Ca -0.15 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 3kqz h GLU 507 Cb 1.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3kqz h GLU 507 CO 0.14 0.91 0.16 0.93 -0.73 0.00 0.00 179.01 180.41 3kqz h GLU 508 N 0.84 0.69 -0.26 1.92 3.07 -1.98 0.41 114.58 119.27 3kqz h GLU 508 Ca 0.16 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3kqz h GLU 508 Cb 0.51 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3kqz h GLU 508 CO 0.03 0.65 0.12 1.25 -1.40 0.00 0.00 179.01 179.65 3kqz h LEU 509 N 0.59 0.35 -0.75 1.33 5.85 -1.91 0.66 115.31 121.43 3kqz h LEU 509 Ca 0.15 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kqz h LEU 509 Cb 0.24 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3kqz h LEU 509 CO -0.01 0.39 0.47 0.40 -0.34 0.00 0.00 178.44 179.35 3kqz h ILE 510 N 0.28 1.09 -0.13 4.05 2.04 -1.08 -0.35 117.51 123.42 3kqz h ILE 510 Ca 0.09 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3kqz h ILE 510 Cb 0.14 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3kqz h ILE 510 CO -0.01 0.16 -0.22 0.78 0.00 0.00 0.00 178.15 178.87 3kqz h ASN 511 N 0.90 0.21 -0.36 1.72 2.35 -0.47 0.30 115.58 120.22 3kqz h ASN 511 Ca 0.31 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3kqz h ASN 511 Cb 0.05 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3kqz h ASN 511 CO -0.12 0.44 -0.18 0.11 -1.65 0.00 0.00 177.43 176.02 3kqz h LYS 512 N 0.20 0.84 -0.45 0.81 1.57 0.23 0.64 116.57 120.40 3kqz h LYS 512 Ca 0.03 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3kqz h LYS 512 Cb 0.50 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3kqz h LYS 512 CO 0.03 0.95 0.11 0.82 -0.57 0.00 0.00 179.45 180.79 3kqz h ILE 513 N 0.74 1.24 0.00 1.86 1.08 -0.33 -0.29 117.51 121.81 3kqz h ILE 513 Ca 0.11 -0.83 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 3kqz h ILE 513 Cb 0.70 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 3kqz h ILE 513 CO 0.05 0.29 -0.13 -0.07 -0.69 0.00 0.00 178.15 177.61 3kqz h LEU 514 N 0.60 0.00 -0.10 1.44 3.38 -0.86 0.27 115.31 120.05 3kqz h LEU 514 Ca 0.14 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 3kqz h LEU 514 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kqz h LEU 514 CO 0.00 0.13 -1.02 -0.61 0.09 0.00 0.00 178.44 177.03 3kqz h GLN 515 N 0.00 0.32 0.00 1.13 5.75 -0.28 -2.70 115.11 119.33 3kqz h GLN 515 Ca -0.00 -0.40 -0.20 0.00 -0.15 0.00 0.00 58.65 57.90 3kqz h GLN 515 Cb 0.51 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 3kqz h GLN 515 CO 0.02 1.11 -1.11 0.77 -2.65 0.00 0.00 178.83 176.97 3kqz h SER 516 N 0.15 0.00 -0.66 -0.69 0.02 -0.55 -2.80 113.55 109.01 3kqz h SER 516 Ca -0.09 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3kqz h SER 516 Cb 1.69 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.16 3kqz h SER 516 CO 0.17 0.87 0.33 -1.28 -1.14 0.00 0.00 176.83 175.77 3kqz h SER 517 N 0.00 0.43 0.03 3.07 0.87 -0.53 0.97 113.55 118.39 3kqz h SER 517 Ca -0.09 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 3kqz h SER 517 Cb 1.74 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.67 3kqz h SER 517 CO 0.10 0.26 -0.56 0.50 -0.53 0.00 0.00 176.83 176.60 3kqz h LYS 518 N 0.57 0.56 0.00 2.24 3.64 -1.43 -2.28 116.57 119.87 3kqz h LYS 518 Ca 0.32 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3kqz h LYS 518 Cb 0.31 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3kqz