#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s SER 86 N 0.00 3.86 0.09 0.00 0.01 -1.26 -4.98 113.70 111.42 3kqz s SER 86 Ca 0.00 1.91 -0.27 0.00 1.31 0.00 0.00 55.95 58.90 3kqz s SER 86 Cb 0.00 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 3kqz s SER 86 CO 0.00 -2.46 0.84 -1.61 0.41 0.00 0.00 173.24 170.42 3kqz s GLU 87 N -4.82 4.59 -0.23 12.44 0.41 -1.26 -4.96 118.70 124.88 3kqz s GLU 87 Ca 0.63 1.23 -0.29 0.00 -0.41 0.00 0.00 54.97 56.13 3kqz s GLU 87 Cb -0.19 -3.35 0.01 0.00 -1.78 0.00 0.00 34.13 28.81 3kqz s GLU 87 CO 0.57 0.31 1.09 0.08 -0.49 0.00 0.00 175.26 176.82 3kqz s VAL 88 N -0.24 4.58 0.53 2.63 1.01 -1.26 -5.01 120.40 122.63 3kqz s VAL 88 Ca 0.41 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 64.09 3kqz s VAL 88 Cb -0.22 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.84 3kqz s VAL 88 CO 0.26 -0.20 1.08 -2.16 0.00 0.00 0.00 175.10 174.08 3kqz s PRO 89 N 3.32 3.53 0.09 2.72 0.04 -1.26 -4.97 135.00 138.47 3kqz s PRO 89 Ca 0.46 1.46 0.07 0.00 0.04 0.00 0.00 61.00 63.03 3kqz s PRO 89 Cb -0.16 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3kqz s PRO 89 CO 0.09 -0.68 -0.18 -0.65 0.04 0.00 0.00 177.00 175.62 3kqz s GLN 90 N -3.35 1.00 -0.16 4.56 -0.21 -1.26 -5.04 119.66 115.20 3kqz s GLN 90 Ca 0.69 -1.09 -0.19 0.00 0.02 0.00 0.00 55.36 54.79 3kqz s GLN 90 Cb -0.20 -1.14 -0.23 0.00 1.00 0.00 0.00 33.01 32.44 3kqz s GLN 90 CO 0.25 0.26 0.40 0.28 -2.12 0.00 0.00 175.29 174.36 3kqz h VAL 91 N 4.10 1.03 -2.97 1.09 2.07 -1.96 -3.47 116.25 116.13 3kqz h VAL 91 Ca -0.44 -2.28 -0.61 0.00 0.82 0.00 0.00 66.70 64.19 3kqz h VAL 91 Cb 1.19 2.55 -0.17 0.00 -1.52 0.00 0.00 31.29 33.33 3kqz h VAL 91 CO 0.41 0.53 -0.80 0.68 0.02 0.00 0.00 177.57 178.41 3kqz s VAL 92 N -2.40 2.25 -0.49 2.57 -7.23 -1.26 -5.04 120.40 108.80 3kqz s VAL 92 Ca -0.24 -2.10 0.14 0.00 -1.81 0.00 0.00 61.98 57.97 3kqz s VAL 92 Cb 0.04 -2.10 0.14 0.00 0.56 0.00 0.00 36.38 35.02 3kqz s VAL 92 CO 0.68 -0.24 1.44 -1.54 -0.31 0.00 0.00 175.10 175.13 3kqz n SER 93 N 0.04 0.37 -0.06 4.85 3.41 -1.26 -1.50 113.62 119.47 3kqz n SER 93 Ca -0.11 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 3kqz n SER 93 Cb 0.57 -0.72 0.36 0.00 -0.26 0.00 0.00 64.21 64.16 3kqz n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 94 N -2.00 0.53 -4.68 1.04 4.77 -1.26 -4.88 117.00 110.53 3kqz n LEU 94 Ca -0.01 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3kqz n LEU 94 Cb 0.03 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3kqz n LEU 94 CO 0.07 0.12 1.41 -1.81 -1.33 0.00 0.00 177.39 175.84 3kqz s ASP 95 N -2.85 6.56 0.60 -1.43 1.01 -0.56 -4.93 116.67 115.06 3kqz s ASP 95 Ca 0.16 2.53 -0.19 0.00 0.71 0.00 0.00 52.55 55.75 3kqz s ASP 95 Cb 0.18 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 3kqz s ASP 95 CO 0.62 -0.94 1.21 -0.81 0.21 0.00 0.00 175.17 175.46 3kqz n PRO 96 N 6.17 1.22 -0.08 8.23 -0.04 -1.26 -4.93 135.00 144.31 3kqz n PRO 96 Ca 0.17 0.47 0.03 0.00 -0.04 0.00 0.00 63.50 64.12 3kqz n PRO 96 Cb 0.40 -2.43 0.07 0.00 -0.04 0.00 0.00 33.50 31.50 3kqz n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kqz n THR 97 N -1.58 1.04 -3.62 0.52 -2.24 -1.26 -4.83 114.28 102.31 3kqz n THR 97 Ca 0.14 -1.04 -0.08 0.00 -2.27 0.00 0.00 64.05 60.79 3kqz n THR 97 Cb 0.47 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.06 -0.37 -0.20 3.42 1.04 -1.26 -4.69 113.70 110.57 3kqz s SER 98 Ca 0.11 -0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.07 3kqz s SER 98 Cb 0.06 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 3kqz s SER 98 CO 0.06 -1.00 0.66 -0.63 0.98 0.00 0.00 173.24 173.32 3kqz s ILE 99 N -3.59 4.99 0.26 -1.02 1.01 -1.26 -4.86 121.20 116.73 3kqz s ILE 99 Ca 0.07 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.67 3kqz s ILE 99 Cb -0.02 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 3kqz s ILE 99 CO -0.04 0.08 1.41 -2.16 0.00 0.00 0.00 174.94 174.23 3kqz s PRO 100 N 2.07 4.28 -0.03 2.79 0.04 -1.26 -4.99 135.00 137.90 3kqz s PRO 100 Ca 0.30 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.63 3kqz s PRO 100 Cb -0.16 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.29 3kqz s PRO 100 CO 0.10 -0.38 -0.05 0.42 0.04 0.00 0.00 177.00 177.14 3kqz s ILE 101 N -0.16 0.49 -0.31 0.56 -1.09 -1.26 -4.98 121.20 114.44 3kqz s ILE 101 Ca 0.58 -0.15 -0.10 0.00 -2.23 0.00 0.00 60.65 58.75 3kqz s ILE 101 Cb -0.41 -0.50 -0.01 0.00 -1.58 0.00 0.00 42.46 39.96 3kqz s ILE 101 CO 0.44 0.19 0.16 -0.70 -1.23 0.00 0.00 174.94 173.81 3kqz s GLU 102 N 0.62 3.35 -0.21 2.79 2.12 -1.26 -4.95 118.70 121.16 3kqz s GLU 102 Ca -0.08 -0.71 -0.19 0.00 0.36 0.00 0.00 54.97 54.35 3kqz s GLU 102 Cb -0.11 -3.58 -0.19 0.00 0.26 0.00 0.00 34.13 30.50 3kqz s GLU 102 CO -0.00 -0.42 0.17 0.66 -0.54 0.00 0.00 175.26 175.13 3kqz n TYR 103 N 4.99 0.94 -2.74 5.30 4.02 -1.26 -4.77 117.16 123.64 3kqz n TYR 103 Ca -0.14 0.38 -0.42 0.00 -0.01 0.00 0.00 57.90 57.71 3kqz n TYR 103 Cb 0.49 -1.10 -0.03 0.00 -0.02 0.00 0.00 39.34 38.68 3kqz n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqz s ASN 104 N -6.94 6.30 0.26 7.72 0.01 -1.26 -5.01 114.94 116.02 3kqz s ASN 104 Ca -0.29 -1.09 0.05 0.00 -0.71 0.00 0.00 52.86 50.81 3kqz s ASN 104 Cb 0.07 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 3kqz s ASN 104 CO 0.60 -1.50 0.39 0.42 -1.51 0.00 0.00 177.10 175.49 3kqz s THR 105 N 4.45 5.13 0.49 1.60 -4.23 -1.26 -4.98 115.64 116.84 3kqz s THR 105 Ca 0.31 -0.95 0.16 0.00 -1.18 0.00 0.00 61.69 60.03 3kqz s THR 105 Cb -0.10 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.24 3kqz s THR 105 CO 0.05 -0.33 2.07 -0.65 -0.54 0.00 0.00 174.62 175.22 3kqz h PRO 106 N 1.11 0.17 -0.69 3.99 0.11 -2.00 0.15 132.00 134.84 3kqz h PRO 106 Ca -0.51 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.69 3kqz h PRO 106 Cb 1.23 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3kqz h PRO 106 CO 0.60 0.11 0.46 0.82 -0.21 0.00 0.00 178.00 179.78 3kqz h ILE 107 N 0.17 0.92 0.00 4.15 1.08 -1.93 -1.62 117.51 120.28 3kqz h ILE 107 Ca 0.13 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3kqz h ILE 107 Cb 0.31 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 3kqz h ILE 107 CO -0.02 0.10 0.00 1.41 -0.69 0.00 0.00 178.15 178.95 3kqz n HIS 108 N -4.49 0.36 1.42 1.37 8.25 0.52 -1.96 115.22 120.69 3kqz n HIS 108 Ca 0.11 0.12 0.14 0.00 -0.26 0.00 0.00 57.72 57.83 3kqz n HIS 108 Cb 0.36 -0.69 0.51 0.00 1.12 0.00 0.00 29.99 31.28 3kqz n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kqz n ASP 109 N -1.81 1.11 -4.65 0.41 8.00 -0.61 -4.87 116.55 114.12 3kqz n ASP 109 Ca 0.05 -1.12 -0.43 0.00 0.71 0.00 0.00 54.79 54.00 3kqz n ASP 109 Cb 0.30 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.25 4.19 -0.23 0.53 1.01 -0.83 -4.78 121.20 118.84 3kqz s ILE 110 Ca 0.32 1.41 -0.26 0.00 0.00 0.00 0.00 60.65 62.12 3kqz s ILE 110 Cb 0.20 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3kqz s ILE 110 CO 0.42 -0.21 0.92 -0.54 0.00 0.00 0.00 174.94 175.53 3kqz s LYS 111 N 3.73 4.23 -0.22 2.79 1.02 -0.24 -4.89 119.74 126.16 3kqz s LYS 111 Ca 0.57 1.13 -0.10 0.00 0.02 0.00 0.00 55.97 57.58 3kqz s LYS 111 Cb -0.21 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.41 3kqz s LYS 111 CO 0.18 -0.54 0.14 0.08 -0.92 0.00 0.00 175.35 174.28 3kqz s VAL 112 N 2.91 5.32 -0.10 3.17 1.01 -1.26 -0.40 120.40 131.04 3kqz s VAL 112 Ca 0.39 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.57 3kqz s VAL 112 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3kqz s VAL 112 CO 0.07 0.40 -0.23 -1.10 0.00 0.00 0.00 175.10 174.24 3kqz s GLN 113 N 0.69 3.06 -0.15 2.72 -1.52 0.03 -4.97 119.66 119.53 3kqz s GLN 113 Ca 0.07 -0.87 -0.03 0.00 -1.95 0.00 0.00 55.36 52.58 3kqz s GLN 113 Cb -0.12 -2.32 -0.03 0.00 -0.22 0.00 0.00 33.01 30.32 3kqz s GLN 113 CO 0.01 0.17 -0.04 0.08 -0.25 0.00 0.00 175.29 175.26 3kqz s VAL 114 N 0.38 3.88 0.07 1.09 1.01 -1.26 -0.86 120.40 124.71 3kqz s VAL 114 Ca -0.18 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3kqz s VAL 114 Cb -0.18 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3kqz s VAL 114 CO 0.08 0.51 -0.21 -0.31 0.00 0.00 0.00 175.10 175.16 3kqz s TYR 115 N 0.22 1.86 -0.07 5.22 1.51 0.22 -4.96 117.35 121.33 3kqz s TYR 115 Ca -0.02 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 3kqz s TYR 115 Cb -0.14 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 3kqz s TYR 115 CO 0.03 0.15 1.20 0.34 -1.11 0.00 0.00 175.55 176.16 3kqz s ASP 116 N -1.52 7.04 0.55 2.29 -1.08 -1.26 -1.76 116.67 120.94 3kqz s ASP 116 Ca 0.08 1.78 0.32 0.00 -0.52 0.00 0.00 52.55 54.21 3kqz s ASP 116 Cb -0.09 -2.56 1.48 0.00 -1.46 0.00 0.00 42.92 40.29 3kqz s ASP 116 CO 0.03 -0.60 1.86 0.40 0.52 0.00 0.00 175.17 177.37 3kqz h ILE 117 N 5.09 0.47 -0.32 4.11 2.04 -1.61 -2.06 117.51 125.23 3kqz h ILE 117 Ca -0.33 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.63 3kqz h ILE 117 Cb 1.15 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3kqz h ILE 117 CO 0.89 0.00 0.25 0.11 0.00 0.00 0.00 178.15 179.40 3kqz h LYS 118 N 0.00 0.00 0.00 2.37 6.56 -1.92 -0.44 116.57 123.13 3kqz h LYS 118 Ca 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.01 3kqz h LYS 118 Cb 1.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.43 3kqz h LYS 118 CO -0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 3kqz n GLY 119 N -1.57 -1.31 0.00 3.86 0.00 -0.77 -5.01 105.19 100.38 3kqz n GLY 119 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.22 -1.17 3.62 -0.02 0.00 -0.18 -4.95 105.19 103.71 3kqz n GLY 120 Ca 0.11 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N 0.54 7.10 -0.41 0.00 -0.87 -1.26 -0.11 114.94 119.93 3kqz s ASN 122 Ca 0.04 1.33 0.04 0.00 -1.57 0.00 0.00 52.86 52.70 3kqz s ASN 122 Cb -0.13 -2.47 0.11 0.00 -0.02 0.00 0.00 41.25 38.75 3kqz s ASN 122 CO 0.01 -0.19 0.14 -0.69 -2.57 0.00 0.00 177.10 173.80 3kqz s VAL 123 N 1.02 2.32 0.00 1.60 1.01 -1.26 -5.01 120.40 120.07 3kqz s VAL 123 Ca 0.42 -2.69 0.00 0.00 0.00 0.00 0.00 61.98 59.71 3kqz s VAL 123 Cb -0.19 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3kqz s VAL 123 CO 0.21 -0.69 0.00 -0.62 0.00 0.00 0.00 175.10 174.00 3kqz n GLU 124 N 3.81 0.37 -0.98 2.72 1.02 -1.26 -4.97 120.64 121.35 3kqz n GLU 124 Ca 0.04 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.86 3kqz n GLU 124 Cb 0.38 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.94 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 4.24 1.48 1.67 3.49 1.03 -1.26 -4.53 118.70 124.83 3kqz s GLU 125 Ca 0.00 1.60 0.00 0.00 0.03 0.00 0.00 54.97 56.60 3kqz s GLU 125 Cb 0.00 -1.77 0.00 0.00 -0.80 0.00 0.00 34.13 31.56 3kqz s GLU 125 CO 0.00 -2.30 0.00 0.41 -1.33 0.00 0.00 175.26 172.04 3kqz n GLY 126 N 0.17 0.27 2.98 -3.83 0.00 -1.26 -4.68 105.19 98.84 3kqz n GLY 126 Ca 0.12 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 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 1.48 -0.30 0.99 2.96 -0.39 -3.74 118.68 119.68 3kqz s LEU 127 Ca 0.00 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 3kqz s LEU 127 Cb 0.00 -0.91 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 3kqz s LEU 127 CO 0.00 -0.04 0.11 -0.89 -1.32 0.00 0.00 176.35 174.21 3kqz s THR 128 N 1.21 4.25 -0.14 3.68 2.01 -0.53 -1.19 115.64 124.93 3kqz s THR 128 Ca -0.04 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 3kqz s THR 128 Cb -0.14 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 3kqz s THR 128 CO -0.03 0.10 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.37 3kqz s ILE 129 N 1.56 4.22 -0.20 1.82 -1.09 0.80 -0.57 121.20 127.73 3kqz s ILE 129 Ca 0.04 -0.25 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 3kqz s ILE 129 Cb -0.17 -2.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 3kqz s ILE 129 CO 0.04 0.52 0.24 -0.36 -1.23 0.00 0.00 174.94 174.15 3kqz s PHE 130 N -0.01 3.39 -0.47 3.97 0.40 0.08 -0.19 117.98 125.15 3kqz s PHE 130 Ca 0.03 0.42 -0.22 0.00 -0.60 0.00 0.00 56.93 56.56 3kqz s PHE 130 Cb -0.13 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.12 3kqz s PHE 130 CO 0.02 0.14 0.73 -0.51 0.70 0.00 0.00 175.22 176.30 3kqz s LEU 131 N 0.80 4.45 0.06 -0.37 1.43 0.83 -1.42 118.68 124.46 3kqz s LEU 131 Ca 0.12 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3kqz s LEU 131 Cb -0.13 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 3kqz s LEU 131 CO 0.04 -0.91 -0.21 0.68 0.23 0.00 0.00 176.35 176.18 3kqz s VAL 132 N 3.09 1.67 0.22 -1.59 -7.23 -0.89 -1.58 120.40 114.09 3kqz s VAL 132 Ca 0.25 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 3kqz s VAL 132 Cb -0.14 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 3kqz s VAL 132 CO 0.19 0.12 0.11 -0.46 -0.31 0.00 0.00 175.10 174.75 3kqz n ASN 133 N 1.61 0.54 -3.30 4.85 0.23 -1.26 0.14 115.26 118.08 3kqz n ASN 133 Ca -0.18 -2.24 -0.09 0.00 -0.53 0.00 0.00 54.58 51.54 3kqz n ASN 133 Cb 0.53 0.72 -0.05 0.00 -2.08 0.00 0.00 39.78 38.90 3kqz n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 134 N -2.39 0.23 0.19 0.53 3.84 -0.72 -4.75 114.94 111.87 3kqz s ASN 134 Ca 0.16 -0.67 -0.31 0.00 0.21 0.00 0.00 52.86 52.25 3kqz s ASN 134 Cb 0.01 1.13 -0.09 0.00 -0.55 0.00 0.00 41.25 41.75 3kqz s ASN 134 CO 0.11 -0.31 1.40 -2.84 -2.79 0.00 0.00 177.10 172.67 3kqz s PRO 135 N 2.23 4.32 0.00 0.43 0.02 -1.26 -3.25 135.00 137.48 3kqz s PRO 135 Ca 0.12 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3kqz s PRO 135 Cb -0.12 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3kqz s PRO 135 CO -0.21 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 3kqz n GLY 136 N 2.79 2.39 3.53 0.52 0.00 0.27 -4.95 105.19 109.74 3kqz n GLY 136 Ca 0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 3.49 0.20 1.61 -2.85 -1.20 -5.01 119.74 115.97 3kqz s LYS 137 Ca 0.00 -1.05 -0.32 0.00 -1.00 0.00 0.00 55.97 53.59 3kqz s LYS 137 Cb 0.00 -4.99 -0.14 0.00 -2.06 0.00 0.00 37.83 30.64 3kqz s LYS 137 CO 0.00 -2.10 1.32 0.39 0.10 0.00 0.00 175.35 175.07 3kqz n GLU 138 N 8.49 1.67 -3.20 1.78 4.71 -1.26 -0.67 120.64 132.15 3kqz n GLU 138 Ca 0.23 0.60 -0.18 0.00 -0.01 0.00 0.00 57.16 57.80 3kqz n GLU 138 Cb 0.50 -2.20 -0.02 0.00 -1.01 0.00 0.00 31.44 28.71 