h LYS 518 CO -0.25 0.96 -0.98 1.79 -2.27 0.00 0.00 179.45 178.71 3kqz h THR 519 N 0.43 0.21 0.00 1.00 1.35 -1.32 -3.22 112.91 111.35 3kqz h THR 519 Ca 0.01 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3kqz h THR 519 Cb 1.10 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3kqz h THR 519 CO 0.10 0.12 -0.39 -1.54 -0.25 0.00 0.00 175.52 173.56 3kqz n SER 520 N -2.83 0.57 -2.18 5.36 3.41 0.32 -4.89 113.62 113.39 3kqz n SER 520 Ca -0.02 0.17 -0.19 0.00 -0.26 0.00 0.00 58.87 58.57 3kqz n SER 520 Cb 0.65 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3kqz n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqz n ASN 521 N -1.90 -5.35 -4.26 4.04 3.02 -0.88 -4.84 115.26 105.08 3kqz n ASN 521 Ca 0.05 0.15 -0.44 0.00 -0.03 0.00 0.00 54.58 54.31 3kqz n ASN 521 Cb 0.40 -4.54 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 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 -4.66 2.77 0.11 3.52 2.02 -1.07 -4.95 118.70 116.44 3kqz s GLU 522 Ca 0.00 -1.78 -0.31 0.00 0.02 0.00 0.00 54.97 52.90 3kqz s GLU 522 Cb 0.00 -4.12 -0.09 0.00 0.10 0.00 0.00 34.13 30.01 3kqz s GLU 522 CO 0.00 -1.26 1.64 -1.25 0.02 0.00 0.00 175.26 174.41 3kqz s PRO 523 N 1.41 4.20 0.08 0.39 0.04 -1.26 -4.55 135.00 135.31 3kqz s PRO 523 Ca 0.05 2.37 0.07 0.00 0.04 0.00 0.00 61.00 63.54 3kqz s PRO 523 Cb -0.27 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 3kqz s PRO 523 CO 0.01 -0.70 -0.19 0.08 0.04 0.00 0.00 177.00 176.23 3kqz s VAL 524 N 2.12 1.58 0.02 -0.36 1.01 -1.26 -1.42 120.40 122.09 3kqz s VAL 524 Ca 0.73 -1.38 0.07 0.00 0.00 0.00 0.00 61.98 61.40 3kqz s VAL 524 Cb -0.42 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3kqz s VAL 524 CO 0.32 -0.00 -0.20 0.86 0.00 0.00 0.00 175.10 176.08 3kqz s TRP 525 N -1.05 1.78 -0.10 5.22 -0.11 0.20 -4.86 118.94 120.02 3kqz s TRP 525 Ca 0.05 -0.36 -0.30 0.00 1.22 0.00 0.00 56.10 56.72 3kqz s TRP 525 Cb -0.09 -1.09 -0.01 0.00 -1.50 0.00 0.00 33.47 30.77 3kqz s TRP 525 CO 0.03 0.04 1.00 -0.46 -4.62 0.00 0.00 176.95 172.95 3kqz s TRP 526 N -0.67 3.53 0.17 5.86 -0.00 -1.26 -0.98 118.94 125.58 3kqz s TRP 526 Ca 0.07 1.60 0.10 0.00 -0.00 0.00 0.00 56.10 57.88 3kqz s TRP 526 Cb -0.08 -3.18 -0.04 0.00 -0.00 0.00 0.00 33.47 30.16 3kqz s TRP 526 CO 0.01 -0.21 -0.22 -0.51 -0.00 0.00 0.00 176.95 176.02 3kqz s LEU 527 N 1.93 2.40 0.14 5.86 1.43 0.02 -4.90 118.68 125.56 3kqz s LEU 527 Ca 0.49 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 3kqz s LEU 527 Cb -0.18 -1.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.93 3kqz s LEU 527 CO 0.19 0.07 0.49 -2.16 0.23 0.00 0.00 176.35 175.17 3kqz s PRO 528 N -2.54 3.85 -0.59 1.29 0.04 -1.26 -4.36 135.00 131.44 3kqz s PRO 528 Ca 0.17 0.31 -0.21 0.00 0.04 0.00 0.00 61.00 61.31 3kqz s PRO 528 Cb -0.08 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.65 3kqz s PRO 528 CO 0.08 0.47 0.80 0.42 0.04 0.00 0.00 177.00 178.80 3kqz s ILE 529 N -1.53 4.62 -0.67 0.56 1.01 -1.26 -4.83 121.20 119.10 3kqz s ILE 529 Ca 0.38 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 3kqz s ILE 529 Cb -0.14 -4.52 0.04 0.00 0.01 0.00 0.00 42.46 37.86 3kqz s ILE 529 CO 0.20 -1.16 1.16 -0.63 0.00 0.00 0.00 174.94 174.50 3kqz s ILE 530 N 3.26 3.98 0.55 2.92 1.01 -1.26 -4.88 121.20 126.78 3kqz s ILE 530 Ca 0.18 0.33 0.38 0.00 0.00 0.00 0.00 60.65 61.54 3kqz s ILE 530 Cb -0.19 -4.79 0.40 0.00 0.01 0.00 0.00 42.46 37.89 3kqz s ILE 530 CO 0.10 -1.59 2.26 0.78 0.00 0.00 0.00 174.94 176.49 3kqz h ASN 531 N 9.76 0.00 -0.18 3.58 2.35 -1.99 -1.95 115.58 127.15 3kqz h ASN 531 Ca -0.27 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.53 3kqz h ASN 531 Cb 1.