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 2.21 -2.50 -4.53 1.62 4.13 -1.26 -4.95 115.26 109.99 3kqz n ASN 139 Ca 0.14 -0.20 -0.29 0.00 1.68 0.00 0.00 54.58 55.91 3kqz n ASN 139 Cb 0.28 -2.15 0.20 0.00 -1.54 0.00 0.00 39.78 36.57 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kqz s GLY 140 N -2.51 1.56 0.55 7.41 0.00 0.16 -4.45 107.32 110.04 3kqz s GLY 140 Ca 0.31 -0.45 -0.20 0.00 0.00 0.00 0.00 44.72 44.37 3kqz s GLY 140 CO 0.38 0.22 1.25 2.56 0.00 0.00 0.00 173.10 177.51 3kqz s PRO 141 N -4.98 3.17 0.01 2.90 0.04 -1.26 -1.54 135.00 133.33 3kqz s PRO 141 Ca 0.67 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 63.35 3kqz s PRO 141 Cb -0.18 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3kqz s PRO 141 CO 0.58 -1.08 1.29 0.08 0.04 0.00 0.00 177.00 177.91 3kqz s VAL 142 N -1.49 3.90 -0.08 -0.36 1.01 -0.43 -4.71 120.40 118.25 3kqz s VAL 142 Ca 0.73 1.30 0.02 0.00 0.00 0.00 0.00 61.98 64.03 3kqz s VAL 142 Cb -0.33 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3kqz s VAL 142 CO 0.38 0.03 -0.11 -0.54 0.00 0.00 0.00 175.10 174.86 3kqz s LYS 143 N 1.90 1.62 -0.36 2.72 1.02 -1.26 -3.22 119.74 122.15 3kqz s LYS 143 Ca 0.60 -0.36 -0.18 0.00 0.02 0.00 0.00 55.97 56.05 3kqz s LYS 143 Cb -0.30 -1.42 -0.00 0.00 -0.52 0.00 0.00 37.83 35.59 3kqz s LYS 143 CO 0.26 -0.05 0.52 0.42 -0.92 0.00 0.00 175.35 175.58 3kqz s ILE 144 N 0.92 5.01 -0.12 2.17 -1.09 -1.26 -4.91 121.20 121.91 3kqz s ILE 144 Ca -0.10 0.32 0.19 0.00 -2.23 0.00 0.00 60.65 58.83 3kqz s ILE 144 Cb -0.15 -3.98 -0.25 0.00 -1.58 0.00 0.00 42.46 36.50 3kqz s ILE 144 CO 0.01 -0.24 0.42 -1.54 -1.23 0.00 0.00 174.94 172.36 3kqz n SER 145 N 5.76 0.22 -4.75 3.58 3.41 -1.26 -4.93 113.62 115.65 3kqz n SER 145 Ca -0.05 0.09 -0.37 0.00 -0.26 0.00 0.00 58.87 58.28 3kqz n SER 145 Cb 0.49 1.17 0.03 0.00 -0.26 0.00 0.00 64.21 65.65 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 -5.18 5.31 0.20 4.04 0.01 -1.26 -4.98 113.70 111.85 3kqz s SER 146 Ca -0.07 2.58 -0.30 0.00 1.31 0.00 0.00 55.95 59.46 3kqz s SER 146 Cb 0.10 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 3kqz s SER 146 CO 0.85 -1.52 1.29 -0.75 0.41 0.00 0.00 173.24 173.53 3kqz s LYS 147 N -3.03 4.40 -0.16 12.44 2.20 -1.26 -4.97 119.74 129.35 3kqz s LYS 147 Ca 0.73 2.04 -0.02 0.00 -0.36 0.00 0.00 55.97 58.36 3kqz s LYS 147 Cb -0.36 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3kqz s LYS 147 CO 0.41 -0.23 -0.10 0.08 -0.36 0.00 0.00 175.35 175.16 3kqz s VAL 148 N 0.02 3.19 -1.12 4.02 1.01 -1.26 -0.34 120.40 125.91 3kqz s VAL 148 Ca 0.56 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 3kqz s VAL 148 Cb -0.36 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 3kqz s VAL 148 CO 0.39 0.49 2.98 0.59 0.00 0.00 0.00 175.10 179.55 3kqz n ASN 149 N 4.00 7.70 -3.56 3.32 3.02 0.84 -4.67 115.26 125.91 3kqz n ASN 149 Ca -0.18 -2.71 -0.01 0.00 -0.03 0.00 0.00 54.58 51.64 3kqz n ASN 149 Cb 0.52 -1.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.17 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 1.64 -0.62 0.18 6.41 2.15 -1.26 -4.83 116.67 120.33 3kqz s ASP 150 Ca 0.65 0.92 -0.05 0.00 0.43 0.00 0.00 52.55 54.51 3kqz s ASP 150 Cb 0.23 1.48 0.07 0.00 -0.30 0.00 0.00 42.92 44.39 3kqz s ASP 150 CO -0.07 -0.14 1.49 0.07 -0.17 0.00 0.00 175.17 176.35 3kqz h LYS 151 N 6.82 0.64 -0.38 4.34 2.10 -1.97 -1.78 116.57 126.34 3kqz h LYS 151 Ca -0.23 -0.40 -0.13 0.00 -2.00 0.00 0.00 60.65 57.90 3kqz h LYS 151 Cb 1.16 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3kqz h LYS 151 CO 0.14 1.01 -0.26 1.96 -2.00 0.00 0.00 179.45 180.31 3kqz h GLN 152 N 0.50 0.85 -0.30 0.07 1.08 -1.89 -1.22 115.11 114.19 3kqz h GLN 152 Ca 0.01 -0.40 -0.15 0.00 -1.45 0.00 0.00 58.65 56.66 3kqz h GLN 152 Cb 1.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 3kqz h GLN 152 CO 0.11 1.04 -0.44 0.28 -0.95 0.00 0.00 178.83 178.87 3kqz h VAL 153 N 0.65 1.29 -0.43 -0.54 2.07 -1.81 -1.76 116.25 115.72 3kqz h VAL 153 Ca 0.08 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 3kqz h VAL 153 Cb 0.83 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3kqz h VAL 153 CO 0.07 0.53 0.20 0.28 0.02 0.00 0.00 177.57 178.66 3kqz h SER 154 N 0.61 0.57 -0.29 0.57 0.02 -1.26 -0.48 113.55 113.28 3kqz h SER 154 Ca 0.04 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3kqz h SER 154 Cb 1.00 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 3kqz h SER 154 CO 0.09 0.54 0.04 -0.08 -1.14 0.00 0.00 176.83 176.29 3kqz h GLU 155 N 0.55 0.14 -0.91 3.45 4.57 -1.15 -1.55 114.58 119.67 3kqz h GLU 155 Ca 0.15 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3kqz h GLU 155 Cb 0.13 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 3kqz h GLU 155 CO -0.02 0.09 0.54 0.35 -1.18 0.00 0.00 179.01 178.80 3kqz h PHE 156 N 0.15 1.21 -0.46 0.92 3.57 -0.84 -3.03 116.94 118.46 3kqz h PHE 156 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3kqz h PHE 156 Cb 0.16 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3kqz h PHE 156 CO -0.18 0.81 0.00 1.28 -2.23 0.00 0.00 178.31 177.99 3kqz n LEU 157 N -4.35 4.74 -4.70 0.59 4.77 -0.23 -4.66 117.00 113.16 3kqz n LEU 157 Ca 0.10 -2.40 -0.30 0.00 -0.03 0.00 0.00 56.01 53.38 3kqz n LEU 157 Cb 0.07 -0.65 0.14 0.00 -2.33 0.00 0.00 43.42 40.65 3kqz n LEU 157 CO 0.38 0.55 0.66 -1.59 -1.33 0.00 0.00 177.39 176.06 3kqz s LYS 158 N -2.38 1.26 0.32 3.23 -2.85 -0.64 -4.51 119.74 114.16 3kqz s LYS 158 Ca 0.43 1.06 -0.00 0.00 -1.00 0.00 0.00 55.97 56.45 3kqz s LYS 158 Cb 0.33 -1.79 0.51 0.00 -2.06 0.00 0.00 37.83 34.81 3kqz s LYS 158 CO 0.13 -2.31 1.97 -0.44 0.10 0.00 0.00 175.35 174.80 3kqz h ASP 159 N -1.61 0.86 -0.30 0.03 3.32 -1.91 -1.98 116.42 114.82 3kqz h ASP 159 Ca -0.48 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 3kqz h ASP 159 Cb 1.27 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3kqz h ASP 159 CO 0.51 0.64 0.12 -0.08 -1.72 0.00 0.00 179.24 178.70 3kqz h GLU 160 N 1.00 0.52 -0.04 3.56 4.81 -1.95 0.10 114.58 122.59 3kqz h GLU 160 Ca 0.27 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3kqz h GLU 160 Cb -0.09 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.21 3kqz h GLU 160 CO -0.06 0.46 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.27 3kqz h ASN 161 N 0.52 0.52 0.67 1.04 2.35 -1.70 -3.38 115.58 115.60 3kqz h ASN 161 Ca 0.13 -0.71 -0.18 0.00 -0.55 0.00 0.00 56.30 54.99 3kqz h ASN 161 Cb 0.16 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3kqz h ASN 161 CO -0.01 1.15 -0.80 0.24 -1.65 0.00 0.00 177.43 176.36 3kqz h MET 162 N -0.07 0.09 0.00 0.81 2.86 -0.58 -3.27 114.93 114.77 3kqz h MET 162 Ca -0.05 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3kqz h MET 162 Cb 1.20 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3kqz h MET 162 CO 0.10 0.84 0.30 1.05 1.06 0.00 0.00 176.91 180.27 3kqz h GLU 163 N 0.05 0.00 -0.00 1.72 4.11 -0.81 0.21 114.58 119.86 3kqz h GLU 163 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3kqz h GLU 163 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3kqz h GLU 163 CO 0.11 0.00 -0.03 0.36 0.07 0.00 0.00 179.01 179.53 3kqz