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 3kqz h ASN 531 CO 1.22 0.02 0.19 -0.08 -1.65 0.00 0.00 177.43 177.13 3kqz h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.04 -0.80 114.58 117.36 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 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3kqz h GLU 532 CO 0.00 0.00 -0.21 0.66 -0.73 0.00 0.00 179.01 178.73 3kqz n TYR 533 N -3.87 0.00 -0.10 0.92 0.53 -0.73 -4.13 117.16 109.79 3kqz n TYR 533 Ca 0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 57.90 56.83 3kqz n TYR 533 Cb 0.31 -0.33 0.00 0.00 -1.03 0.00 0.00 39.34 38.30 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 0.16 -0.12 -1.05 -0.72 9.65 -1.31 -1.47 114.38 119.52 3kqz h ARG 534 Ca 0.00 0.01 0.30 0.00 -1.10 0.00 0.00 59.98 59.19 3kqz h ARG 534 Cb 0.46 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 3kqz h ARG 534 CO 0.00 -0.08 0.89 0.00 2.80 0.00 0.00 179.97 183.58 3kqz h ALA 535 N 1.12 2.93 0.00 2.80 0.00 -1.77 0.16 119.26 124.49 3kqz h ALA 535 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kqz h ALA 535 Cb 0.40 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kqz h ALA 535 CO -0.43 -1.43 0.00 0.25 0.00 0.00 0.00 179.25 177.64 3kqz n THR 536 N -3.84 0.22 0.37 0.00 -2.24 -0.55 -1.42 114.28 106.82 3kqz n THR 536 Ca 0.23 0.05 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 3kqz n THR 536 Cb 1.23 -0.63 0.26 0.00 -2.10 0.00 0.00 70.33 69.09 3kqz n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqz n LEU 537 N -1.35 3.17 -4.67 3.22 4.77 0.55 -4.29 117.00 118.41 3kqz n LEU 537 Ca 0.10 -1.42 -0.43 0.00 -0.03 0.00 0.00 56.01 54.24 3kqz n LEU 537 Cb 0.23 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3kqz n LEU 537 CO 0.20 0.71 1.11 0.20 -1.33 0.00 0.00 177.39 178.28 3kqz s ASN 538 N -1.38 6.90 0.03 -1.43 0.01 -0.51 0.00 114.94 118.57 3kqz s ASN 538 Ca 0.39 1.89 -0.06 0.00 -0.71 0.00 0.00 52.86 54.37 3kqz s ASN 538 Cb 0.22 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 3kqz s ASN 538 CO 0.30 -0.74 0.28 -0.55 -1.51 0.00 0.00 177.10 174.88 3kqz s SER 539 N 2.07 6.49 0.18 -1.22 0.15 -1.26 -4.72 113.70 115.39 3kqz s SER 539 Ca 0.60 0.55 -0.08 0.00 0.70 0.00 0.00 55.95 57.71 3kqz s SER 539 Cb -0.26 -2.08 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 3kqz s SER 539 CO 0.21 0.22 1.61 0.50 1.20 0.00 0.00 173.24 176.98 3kqz h LYS 540 N 3.78 0.99 0.00 5.44 1.63 -1.97 -3.38 116.57 123.06 3kqz h LYS 540 Ca -0.49 -0.37 -0.29 0.00 -0.85 0.00 0.00 60.65 58.64 3kqz h LYS 540 Cb 1.19 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.70 3kqz h LYS 540 CO 0.68 1.05 -2.11 0.66 -3.45 0.00 0.00 179.45 176.28 3kqz n TYR 541 N -4.14 0.00 -3.35 1.91 4.01 -1.26 -5.03 117.16 109.30 3kqz n TYR 541 Ca 0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.54 3kqz n TYR 541 Cb 0.41 -0.78 0.02 0.00 -0.31 0.00 0.00 39.34 38.68 3kqz n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ALA 542 N -2.39 4.53 0.32 -0.72 0.00 -1.26 -5.00 121.76 117.25 3kqz s ALA 542 Ca -0.13 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.05 