n LYS 164 N -2.83 0.41 -4.18 1.06 0.00 -1.23 -4.63 118.16 106.75 3kqz n LYS 164 Ca -0.02 -0.03 -0.23 0.00 -0.00 0.00 0.00 58.31 58.02 3kqz n LYS 164 Cb 0.35 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.82 3kqz n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kqz s PHE 165 N -2.61 2.95 0.36 5.58 0.08 0.72 -5.04 117.98 120.01 3kqz s PHE 165 Ca 0.27 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 57.23 3kqz s PHE 165 Cb 0.20 -1.35 -0.07 0.00 -0.57 0.00 0.00 43.02 41.23 3kqz s PHE 165 CO 0.48 0.55 0.03 0.54 -0.10 0.00 0.00 175.22 176.71 3kqz s ASN 166 N -3.56 3.05 -0.02 1.36 2.20 -1.26 -1.32 114.94 115.39 3kqz s ASN 166 Ca 0.31 -1.36 0.20 0.00 -0.94 0.00 0.00 52.86 51.08 3kqz s ASN 166 Cb -0.08 -0.23 0.61 0.00 -2.00 0.00 0.00 41.25 39.55 3kqz s ASN 166 CO 0.22 -0.52 1.51 1.33 -2.94 0.00 0.00 177.10 176.71 3kqz n VAL 167 N -0.80 1.12 -1.48 3.54 0.24 -0.59 -4.67 118.33 115.68 3kqz n VAL 167 Ca -0.04 -1.03 -0.55 0.00 -2.04 0.00 0.00 64.34 60.68 3kqz n VAL 167 Cb 0.66 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 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 1.41 0.13 -1.83 7.34 4.81 -1.26 -0.34 118.16 128.41 3kqz n LYS 168 Ca 0.23 0.04 -0.42 0.00 -0.87 0.00 0.00 58.31 57.29 3kqz n LYS 168 Cb 0.63 -1.41 -0.03 0.00 0.02 0.00 0.00 35.03 34.25 3kqz n LYS 168 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3kqz s LEU 169 N 0.93 4.38 0.00 3.14 2.96 -1.26 -0.46 118.68 128.36 3kqz s LEU 169 Ca 0.82 2.64 0.00 0.00 -0.22 0.00 0.00 54.13 57.36 3kqz s LEU 169 Cb -1.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 41.99 3kqz s LEU 169 CO 0.56 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 3kqz n GLY 170 N 4.05 1.59 3.74 7.98 0.00 -0.47 -4.96 105.19 117.13 3kqz n GLY 170 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kqz n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqz s THR 171 N -3.35 2.50 -0.02 2.61 2.01 0.39 -4.80 115.64 114.98 3kqz s THR 171 Ca 0.00 0.26 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 3kqz s THR 171 Cb 0.00 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.68 3kqz s THR 171 CO 0.00 -0.12 0.55 -0.94 -0.69 0.00 0.00 174.62 173.42 3kqz s SER 172 N -1.99 -0.49 0.05 3.53 1.04 -1.26 -0.80 113.70 113.79 3kqz s SER 172 Ca 0.74 0.43 0.03 0.00 0.48 0.00 0.00 55.95 57.63 3kqz s SER 172 Cb -0.29 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 3kqz s SER 172 CO 0.42 -0.60 -0.09 -0.54 0.98 0.00 0.00 173.24 173.42 3kqz s LYS 173 N -1.53 0.61 -0.05 4.02 -0.14 -1.01 -5.01 119.74 116.63 3kqz s LYS 173 Ca -0.10 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 3kqz s LYS 173 Cb -0.01 -0.37 -0.03 0.00 -1.68 0.00 0.00 37.83 35.74 3kqz s LYS 173 CO 0.06 0.06 -0.07 -1.01 -0.76 0.00 0.00 175.35 173.63 3kqz s HIS 174 N -1.63 2.92 0.19 3.18 3.76 -1.26 -2.45 115.29 120.00 3kqz s HIS 174 Ca -0.06 0.00 0.11 0.00 -0.15 0.00 0.00 55.06 54.96 3kqz s HIS 174 Cb -0.08 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 3kqz s HIS 174 CO 0.00 0.34 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.95 3kqz s PHE 175 N -0.85 2.17 -0.02 1.40 0.08 0.57 -4.96 117.98 116.37 3kqz s PHE 175 Ca 0.13 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.80 3kqz s PHE 175 Cb -0.11 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 3kqz s PHE 175 CO 0.03 0.47 0.01 -0.47 -0.10 0.00 0.00 175.22 175.16 3kqz s TYR 176 N -1.81 0.11 0.29 0.36 5.04 -1.26 -1.33 117.35 118.74 3kqz s TYR 176 Ca 0.20 0.07 -0.21 0.00 -2.44 0.00 0.00 57.07 54.69 3kqz s TYR 176 Cb -0.07 -0.24 0.02 0.00 0.35 0.00 0.00 41.96 42.02 3kqz s TYR 176 CO 0.09 -0.08 0.73 0.00 -1.34 0.00 0.00 175.55 174.95 3kqz s MET 177 N 0.84 1.81 -0.16 4.97 0.23 -0.97 -4.99 119.30 121.03 3kqz s MET 177 Ca -0.07 -1.02 -0.04 0.00 -1.03 0.00 0.00 55.69 53.52 3kqz s MET 177 Cb -0.11 0.61 -0.03 0.00 -1.53 0.00 0.00 34.83 33.77 3kqz s MET 177 CO -0.02 -0.83 -0.01 -0.06 -2.03 0.00 0.00 175.02 172.06 3kqz s PHE 178 N -3.79 3.08 0.18 3.16 0.08 -1.26 -0.28 117.98 119.15 3kqz s PHE 178 Ca 0.11 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 3kqz s PHE 178 Cb -0.06 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 3kqz s PHE 178 CO 0.07 0.03 0.25 0.27 -0.10 0.00 0.00 175.22 175.74 3kqz n ASN 179 N 3.47 0.04 0.15 1.36 0.23 0.25 -4.65 115.26 116.11 3kqz n ASN 179 Ca -0.17 -1.10 0.12 0.00 -0.53 0.00 0.00 54.58 52.90 3kqz n ASN 179 Cb 0.52 -0.19 0.54 0.00 -2.08 0.00 0.00 39.78 38.58 3kqz n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kqz h ASP 180 N -0.31 0.00 -0.60 0.53 3.32 -1.94 -2.13 116.42 115.28 3kqz h ASP 180 Ca -0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3kqz h ASP 180 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3kqz h ASP 180 CO 0.06 0.00 0.06 0.59 -1.72 0.00 0.00 179.24 178.22 3kqz n ASN 181 N -2.32 5.54 -2.87 6.45 3.02 -1.26 -4.91 115.26 118.90 3kqz n ASN 181 Ca 0.01 -3.00 -0.22 0.00 -0.03 0.00 0.00 54.58 51.34 3kqz n ASN 181 Cb 0.19 -0.70 0.02 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.43 -4.10 -4.70 3.52 2.85 -0.80 -4.98 118.16 110.38 3kqz n LYS 182 Ca 0.30 0.94 -0.33 0.00 -1.05 0.00 0.00 58.31 58.17 3kqz n LYS 182 Cb 1.24 -5.75 -0.14 0.00 -0.65 0.00 0.00 35.03 29.72 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 -2.54 4.09 0.04 -5.58 0.01 -1.26 -4.85 114.94 104.86 3kqz s ASN 183 Ca 0.23 -0.31 -0.31 0.00 -0.71 0.00 0.00 52.86 51.76 3kqz s ASN 183 Cb -0.10 -1.63 -0.07 0.00 0.41 0.00 0.00 41.25 39.86 3kqz s ASN 183 CO 0.28 0.16 1.48 -0.94 -1.51 0.00 0.00 177.10 176.57 3kqz s SER 184 N 0.40 6.77 0.14 -1.22 1.04 -1.26 -0.58 113.70 118.98 3kqz s SER 184 Ca -0.10 2.27 0.09 0.00 0.48 0.00 0.00 55.95 58.70 3kqz s SER 184 Cb -0.16 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 3kqz s SER 184 CO 0.05 -0.76 -0.22 0.68 0.98 0.00 0.00 173.24 173.97 3kqz s VAL 185 N 2.24 1.95 -0.17 5.02 -7.23 0.61 -4.89 120.40 117.94 3kqz s VAL 185 Ca 0.67 -1.75 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 3kqz s VAL 185 Cb -0.35 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 3kqz s VAL 185 CO 0.29 -0.09 -0.06 0.00 -0.31 0.00 0.00 175.10 174.92 3kqz s ALA 186 N -1.41 2.84 0.20 1.32 0.00 -1.25 -2.30 121.76 121.17 3kqz s ALA 186 Ca 0.12 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.19 3kqz s ALA 186 Cb -0.09 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 3kqz s ALA 186 CO 0.06 0.03 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 3kqz s VAL 187 N 0.70 1.39 0.01 0.00 1.01 -0.44 -1.45 120.40 121.61 3kqz s VAL 187 Ca -0.03 -2.11 -0.01 0.00 0.00 0.00 0.00 61.98 59.83 3kqz s VAL 187 Cb -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3kqz s VAL 187 CO 0.02 -0.57 0.04 0.61 0.00 0.00 0.00 175.10 175.19 3kqz n GLY 188 N -0.34 1.23 3.25 4.51 0.00 0.27 0.21 105.19 114.32 3kqz n GLY 188 Ca -0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 -5.66 0.07 -0.17 1.61 1.13 -1.02 -0.74 117.35 112.57 3kqz s TYR 189 Ca 0.01 -0.47 0.01 0.00 -1.41 0.00 0.00 57.07 55.21 3kqz s TYR 189 Cb -0.00 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 3kqz s TYR 189 CO 