3kqz s ALA 542 Cb 0.05 -1.21 0.56 0.00 0.00 0.00 0.00 23.12 22.52 3kqz s ALA 542 CO 0.60 -0.60 1.86 -0.44 0.00 0.00 0.00 175.76 177.18 3kqz h ASP 543 N 0.50 0.54 -4.95 0.00 3.32 -1.61 -3.38 116.42 110.84 3kqz h ASP 543 Ca -0.34 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 3kqz h ASP 543 Cb 1.29 -0.14 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 3kqz h ASP 543 CO 0.48 0.61 -0.12 -0.51 -1.72 0.00 0.00 179.24 177.98 3kqz s ILE 544 N -5.00 0.04 0.25 0.35 2.07 -0.48 -4.42 121.20 114.02 3kqz s ILE 544 Ca -0.08 -0.30 -0.23 0.00 -1.41 0.00 0.00 60.65 58.63 3kqz s ILE 544 Cb 0.15 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.92 3kqz s ILE 544 CO 0.77 -0.17 0.81 0.20 -1.91 0.00 0.00 174.94 174.65 3kqz s ASN 545 N -1.23 7.20 0.21 4.50 0.01 0.10 -0.63 114.94 125.10 3kqz s ASN 545 Ca -0.12 1.60 -0.05 0.00 -0.71 0.00 0.00 52.86 53.57 3kqz s ASN 545 Cb -0.03 -2.49 0.16 0.00 0.41 0.00 0.00 41.25 39.30 3kqz s ASN 545 CO 0.06 0.02 1.62 -0.61 -1.51 0.00 0.00 177.10 176.68 3kqz h GLN 546 N 3.45 0.81 -5.12 -0.60 4.15 -1.59 -3.46 115.11 112.75 3kqz h GLN 546 Ca -0.47 -0.33 -0.34 0.00 0.77 0.00 0.00 58.65 58.27 3kqz h GLN 546 Cb 1.19 -0.04 -0.16 0.00 0.21 0.00 0.00 27.48 28.69 3kqz h GLN 546 CO 0.65 0.95 -0.73 0.96 -1.93 0.00 0.00 178.83 178.74 3kqz s ILE 547 N -4.61 1.16 0.02 2.39 -4.36 -1.26 -4.88 121.20 109.66 3kqz s ILE 547 Ca -0.10 -1.90 -0.26 0.00 -0.26 0.00 0.00 60.65 58.13 3kqz s ILE 547 Cb 0.13 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 3kqz s ILE 547 CO 0.84 -0.64 0.80 -0.55 0.24 0.00 0.00 174.94 175.63 3kqz s SER 548 N -2.87 7.22 0.16 4.36 0.15 -1.26 -4.72 113.70 116.73 3kqz s SER 548 Ca 0.13 1.46 0.24 0.00 0.70 0.00 0.00 55.95 58.48 3kqz s SER 548 Cb -0.00 -2.48 0.32 0.00 -1.71 0.00 0.00 66.02 62.15 3kqz s SER 548 CO 0.01 -0.06 1.32 0.77 1.20 0.00 0.00 173.24 176.49 3kqz h SER 549 N 6.02 0.00 0.00 5.45 4.64 -2.00 -3.42 113.55 124.23 3kqz h SER 549 Ca -0.43 -0.15 -0.40 0.00 -0.47 0.00 0.00 61.79 60.34 3kqz h SER 549 Cb 1.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 3kqz h SER 549 CO 0.72 0.07 -2.35 -1.54 -0.87 0.00 0.00 176.83 172.87 3kqz n SER 550 N -2.27 1.83 -4.68 4.97 3.41 -1.26 -4.99 113.62 110.62 3kqz n SER 550 Ca 0.03 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.43 3kqz n SER 550 Cb 0.46 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 3kqz n SER 550 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqz s VAL 551 N -2.45 3.49 -1.15 -3.33 1.01 -1.26 -4.92 120.40 111.78 3kqz s VAL 551 Ca -0.33 0.82 0.28 0.00 0.00 0.00 0.00 61.98 62.75 3kqz s VAL 551 Cb 0.12 -3.53 0.22 0.00 0.00 0.00 0.00 36.38 33.19 3kqz s VAL 551 CO 0.45 -0.02 1.75 0.29 0.00 0.00 0.00 175.10 177.56 3kqz n LYS 552 N 5.92 0.16 -2.03 2.72 4.76 -1.26 -4.62 118.16 123.82 3kqz n LYS 552 Ca 0.15 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 3kqz n LYS 552 Cb 0.42 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.11 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kqz n ALA 553 N -1.37 4.67 0.25 7.82 0.00 -1.26 -4.73 120.51 125.87 3kqz n ALA 553 Ca 0.08 -3.83 0.13 0.00 0.00 0.00 0.00 53.44 49.82 3kqz n ALA 553 Cb 0.32 -3.57 0.23 0.00 0.00 0.00 0.00 19.45 16.43 3kqz n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqz h SER 554 N 6.71 0.00 0.30 0.00 4.64 -1.97 -1.51 113.55 121.71 3kqz h SER 554 Ca 0.51 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.74 3kqz h SER 554 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3kqz h SER 554 CO 1.72 0.00 -0.40 0.28 -0.87 0.00 0.00 176.83 177.56 3kqz h SER 555 N 0.00 0.16 -0.00 4.97 0.02 -1.93 -0.52 113.55 116.24 3kqz h SER 555 Ca 0.00 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 3kqz h SER 555 Cb 0.94 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.45 3kqz h SER 555 CO 0.00 0.55 -0.54 0.40 -1.14 0.00 0.00 176.83 176.10 3kqz h ILE 556 N 0.13 1.45 -0.21 3.27 2.04 -1.68 -2.69 117.51 119.81 3kqz h ILE 556 Ca 0.01 -2.06 -0.00 0.00 1.00 0.00 0.00 64.86 63.81 3kqz h ILE 556 Cb 0.78 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 3kqz h ILE 556 CO 0.06 0.59 0.12 0.58 0.00 0.00 0.00 178.15 179.50 3kqz h VAL 557 N -0.18 1.11 -0.27 1.67 2.07 -1.24 0.71 116.25 120.10 3kqz h VAL 557 Ca -0.07 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3kqz h VAL 557 Cb 1.26 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3kqz h VAL 557 CO 0.11 0.10 0.18 0.00 0.02 0.00 0.00 177.57 177.98 3kqz h ALA 558 N 1.01 1.94 -0.24 1.67 0.00 -1.14 0.11 119.26 122.60 3kqz h ALA 558 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3kqz h ALA 558 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kqz h ALA 558 CO -0.01 0.03 -0.34 0.77 0.00 0.00 0.00 179.25 179.70 3kqz h SER 559 N 0.26 0.52 -0.59 0.00 0.02 -0.85 -1.84 113.55 111.06 3kqz h SER 559 Ca 0.11 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3kqz h SER 559 Cb 0.13 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3kqz h SER 559 CO -0.02 0.82 0.11 -0.07 -1.14 0.00 0.00 176.83 176.53 3kqz h LEU 560 N 0.43 0.93 0.03 5.07 3.38 0.14 0.24 115.31 125.53 3kqz h LEU 560 Ca 0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3kqz h LEU 560 Cb 0.80 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kqz h LEU 560 CO 0.06 0.95 -0.01 0.15 0.09 0.00 0.00 178.44 179.68 3kqz h PHE 561 N 0.88 -0.04 -0.54 1.13 3.04 -1.03 -2.76 116.94 117.63 3kqz h PHE 561 Ca 0.18 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 3kqz h PHE 561 Cb 0.40 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 3kqz h PHE 561 CO 0.03 0.13 0.24 -0.07 -2.02 0.00 0.00 178.31 176.62 3kqz h LEU 562 N -0.19 0.69 -1.83 0.59 3.38 -0.98 -1.05 115.31 115.91 3kqz h LEU 562 Ca -0.00 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.01 3kqz h LEU 562 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kqz h LEU 562 CO 0.01 0.60 0.36 0.50 0.09 0.00 0.00 178.44 179.99 3kqz h LYS 563 N 0.76 0.18 0.00 1.13 3.64 -0.66 0.88 116.57 122.51 3kqz h LYS 563 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3kqz h LYS 563 Cb 0.11 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3kqz h LYS 563 CO -0.02 0.12 0.00 0.93 -2.27 0.00 0.00 179.45 178.21 3kqz h GLU 564 N 0.19 0.00 -0.27 1.90 4.39 -1.07 -2.74 114.58 116.98 3kqz h GLU 564 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3kqz h GLU 564 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3kqz h GLU 564 CO -0.04 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.00 3kqz n PHE 565 N -2.41 0.34 -4.06 4.33 3.01 0.30 -4.77 117.46 114.20 3kqz n PHE 565 Ca -0.01 -0.22 -0.33 0.00 1.01 0.00 0.00 57.45 57.91 3kqz n PHE 565 Cb 0.09 -0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.40 