0.00 -0.60 -0.19 0.08 -2.51 0.00 0.00 175.55 172.33 3kqz s VAL 190 N -3.85 2.22 0.24 -3.49 1.01 -0.51 -2.42 120.40 113.60 3kqz s VAL 190 Ca 0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 3kqz s VAL 190 Cb 0.04 -1.93 -0.11 0.00 0.00 0.00 0.00 36.38 34.38 3kqz s VAL 190 CO -0.10 0.53 1.55 -0.83 0.00 0.00 0.00 175.10 176.24 3kqz s GLY 191 N 1.13 1.97 -0.02 4.51 0.00 0.02 -2.10 107.32 112.83 3kqz s GLY 191 Ca 0.01 1.44 0.08 0.00 0.00 0.00 0.00 44.72 46.25 3kqz s GLY 191 CO -0.08 2.51 1.19 0.00 0.00 0.00 0.00 173.10 176.71 3kqz n GLY 193 N -0.00 -1.55 0.00 0.00 0.00 0.54 -4.65 105.19 99.52 3kqz n GLY 193 Ca 0.09 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 0.05 1.03 -4.73 1.61 3.41 -1.26 -1.76 113.62 111.97 3kqz n SER 194 Ca 0.00 -1.47 -0.37 0.00 -0.26 0.00 0.00 58.87 56.77 3kqz n SER 194 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.47 5.27 0.18 -3.33 1.01 -1.26 -0.57 120.40 121.24 3kqz s VAL 195 Ca 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 3kqz s VAL 195 Cb 0.00 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.80 3kqz s VAL 195 CO 0.00 0.38 1.71 0.00 0.00 0.00 0.00 175.10 177.20 3kqz h ALA 196 N 6.60 0.50 -2.49 5.51 0.00 -1.95 -3.39 119.26 124.03 3kqz h ALA 196 Ca -0.42 0.10 -0.73 0.00 0.00 0.00 0.00 54.91 53.86 3kqz h ALA 196 Cb 1.17 0.15 -0.27 0.00 0.00 0.00 0.00 17.79 18.84 3kqz h ALA 196 CO 0.75 -0.33 -0.36 -0.51 0.00 0.00 0.00 179.25 178.80 3kqz s ASP 197 N -5.30 5.86 0.20 0.00 1.11 -1.26 -4.59 116.67 112.70 3kqz s ASP 197 Ca -0.13 -1.73 -0.30 0.00 0.18 0.00 0.00 52.55 50.57 3kqz s ASP 197 Cb 0.15 -2.08 -0.09 0.00 1.07 0.00 0.00 42.92 41.98 3kqz s ASP 197 CO 0.72 -0.70 1.29 -0.76 1.18 0.00 0.00 175.17 176.90 3kqz s LEU 198 N 1.47 4.42 0.70 1.23 1.43 -1.26 -5.01 118.68 121.66 3kqz s LEU 198 Ca 0.04 2.39 -0.09 0.00 -1.03 0.00 0.00 54.13 55.44 3kqz s LEU 198 Cb -0.26 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.39 3kqz s LEU 198 CO 0.02 -0.50 1.04 -0.94 0.23 0.00 0.00 176.35 176.20 3kqz s SER 199 N 0.26 5.07 0.25 2.29 1.04 -1.26 -4.85 113.70 116.50 3kqz s SER 199 Ca 0.56 0.74 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 3kqz s SER 199 Cb -0.36 -1.47 0.44 0.00 0.10 0.00 0.00 66.02 64.74 3kqz s SER 199 CO 0.39 -1.48 1.62 -0.08 0.98 0.00 0.00 173.24 174.66 3kqz h GLU 200 N -0.61 0.07 -0.02 4.02 4.22 -1.95 -0.27 114.58 120.05 3kqz h GLU 200 Ca -0.45 -0.00 -0.16 0.00 0.08 0.00 0.00 59.36 58.82 3kqz h GLU 200 Cb 1.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3kqz h GLU 200 CO 0.62 0.05 -0.73 0.00 -2.18 0.00 0.00 179.01 176.77 3kqz h ALA 201 N 1.75 0.73 -0.40 2.92 0.00 -1.95 -0.76 119.26 121.55 3kqz h ALA 201 Ca 0.42 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kqz h ALA 201 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kqz h ALA 201 CO -0.72 0.85 0.17 -0.44 0.00 0.00 0.00 179.25 179.11 3kqz h ASP 202 N 0.09 0.55 -0.60 0.00 3.32 -1.75 -2.65 116.42 115.38 3kqz h ASP 202 Ca -0.02 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 3kqz h ASP 202 Cb 1.29 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 3kqz h ASP 202 CO 0.11 0.56 0.12 -0.03 -1.72 0.00 0.00 179.24 178.27 3kqz h MET 203 N 0.51 0.98 -0.82 3.56 4.05 -0.35 -1.59 114.93 121.26 3kqz h MET 203 Ca 0.14 -0.25 0.12 0.00 -0.28 0.00 0.00 59.70 59.42 3kqz h MET 203 Cb 0.17 -0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 30.77 3kqz h MET 203 CO -0.01 0.91 0.44 -0.22 0.23 0.00 0.00 176.91 178.26 3kqz h LYS 204 N 0.89 0.67 -0.27 0.39 3.64 -1.07 -0.56 116.57 120.26 3kqz h LYS 204 Ca 0.19 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3kqz h LYS 204 Cb 0.39 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3kqz h LYS 204 CO 0.01 0.44 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.40 3kqz h ARG 205 N 0.69 0.58 -0.73 1.90 9.65 -0.96 0.26 114.38 125.77 3kqz h ARG 205 Ca 0.42 -0.26 0.09 0.00 -1.10 0.00 0.00 59.98 59.14 3kqz h ARG 205 Cb 0.50 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.00 3kqz h ARG 205 CO -0.30 0.83 0.38 0.28 2.80 0.00 0.00 179.97 183.95 3kqz h VAL 206 N 0.32 0.87 -0.36 0.20 2.07 -0.74 -0.84 116.25 117.77 3kqz h VAL 206 Ca 0.06 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 3kqz h VAL 206 Cb 0.66 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3kqz h VAL 206 CO 0.04 0.12 -0.37 0.58 0.02 0.00 0.00 177.57 177.96 3kqz h VAL 207 N 0.64 1.28 -0.77 2.57 2.07 -0.40 -1.51 116.25 120.14 3kqz h VAL 207 Ca 0.36 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.35 3kqz h VAL 207 Cb 0.35 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3kqz h VAL 207 CO -0.26 0.51 0.50 -0.07 0.02 0.00 0.00 177.57 178.27 3kqz h LEU 208 N 0.69 0.85 -0.80 2.57 3.38 -0.15 0.39 115.31 122.23 3kqz h LEU 208 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kqz h LEU 208 Cb 0.96 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3kqz h LEU 208 CO 0.09 0.60 0.42 0.28 0.09 0.00 0.00 178.44 179.92 3kqz h SER 209 N 1.00 1.02 -0.65 -0.43 0.02 -0.77 -2.02 113.55 111.72 3kqz h SER 209 Ca 0.30 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3kqz h SER 209 Cb -0.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 3kqz h SER 209 CO -0.09 0.84 0.12 0.25 -1.14 0.00 0.00 176.83 176.80 3kqz h LEU 210 N 1.12 1.02 -0.79 5.07 5.85 -0.36 -3.00 115.31 124.22 3kqz h LEU 210 Ca 0.28 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3kqz h LEU 210 Cb 0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3kqz h LEU 210 CO -0.04 1.01 -0.14 0.58 -0.34 0.00 0.00 178.44 179.52 3kqz h VAL 211 N 0.98 1.26 0.00 1.05 2.07 0.28 -0.29 116.25 121.60 3kqz h VAL 211 Ca 0.20 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3kqz h VAL 211 Cb 0.42 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3kqz h VAL 211 CO 0.01 0.41 0.00 0.71 0.02 0.00 0.00 177.57 178.72 3kqz h THR 212 N 0.69 0.00 0.00 2.57 1.35 -1.25 0.44 112.91 116.70 3kqz h THR 212 Ca 0.11 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3kqz h THR 212 Cb 0.62 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3kqz h THR 212 CO 0.04 0.00 -0.02 0.24 -0.25 0.00 0.00 175.52 175.53 3kqz h MET 213 N 0.00 0.00 0.01 4.72 2.07 -0.94 -3.30 114.93 117.49 3kqz h MET 213 Ca 0.00 0.00 -0.32 0.00 -2.07 0.00 0.00 59.70 57.31 3kqz h MET 213 Cb 0.25 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 29.93 3kqz h MET 213 CO 0.00 0.00 -1.90 1.28 1.07 0.00 0.00 176.91 177.36 3kqz n LEU 214 N -2.75 0.95 -4.77 1.22 4.77 -0.45 -4.71 117.00 111.27 3kqz n LEU 214 Ca 0.05 0.29 -0.39 0.00 -0.03 0.00 0.00 56.01 55.93 3kqz n LEU 214 Cb 0.49 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3kqz n LEU 214 CO 0.33 0.48 0.85 -1.00 -1.33 0.00 0.00 177.39 176.71 3kqz s HIS 215 N -2.57 3.15 -1.47 -1.77 3.76 0.02 -3.51 115.29 112.90 3kqz s HIS 215 Ca -0.09 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 3kqz s HIS 215 Cb 0.07 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.35 3kqz s HIS 215 CO 0.81 -1.26 0.00 -0.25 -0.85 0.00 0.00 174.74 173.20 3kqz n ASP 216 N 0.36 -4.80 -3.50 1.40 8.00 -1.26 -4.90 116.55 111.85 3kqz n ASP 216 Ca 0.03 0.13 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 3kqz n ASP 216 Cb 0.46 -3.85 -0.13 0.00 -0.02 0.00 0.00 41.12 37.58 3kqz n ASP 216 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kqz s ASN 217 N -2.48 1.51 -0.84 -2.24 3.84 -1.23 -5.09 114.94 108.41 3kqz s ASN 217 Ca 0.00 -0.30 -0.25 0.00 0.21 0.00 0.00 52.86 52.52 3kqz s ASN 217 Cb 0.00 0.33 -0.03 0.00 -0.55 0.00 0.00 41.25 40.99 3kqz s ASN 217 CO 0.00 -0.33 1.87 -0.54 -2.79 0.00 0.00 177.10 175.31 3kqz s LYS 218 N 2.31 2.67 0.00 0.43 1.02 -1.26 -4.91 119.74 120.00 3kqz s LYS 218 Ca 0.07 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 55.93 3kqz s LYS 218 Cb -0.16 -4.92 -0.04 0.00 -0.52 0.00 0.00 37.83 32.20 3kqz s LYS 218 CO -0.13 -3.12 -0.03 -0.51 -0.92 0.00 0.00 175.35 170.64 3kqz s LEU 219 N 9.36 3.36 0.06 3.17 1.43 -1.26 -5.02 118.68 129.78 3kqz s LEU 219 Ca 0.67 -0.08 0.20 0.00 -1.03 0.00 0.00 54.13 53.89 3kqz s LEU 219 Cb -0.07 -1.93 -0.15 0.00 0.03 0.00 0.00 46.19 44.06 3kqz s LEU 219 CO 0.04 0.28 0.74 -1.54 0.23 0.00 0.00 176.35 176.10 3kqz n SER 220 N 1.43 0.56 -3.82 2.29 3.41 -1.26 -3.72 113.62 112.51 3kqz n SER 220 Ca -0.15 0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 3kqz n SER 220 Cb 0.53 0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 65.15 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 -3.20 0.10 -0.06 4.33 2.20 -1.26 0.20 119.74 122.05 3kqz s LYS 221 Ca -0.04 0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.78 3kqz s LYS 221 Cb 0.10 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3kqz s LYS 221 CO 0.83 -0.04 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.41 3kqz s LEU 222 N 0.25 2.39 -0.08 5.43 2.96 -0.73 -1.27 118.68 127.63 3kqz s LEU 222 Ca -0.02 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3kqz s LEU 222 Cb -0.03 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.21 3kqz s LEU 222 CO -0.01 0.28 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.23 3kqz s THR 223 N -0.37 1.58 -0.14 3.68 2.01 -0.34 0.36 115.64 122.43 3kqz s THR 223 Ca 0.03 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 3kqz s THR 223 Cb -0.12 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 3kqz s THR 223 CO 0.02 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.58 3kqz s VAL 224 N 0.47 2.95 -0.31 3.82 1.01 0.13 -0.14 120.40 128.32 3kqz s VAL 224 Ca -0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 3kqz s VAL 224 Cb -0.16 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 3kqz s VAL 224 CO 0.06 0.52 0.15 -0.69 0.00 0.00 0.00 175.10 175.14 3kqz s VAL 225 N 0.54 4.57 -0.40 2.92 1.01 0.74 -0.81 120.40 128.97 3kqz s VAL 225 Ca -0.09 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 3kqz s VAL 225 Cb -0.16 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3kqz s VAL 225 CO 0.04 0.05 0.97 -0.36 0.00 0.00 0.00 175.10 175.79 3kqz s PHE 226 N 1.60 3.02 -0.29 5.22 0.40 0.98 -0.12 117.98 128.79 3kqz s PHE 226 Ca 0.04 0.73 0.09 0.00 -0.60 0.00 0.00 56.93 57.18 3kqz s PHE 226 Cb -0.17 -3.83 0.48 0.00 0.51 0.00 0.00 43.02 40.01 3kqz s PHE 226 CO 0.06 -0.94 1.40 0.39 0.70 0.00 0.00 175.22 176.83 3kqz n GLU 227 N 7.01 2.02 -4.15 0.44 1.02 -0.61 -4.66 120.64 121.71 3kqz n GLU 227 Ca 0.08 -3.35 -0.12 0.00 -0.02 0.00 0.00 57.16 53.75 3kqz n GLU 227 Cb 0.48 -1.84 -0.11 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.48 0.72 -0.08 -3.67 -4.36 -1.25 -4.32 121.20 104.76 3kqz s ILE 228 Ca 0.45 -1.65 -0.25 0.00 -0.26 0.00 0.00 60.65 58.94 3kqz s ILE 228 Cb 0.40 -1.34 -0.03 0.00 1.25 0.00 0.00 42.46 42.75 3kqz s ILE 228 CO -0.02 -0.67 0.76 0.20 0.24 0.00 0.00 174.94 175.45 3kqz s ASN 229 N -2.53 7.02 0.00 4.36 0.01 -1.26 -5.02 114.94 117.52 3kqz s ASN 229 Ca 0.05 1.24 0.02 0.00 -0.71 0.00 0.00 52.86 53.45 3kqz s ASN 229 Cb -0.01 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 3kqz s ASN 229 CO -0.02 -0.19 -0.05 0.68 -1.51 0.00 0.00 177.10 176.01 3kqz s VAL 230 N 1.09 0.39 1.00 1.60 -7.23 -1.26 -4.73 120.40 111.26 3kqz s VAL 230 Ca 0.39 -0.30 -0.16 0.00 -1.81 0.00 0.00 61.98 60.11 3kqz s VAL 230 Cb -0.18 -0.35 0.20 0.00 0.56 0.00 0.00 36.38 36.61 3kqz s VAL 230 CO 0.18 0.05 1.21 1.51 -0.31 0.00 0.00 175.10 177.74 3kqz s ASP 231 N -0.28 2.72 0.18 4.85 1.47 -1.26 -4.78 116.67 119.58 3kqz s ASP 231 Ca 0.00 0.59 -0.12 0.00 1.18 0.00 0.00 52.55 54.20 3kqz s ASP 231 Cb -0.03 -0.85 0.09 0.00 -0.34 0.00 0.00 42.92 41.79 3kqz s ASP 231 CO -0.00 -3.00 1.77 0.11 0.68 0.00 0.00 175.17 174.72 3kqz h LYS 232 N -1.82 0.90 -0.54 2.11 1.57 -1.99 -0.22 116.57 116.58 3kqz h LYS 232 Ca -0.46 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.14 3kqz h LYS 232 Cb 1.28 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 3kqz h LYS 232 CO 0.45 0.72 0.16 -0.91 -0.57 0.00 0.00 179.45 179.30 3kqz h ASN 233 N 0.85 0.74 -0.23 0.86 2.35 -1.93 -0.46 115.58 117.77 3kqz h ASN 233 Ca 0.21 -0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.65 3kqz h ASN 233 Cb 0.12 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3kqz h ASN 233 CO -0.03 0.71 -0.61 0.25 -1.65 0.00 0.00 177.43 176.11 3kqz h LEU 234 N 0.78 0.94 0.03 1.61 5.85 -1.77 0.10 115.31 122.86 3kqz h LEU 234 Ca 0.18 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3kqz h LEU 234 Cb 0.24 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3kqz h LEU 234 CO -0.01 1.33 -0.18 0.15 -0.34 0.00 0.00 178.44 179.39 3kqz h PHE 235 N 0.62 -0.47 -0.63 1.25 3.57 -0.64 0.50 116.94 121.14 3kqz h PHE 235 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3kqz h PHE 235 Cb 1.22 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 40.12 3kqz h PHE 235 CO 0.07 -0.26 0.39 -0.09 -2.23 0.00 0.00 178.31 176.20 3kqz h ARG 236 N -0.31 0.76 -0.77 1.11 2.43 -0.92 -1.15 114.38 115.54 3kqz h ARG 236 Ca 0.05 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3kqz h ARG 236 Cb 0.37 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3kqz h ARG 236 CO -0.15 0.50 0.49 0.35 -1.51 0.00 0.00 179.97 179.65 3kqz h PHE 237 N 0.78 0.92 -0.33 2.20 3.57 -0.25 0.15 116.94 123.98 3kqz h PHE 237 Ca 0.25 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.84 3kqz h PHE 237 Cb -0.01 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.35 3kqz h PHE 237 CO -0.05 0.53 -0.12 0.35 -2.23 0.00 0.00 178.31 176.79 3kqz h PHE 238 N 0.96 -0.29 -0.63 0.41 3.57 0.12 -0.93 116.94 120.15 3kqz h PHE 238 Ca 0.31 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 3kqz h PHE 238 Cb -0.00 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3kqz h PHE 238 CO -0.03 -0.20 0.02 -0.07 -2.23 0.00 0.00 178.31 175.81 3kqz h LEU 239 N -0.06 1.06 -0.44 0.59 3.38 -0.25 -0.21 115.31 119.38 3kqz h LEU 239 Ca 0.17 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kqz h LEU 239 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kqz h LEU 239 CO -0.38 1.09 0.26 -0.33 0.09 0.00 0.00 178.44 179.17 3kqz h GLU 240 N 1.00 0.61 -0.03 1.13 5.08 -0.50 0.15 114.58 122.01 3kqz h GLU 240 Ca 0.18 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 3kqz h GLU 240 Cb 0.54 