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 -1.31 2.24 0.07 -4.37 1.01 -1.03 -4.12 120.40 112.89 3kqz s VAL 566 Ca 0.29 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 3kqz s VAL 566 Cb 0.18 -2.22 -0.29 0.00 0.00 0.00 0.00 36.38 34.05 3kqz s VAL 566 CO 0.25 0.12 1.13 1.56 0.00 0.00 0.00 175.10 178.15 3kqz h GLN 567 N 7.84 0.30 0.00 2.72 7.50 -1.86 -3.44 115.11 128.17 3kqz h GLN 567 Ca -0.26 -0.50 -0.08 0.00 0.50 0.00 0.00 58.65 58.30 3kqz h GLN 567 Cb 1.07 0.19 -0.08 0.00 0.05 0.00 0.00 27.48 28.71 3kqz h GLN 567 CO 0.51 1.24 -0.17 -1.71 -1.50 0.00 0.00 178.83 177.20 3kqz n ASN 568 N -3.55 -0.60 -4.00 1.46 2.85 -1.26 -5.11 115.26 105.05 3kqz n ASN 568 Ca -0.09 -1.20 -0.17 0.00 -0.11 0.00 0.00 54.58 53.01 3kqz n ASN 568 Cb 1.03 0.18 -0.14 0.00 1.24 0.00 0.00 39.78 42.08 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3kqz s THR 569 N 0.00 0.58 0.15 -0.44 2.01 -1.26 -5.11 115.64 111.57 3kqz s THR 569 Ca 0.00 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.29 3kqz s THR 569 Cb 0.00 -0.50 -0.11 0.00 0.01 0.00 0.00 72.50 71.90 3kqz s THR 569 CO 0.00 0.10 1.76 0.00 -0.69 0.00 0.00 174.62 175.79 3kqz s ALA 570 N -0.30 3.81 -0.08 7.40 0.00 -1.25 -4.89 121.76 126.45 3kqz s ALA 570 Ca 0.02 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.37 3kqz s ALA 570 Cb -0.04 -3.72 0.03 0.00 0.00 0.00 0.00 23.12 19.39 3kqz s ALA 570 CO -0.00 -1.08 0.22 -0.46 0.00 0.00 0.00 175.76 174.43 3kqz s TRP 571 N 2.11 -0.25 0.09 0.00 -0.00 -1.26 -1.06 118.94 118.58 3kqz s TRP 571 Ca 0.77 0.61 0.02 0.00 -0.00 0.00 0.00 56.10 57.50 3kqz s TRP 571 Cb -0.46 0.07 -0.04 0.00 -0.00 0.00 0.00 33.47 33.03 3kqz s TRP 571 CO 0.34 -0.14 -0.07 0.00 -0.00 0.00 0.00 176.95 177.08 3kqz s ALA 572 N 0.39 0.96 -0.06 5.86 0.00 -0.35 -0.76 121.76 127.80 3kqz s ALA 572 Ca -0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 3kqz s ALA 572 Cb -0.04 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3kqz s ALA 572 CO -0.02 -0.20 0.02 -1.58 0.00 0.00 0.00 175.76 173.98 3kqz s HIS 573 N -3.36 0.44 -0.24 0.00 2.46 0.53 -0.79 115.29 114.32 3kqz s HIS 573 Ca 0.10 -0.01 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 3kqz s HIS 573 Cb 0.03 -0.66 -0.02 0.00 -0.13 0.00 0.00 32.58 31.81 3kqz s HIS 573 CO -0.04 -0.26 0.02 0.42 -2.47 0.00 0.00 174.74 172.41 3kqz s ILE 574 N 1.93 3.89 -0.49 0.89 1.01 -0.10 -0.98 121.20 127.35 3kqz s ILE 574 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 3kqz s ILE 574 Cb -0.12 -2.82 0.07 0.00 0.01 0.00 0.00 42.46 39.60 3kqz s ILE 574 CO -0.04 0.35 0.49 -0.62 0.00 0.00 0.00 174.94 175.11 3kqz s ASP 575 N 1.55 6.18 -0.25 3.58 -1.08 0.13 -1.92 116.67 124.86 3kqz s ASP 575 Ca 0.06 -1.20 0.14 0.00 -0.52 0.00 0.00 52.55 51.02 3kqz s ASP 575 Cb -0.15 -2.22 0.75 0.00 -1.46 0.00 0.00 42.92 39.83 3kqz s ASP 575 CO 0.01 -0.75 1.70 2.30 0.52 0.00 0.00 175.17 178.94 3kqz n ILE 576 N 5.35 2.72 -0.14 4.11 -5.35 -0.27 -2.72 119.36 123.07 3kqz n ILE 576 Ca -0.10 -1.58 0.08 0.00 -0.27 0.00 0.00 62.75 60.87 3kqz n ILE 576 Cb 0.44 -0.29 0.40 0.00 -1.74 0.00 0.00 39.64 38.45 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 3.25 1.79 0.01 -1.28 0.00 -1.81 -1.94 119.26 119.27 3kqz h ALA 577 Ca 0.06 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 3kqz h ALA 577 Cb 1.95 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 3kqz h ALA 577 CO 0.49 0.10 -1.28 0.78 0.00 0.00 0.00 179.25 179.34 3kqz h GLY 578 N 0.64 0.01 0.00 0.00 0.00 -1.81 -3.38 103.07 98.53 3kqz h GLY 578 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3kqz h GLY 578 CO -0.09 0.03 -1.01 3.33 0.00 0.00 0.00 176.54 178.80 3kqz n VAL 579 N -3.25 0.00 -0.15 4.60 0.24 -0.98 -4.20 118.33 114.59 3kqz n VAL 579 Ca -0.07 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 62.03 3kqz n VAL 579 Cb 0.99 0.87 0.05 0.00 -1.47 0.00 0.00 33.84 34.28 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 0.94 -3.26 -1.34 0.87 -1.55 -3.43 113.55 105.78 3kqz h SER 580 Ca 0.00 -0.31 -0.62 0.00 -1.23 0.00 0.00 61.79 59.64 3kqz h SER 580 Cb 0.50 -0.26 -0.15 0.00 -0.44 0.00 0.00 62.40 62.05 3kqz h SER 580 CO 0.00 1.07 -0.55 0.86 -0.53 0.00 0.00 176.83 177.68 3kqz s TRP 581 N -4.82 3.29 -0.58 2.24 -0.11 -1.26 -1.06 118.94 116.64 3kqz s TRP 581 Ca -0.11 0.14 -0.23 0.00 1.22 0.00 0.00 56.10 57.12 3kqz s TRP 581 Cb 0.13 -2.08 0.05 0.00 -1.50 0.00 0.00 33.47 30.07 3kqz s TRP 581 CO 0.85 0.21 0.93 1.21 -4.62 0.00 0.00 176.95 175.53 3kqz s ASN 582 N 0.28 6.28 0.21 5.86 3.84 0.39 -4.87 114.94 126.94 3kqz s ASN 582 Ca 0.05 -0.58 -0.04 0.00 0.21 0.00 0.00 52.86 52.50 3kqz s ASN 582 Cb -0.12 -2.42 0.19 0.00 -0.55 0.00 0.00 41.25 38.35 3kqz s ASN 582 CO -0.00 -1.27 1.61 -0.26 -2.79 0.00 0.00 177.10 174.39 3kqz h PHE 583 N 9.37 0.82 -0.31 0.43 -1.00 -1.96 0.31 116.94 124.61 3kqz h PHE 583 Ca -0.27 -0.20 -0.07 0.00 2.81 0.00 0.00 57.97 60.23 3kqz h PHE 583 Cb 1.07 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 3kqz h PHE 583 CO 0.92 0.92 -0.10 0.87 -1.61 0.00 0.00 178.31 179.31 3kqz h LYS 584 N 0.61 0.61 -0.01 1.51 6.56 -1.95 -2.98 116.57 120.93 3kqz h LYS 584 Ca 0.08 -0.24 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 3kqz h LYS 584 Cb 0.79 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.42 3kqz h LYS 584 CO 0.07 0.81 -0.31 0.00 -2.06 0.00 0.00 179.45 177.96 3kqz n ALA 585 N -2.42 3.18 -3.56 3.86 0.00 -1.23 -4.98 120.51 115.37 3kqz n ALA 585 Ca -0.03 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 3kqz n ALA 585 Cb 0.34 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.69 -7.17 -3.96 0.00 1.74 0.11 -4.98 116.66 101.70 3kqz n ARG 586 Ca 0.11 0.81 -0.08 0.00 -0.77 0.00 0.00 57.85 57.92 3kqz n ARG 586 Cb 0.36 -5.82 -0.04 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 -5.95 1.61 0.61 5.56 -2.85 -0.99 -5.01 119.74 112.73 3kqz s LYS 587 Ca 0.33 -1.18 -0.16 0.00 -1.00 0.00 0.00 55.97 53.97 3kqz s LYS 587 Cb -0.15 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 3kqz s LYS 587 CO 0.74 -0.69 1.09 -2.14 0.10 0.00 0.00 175.35 174.45 3kqz s PRO 588 N -3.99 3.11 0.25 1.78 0.02 -1.26 -0.46 135.00 134.45 3kqz s PRO 588 Ca 0.19 1.34 0.23 0.00 0.02 0.00 0.00 61.00 62.78 3kqz s PRO 588 Cb -0.02 -1.99 0.21 0.00 0.02 0.00 0.00 34.50 32.71 3kqz s PRO 588 CO 0.08 -1.00 1.30 0.87 -0.33 0.00 0.00 177.00 177.92 3kqz h LYS 589 N 0.38 0.00 -2.18 5.54 1.57 -1.37 -3.43 116.57 117.08 3kqz h LYS 589 Ca -0.47 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.02 3kqz h LYS 589 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3kqz h LYS 589 CO 0.56 0.00 -0.37 0.41 -0.57 0.00 0.00 179.45 179.47 3kqz n GLY 590 N 1.20 -0.21 3.73 3.86 0.00 -1.26 -4.93 105.19 107.58 3kqz n GLY 590 Ca 0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.75 