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.68 3kqz h GLU 240 CO 0.03 0.46 -0.94 1.15 -1.00 0.00 0.00 179.01 178.71 3kqz h THR 241 N 0.58 1.33 0.28 1.13 2.02 -1.00 0.13 112.91 117.38 3kqz h THR 241 Ca 0.16 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.08 3kqz h THR 241 Cb 0.02 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3kqz h THR 241 CO -0.03 0.69 -0.33 0.25 0.37 0.00 0.00 175.52 176.48 3kqz h LEU 242 N 0.36 -0.90 -0.33 2.58 5.85 -0.84 0.16 115.31 122.18 3kqz h LEU 242 Ca -0.09 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3kqz h LEU 242 Cb 1.58 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 3kqz h LEU 242 CO 0.18 -0.45 0.17 -0.26 -0.34 0.00 0.00 178.44 177.73 3kqz h PHE 243 N -0.65 0.31 -0.35 1.25 0.04 -0.54 0.18 116.94 117.19 3kqz h PHE 243 Ca -0.01 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3kqz h PHE 243 Cb 0.61 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3kqz h PHE 243 CO -0.22 0.17 0.04 -0.92 -0.60 0.00 0.00 178.31 176.78 3kqz h TYR 244 N 0.35 0.63 0.00 -0.55 3.20 -0.64 -0.85 116.97 119.10 3kqz h TYR 244 Ca 0.14 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3kqz h TYR 244 Cb 0.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3kqz h TYR 244 CO -0.10 0.66 -0.32 0.93 -1.64 0.00 0.00 178.16 177.69 3kqz h GLU 245 N 0.41 0.00 -0.02 1.82 4.39 -0.38 -3.22 114.58 117.59 3kqz h GLU 245 Ca 0.10 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 3kqz h GLU 245 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3kqz h GLU 245 CO 0.01 0.32 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.11 3kqz h TYR 246 N 0.00 0.18 -2.61 4.33 3.20 -0.40 -3.45 116.97 118.22 3kqz h TYR 246 Ca -0.00 -0.09 -0.58 0.00 3.14 0.00 0.00 58.73 61.20 3kqz h TYR 246 Cb 1.08 -0.03 0.08 0.00 1.54 0.00 0.00 36.73 39.40 3kqz h TYR 246 CO 0.00 0.82 0.66 -0.12 -1.64 0.00 0.00 178.16 177.88 3kqz n MET 247 N -4.60 2.07 -4.93 1.82 1.56 -0.35 -5.00 117.12 107.69 3kqz n MET 247 Ca -0.09 0.74 -0.33 0.00 -0.27 0.00 0.00 57.70 57.75 3kqz n MET 247 Cb 0.43 -2.42 -0.15 0.00 2.15 0.00 0.00 33.22 33.23 3kqz n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kqz s THR 248 N 0.13 2.80 -0.38 1.12 2.01 -1.26 -4.97 115.64 115.09 3kqz s THR 248 Ca 0.70 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 3kqz s THR 248 Cb -0.65 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 69.74 3kqz s THR 248 CO 0.47 0.55 0.38 -0.62 -0.69 0.00 0.00 174.62 174.72 3kqz s ASP 249 N -0.00 6.18 -0.02 3.53 -1.08 -1.26 -4.88 116.67 119.14 3kqz s ASP 249 Ca -0.05 -0.44 0.03 0.00 -0.52 0.00 0.00 52.55 51.57 3kqz s ASP 249 Cb -0.14 -2.20 0.05 0.00 -1.46 0.00 0.00 42.92 39.16 3kqz s ASP 249 CO 0.04 -0.44 1.03 -0.62 0.52 0.00 0.00 175.17 175.71 3kqz n GLU 250 N 5.45 2.75 -0.23 4.34 1.02 -1.26 -4.72 120.64 127.99 3kqz n GLU 250 Ca -0.09 -1.67 0.25 0.00 -0.02 0.00 0.00 57.16 55.63 3kqz n GLU 250 Cb 0.48 -1.08 0.62 0.00 -0.02 0.00 0.00 31.44 31.44 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 0.19 -0.02 3.49 3.08 -1.97 -0.58 114.38 118.61 3kqz h ARG 251 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kqz h ARG 251 Cb 0.58 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3kqz h ARG 251 CO 0.00 0.13 -0.01 1.19 -1.07 0.00 0.00 179.97 180.21 3kqz n PHE 252 N -4.40 0.00 -2.55 3.04 3.01 -1.26 -4.91 117.46 110.39 3kqz n PHE 252 Ca 0.20 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.26 3kqz n PHE 252 Cb 0.88 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.30 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 -1.68 4.69 0.00 -1.08 -0.14 -0.23 -4.97 119.74 116.33 3kqz s LYS 253 Ca 0.23 1.72 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 3kqz s LYS 253 Cb 0.17 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.11 3kqz s LYS 253 CO 0.26 0.29 0.00 0.45 -0.76 0.00 0.00 175.35 175.58 3kqz n SER 254 N 1.25 0.00 0.28 2.83 2.88 -1.26 -4.89 113.62 114.71 3kqz n SER 254 Ca -0.01 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.67 3kqz n SER 254 Cb 0.45 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.70 3kqz n SER 254 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3kqz h THR 255 N 0.00 0.44 -2.92 2.46 1.35 -2.02 -3.55 112.91 108.67 3kqz h THR 255 Ca 0.00 -0.44 -0.62 0.00 -0.55 0.00 0.00 66.41 64.79 3kqz h THR 255 Cb 0.00 1.31 -0.04 0.00 -1.73 0.00 0.00 68.15 67.68 3kqz h THR 255 CO 0.00 0.09 -0.51 -1.81 -0.25 0.00 0.00 175.52 173.04 3kqz s ASP 256 N -5.99 6.31 -0.20 5.36 1.01 -1.26 -5.33 116.67 116.57 3kqz s ASP 256 Ca -0.03 0.25 -0.01 0.00 0.71 0.00 0.00 52.55 53.48 3kqz s ASP 256 Cb 0.13 -1.93 0.05 0.00 1.01 0.00 0.00 42.92 42.18 3kqz s ASP 256 CO 0.56 0.17 -0.02 -1.61 0.21 0.00 0.00 175.17 174.48 3kqz s GLU 262 N -2.49 1.24 0.20 8.23 2.02 -1.26 -4.97 118.70 121.66 3kqz s GLU 262 Ca 0.34 -0.63 -0.10 0.00 0.02 0.00 0.00 54.97 54.60 3kqz s GLU 262 Cb -0.13 -2.22 -0.07 0.00 0.10 0.00 0.00 34.13 31.82 3kqz s GLU 262 CO 0.27 -0.55 0.53 0.71 0.02 0.00 0.00 175.26 176.24 3kqz s TYR 263 N 1.63 3.48 0.84 1.61 1.51 -1.26 -4.72 117.35 120.44 3kqz s TYR 263 Ca -0.02 0.89 -0.13 0.00 -1.01 0.00 0.00 57.07 56.80 3kqz s TYR 263 Cb -0.17 -2.26 0.06 0.00 -0.11 0.00 0.00 41.96 39.47 3kqz s TYR 263 CO -0.07 0.33 0.86 0.44 -1.11 0.00 0.00 175.55 176.00 3kqz n ILE 264 N 0.14 1.19 0.06 2.71 -5.35 -1.24 -4.85 119.36 112.02 3kqz n ILE 264 Ca -0.01 -0.21 0.09 0.00 -0.27 0.00 0.00 62.75 62.34 3kqz n ILE 264 Cb 0.52 -0.93 -0.13 0.00 -1.74 0.00 0.00 39.64 37.36 3kqz n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqz n LYS 265 N -2.51 0.60 -3.98 6.28 5.02 0.13 -4.72 118.16 118.99 3kqz n LYS 265 Ca 0.11 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.15 3kqz n LYS 265 Cb 0.51 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kqz s HIS 266 N -3.15 0.27 -0.08 2.13 3.76 -0.95 -1.08 115.29 116.20 3kqz s HIS 266 Ca -0.05 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 3kqz s HIS 266 Cb 0.11 -0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.64 3kqz s HIS 266 CO 0.72 -0.15 0.00 -1.17 -0.85 0.00 0.00 174.74 173.29 3kqz s LEU 267 N -1.26 0.63 -0.12 0.89 2.96 0.46 -1.77 118.68 120.46 3kqz s LEU 267 Ca -0.13 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3kqz s LEU 267 Cb -0.09 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 3kqz s LEU 267 CO -0.01 -0.20 0.02 -0.83 -1.32 0.00 0.00 176.35 174.02 3kqz s GLY 268 N 1.96 1.88 -0.10 7.98 0.00 0.16 -0.79 107.32 118.41 3kqz s GLY 268 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.00 3kqz s GLY 268 CO -0.05 -0.33 -0.12 0.14 0.00 0.00 0.00 173.10 172.74 3kqz s VAL 269 N -0.42 1.25 -0.17 1.40 1.01 -0.04 0.23 120.40 123.66 3kqz s VAL 269 Ca 0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3kqz s VAL 269 Cb -0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3kqz s VAL 269 CO 0.02 0.39 -0.00 -0.31 0.00 0.00 0.00 175.10 175.20 3kqz s TYR 270 N 1.10 3.09 0.00 5.22 1.51 0.01 0.70 117.35 128.97 3kqz s TYR 270 Ca -0.06 -0.24 -0.26 0.00 -1.01 0.00 0.00 57.07 55.51 3kqz s TYR 270 Cb -0.14 -2.02 0.06 0.00 -0.11 0.00 0.00 41.96 39.74 3kqz s TYR 270 CO -0.02 -0.04 0.58 -1.50 -1.11 0.00 0.00 175.55 173.46 3kqz s ILE 271 N 0.53 0.02 0.51 2.71 2.07 -0.72 -0.02 121.20 126.30 3kqz s ILE 271 Ca -0.01 -0.13 -0.21 0.00 -1.41 0.00 0.00 60.65 58.89 3kqz s ILE 271 Cb -0.14 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.44 3kqz s ILE 271 CO 0.02 -0.07 1.20 0.20 -1.91 0.00 0.00 174.94 174.38 3kqz s ASN 272 N -1.58 5.80 -1.27 4.50 0.01 -1.26 -1.56 114.94 119.57 3kqz s ASN 272 Ca -0.08 2.37 -0.08 0.00 -0.71 0.00 0.00 52.86 54.35 3kqz s ASN 272 Cb -0.01 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3kqz s ASN 272 CO 0.04 -1.18 0.64 0.59 -1.51 0.00 0.00 177.10 175.68 3kqz n ASN 273 N -0.88 -2.55 0.11 -1.22 3.02 -1.26 -4.86 115.26 107.61 3kqz n ASN 273 Ca 0.09 -0.96 0.08 0.00 -0.03 0.00 0.00 54.58 53.76 3kqz n ASN 273 Cb 0.48 -3.46 0.55 0.00 -0.61 0.00 0.00 39.78 36.73 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 0.81 1.92 0.00 5.41 0.00 -1.85 -2.23 119.26 123.32 3kqz h ALA 274 Ca -0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3kqz h ALA 274 Cb 1.