3.03 0.00 1.61 5.36 -1.26 -3.53 117.98 120.45 3kqz s PHE 591 Ca 0.02 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 3kqz s PHE 591 Cb -0.01 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 3kqz s PHE 591 CO 0.03 -3.09 0.00 0.41 -1.46 0.00 0.00 175.22 171.11 3kqz n GLY 592 N 2.99 2.03 0.08 13.12 0.00 -1.26 -4.71 105.19 117.45 3kqz n GLY 592 Ca 0.10 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.89 -0.23 1.61 2.07 -1.75 1.20 116.25 120.04 3kqz h VAL 593 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3kqz h VAL 593 Cb 0.00 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kqz h VAL 593 CO 0.00 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 177.61 3kqz h ARG 594 N -0.07 0.42 0.02 1.57 3.08 -1.91 0.18 114.38 117.67 3kqz h ARG 594 Ca 0.02 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3kqz h ARG 594 Cb 0.10 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3kqz h ARG 594 CO -0.05 0.61 -0.34 1.25 -1.07 0.00 0.00 179.97 180.38 3kqz h LEU 595 N 0.17 -1.01 -1.36 3.04 5.85 -1.67 0.36 115.31 120.70 3kqz h LEU 595 Ca 0.06 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3kqz h LEU 595 Cb 0.44 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3kqz h LEU 595 CO 0.01 -0.40 0.45 -0.07 -0.34 0.00 0.00 178.44 178.10 3kqz h LEU 596 N -0.50 0.73 0.05 2.25 3.38 0.16 -0.07 115.31 121.31 3kqz h LEU 596 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kqz h LEU 596 Cb 0.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kqz h LEU 596 CO -0.27 0.50 -0.03 0.74 0.09 0.00 0.00 178.44 179.48 3kqz h THR 597 N 0.84 1.25 -0.74 0.22 2.02 0.18 -0.94 112.91 115.74 3kqz h THR 597 Ca 0.27 -1.08 0.11 0.00 0.77 0.00 0.00 66.41 66.49 3kqz h THR 597 Cb 0.04 1.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.31 3kqz h THR 597 CO -0.07 0.27 0.35 -0.33 0.37 0.00 0.00 175.52 176.11 3kqz h GLU 598 N -0.56 0.55 -0.33 6.66 4.39 -0.14 0.15 114.58 125.30 3kqz h GLU 598 Ca -0.01 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.73 3kqz h GLU 598 Cb 0.49 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 3kqz h GLU 598 CO 0.01 0.36 -0.15 0.35 -1.16 0.00 0.00 179.01 178.43 3kqz h PHE 599 N 0.57 -0.35 -0.54 4.33 3.57 -0.80 0.16 116.94 123.87 3kqz h PHE 599 Ca 0.38 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 3kqz h PHE 599 Cb 0.47 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3kqz h PHE 599 CO -0.12 -0.22 0.04 0.28 -2.23 0.00 0.00 178.31 176.06 3kqz h VAL 600 N -0.09 1.25 0.08 1.41 2.07 -0.27 -3.19 116.25 117.51 3kqz h VAL 600 Ca 0.17 -1.00 -0.23 0.00 0.82 0.00 0.00 66.70 66.46 3kqz h VAL 600 Cb 0.34 0.79 0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3kqz h VAL 600 CO -0.39 0.36 -0.94 -0.07 0.02 0.00 0.00 177.57 176.55 3kqz h LEU 601 N 0.83 0.69 0.00 2.57 4.07 -0.22 -3.35 115.31 119.89 3kqz h LEU 601 Ca 0.16 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.30 3kqz h LEU 601 Cb 0.43 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3kqz h LEU 601 CO 0.02 1.44 -0.43 0.59 -1.08 0.00 0.00 178.44 178.98 3kqz n ASN 602 N -4.00 0.51 0.00 -0.43 3.02 0.51 -5.02 115.26 109.84 3kqz n ASN 602 Ca -0.13 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3kqz n ASN 602 Cb 0.85 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 3kqz n ASN 602 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11