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kqz h ALA 274 CO 0.55 0.04 -0.03 -0.44 0.00 0.00 0.00 179.25 179.38 3kqz h ASP 275 N 0.26 0.00 1.36 0.00 3.45 -1.92 -1.85 116.42 117.72 3kqz h ASP 275 Ca 0.11 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 3kqz h ASP 275 Cb 0.10 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3kqz h ASP 275 CO -0.02 0.03 -0.65 0.71 -1.57 0.00 0.00 179.24 177.73 3kqz h THR 276 N 0.00 0.07 0.00 0.35 1.35 -1.76 -3.34 112.91 109.57 3kqz h THR 276 Ca -0.00 -1.11 -0.26 0.00 -0.55 0.00 0.00 66.41 64.49 3kqz h THR 276 Cb 0.36 1.75 -0.05 0.00 -1.73 0.00 0.00 68.15 68.48 3kqz h THR 276 CO 0.00 0.04 -1.72 -1.22 -0.25 0.00 0.00 175.52 172.37 3kqz n TYR 277 N -2.86 0.84 -0.33 4.73 4.02 -0.86 -4.37 117.16 118.32 3kqz n TYR 277 Ca 0.01 0.30 0.16 0.00 -0.01 0.00 0.00 57.90 58.36 3kqz n TYR 277 Cb 0.57 -1.12 0.32 0.00 -0.02 0.00 0.00 39.34 39.09 3kqz n TYR 277 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3kqz h LYS 278 N 0.00 0.03 0.00 -0.72 1.57 -1.48 0.53 116.57 116.50 3kqz h LYS 278 Ca -0.28 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3kqz h LYS 278 Cb 1.89 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.19 3kqz h LYS 278 CO 0.06 0.02 0.00 -0.85 -0.57 0.00 0.00 179.45 178.11 3kqz n GLU 279 N -5.43 0.10 0.00 3.15 0.00 -1.26 -1.89 120.64 115.31 3kqz n GLU 279 Ca 0.24 0.47 0.13 0.00 0.00 0.00 0.00 57.16 58.01 3kqz n GLU 279 Cb 0.80 -1.76 0.37 0.00 0.00 0.00 0.00 31.44 30.85 3kqz n GLU 279 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3kqz n GLU 280 N -1.96 1.27 0.08 3.44 -0.58 0.19 -4.08 120.64 119.00 3kqz n GLU 280 Ca 0.01 -0.82 -0.09 0.00 -0.42 0.00 0.00 57.16 55.84 3kqz n GLU 280 Cb 0.11 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 3kqz n GLU 280 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kqz h VAL 281 N 1.99 0.56 -0.13 2.62 2.07 -1.46 -1.27 116.25 120.62 3kqz h VAL 281 Ca 0.00 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 3kqz h VAL 281 Cb 0.57 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3kqz h VAL 281 CO 0.00 0.15 -0.25 -0.33 0.02 0.00 0.00 177.57 177.15 3kqz h GLU 282 N -0.96 0.24 -0.73 1.57 4.39 -1.75 -1.86 114.58 115.48 3kqz h GLU 282 Ca -0.03 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3kqz h GLU 282 Cb 0.47 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3kqz h GLU 282 CO 0.05 0.48 0.30 -0.22 -1.16 0.00 0.00 179.01 178.46 3kqz h LYS 283 N 0.22 1.09 -0.93 2.33 3.64 -1.71 -1.45 116.57 119.77 3kqz h LYS 283 Ca 0.03 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3kqz h LYS 283 Cb 0.57 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3kqz h LYS 283 CO 0.04 0.89 0.55 0.00 -2.27 0.00 0.00 179.45 178.66 3kqz h ALA 284 N 1.15 1.18 -0.43 5.00 0.00 -0.61 0.63 119.26 126.18 3kqz h ALA 284 Ca 0.25 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3kqz h ALA 284 Cb 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kqz h ALA 284 CO -0.02 0.65 -0.14 -0.09 0.00 0.00 0.00 179.25 179.64 3kqz h ARG 285 N 1.28 0.79 0.12 0.00 2.43 -0.51 0.35 114.38 118.84 3kqz h ARG 285 Ca 0.33 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3kqz h ARG 285 Cb -0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3kqz h ARG 285 CO -0.06 0.89 -0.06 0.28 -1.51 0.00 0.00 179.97 179.52 3kqz h VAL 286 N 0.71 1.08 -0.91 0.20 2.07 -1.05 -1.90 116.25 116.43 3kqz h VAL 286 Ca 0.11 -1.05 0.17 0.00 0.82 0.00 0.00 66.70 66.75 3kqz h VAL 286 Cb 0.64 1.71 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 3kqz h VAL 286 CO 0.04 0.24 0.50 1.88 0.02 0.00 0.00 177.57 180.26 3kqz h TYR 287 N -0.68 0.88 -0.21 1.57 -1.99 -0.53 0.13 116.97 116.15 3kqz h TYR 287 Ca -0.02 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.77 3kqz h TYR 287 Cb 0.52 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 3kqz h TYR 287 CO 0.08 0.19 0.07 -0.92 -0.00 0.00 0.00 178.16 177.58 3kqz h TYR 288 N 0.67 0.12 -0.27 4.88 3.20 -0.24 -1.32 116.97 124.02 3kqz h TYR 288 Ca 0.51 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.30 3kqz h TYR 288 Cb 0.77 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3kqz h TYR 288 CO -0.06 0.06 -0.18 0.35 -1.64 0.00 0.00 178.16 176.69 3kqz h PHE 289 N 0.17 0.70 -0.74 -3.82 3.57 -0.14 0.33 116.94 117.00 3kqz h PHE 289 Ca 0.09 -0.19 0.16 0.00 3.53 0.00 0.00 57.97 61.56 3kqz h PHE 289 Cb 0.06 -0.16 -0.13 0.00 2.79 0.00 0.00 35.95 38.51 3kqz h PHE 289 CO -0.12 0.87 -0.08 0.78 -2.23 0.00 0.00 178.31 177.53 3kqz h GLY 290 N 0.33 0.70 0.89 2.40 0.00 -0.70 0.79 103.07 107.48 3kqz h GLY 290 Ca 0.05 0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 3kqz h GLY 290 CO 0.05 -0.29 -0.44 -0.84 0.00 0.00 0.00 176.54 175.02 3kqz h THR 291 N 0.05 1.35 -0.55 4.70 2.02 -0.61 -1.81 112.91 118.06 3kqz h THR 291 Ca 0.39 -1.72 -0.06 0.00 0.77 0.00 0.00 66.41 65.78 3kqz h THR 291 Cb 0.65 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 3kqz h THR 291 CO -0.70 0.52 0.09 0.22 0.37 0.00 0.00 175.52 176.02 3kqz h TYR 292 N 0.18 0.97 0.11 3.16 3.20 0.38 -0.27 116.97 124.70 3kqz h TYR 292 Ca -0.01 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 3kqz h TYR 292 Cb 1.06 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.07 3kqz h TYR 292 CO 0.10 0.86 -0.05 -0.92 -1.64 0.00 0.00 178.16 176.50 3kqz h TYR 293 N 0.80 -0.14 -0.69 -3.82 3.20 0.64 0.17 116.97 117.12 3kqz h TYR 293 Ca 0.17 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.17 3kqz h TYR 293 Cb 0.41 0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.63 3kqz h TYR 293 CO 0.03 -0.08 0.21 0.00 -1.64 0.00 0.00 178.16 176.68 3kqz h ALA 294 N 0.73 0.90 -0.62 1.82 0.00 -1.11 -0.83 119.26 120.15 3kqz h ALA 294 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kqz h ALA 294 Cb 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3kqz h ALA 294 CO 0.03 -0.27 0.32 1.03 0.00 0.00 0.00 179.25 180.36 3kqz h SER 295 N 0.34 0.80 -0.82 0.00 0.87 -0.51 0.75 113.55 114.98 3kqz h SER 295 Ca 0.38 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3kqz h SER 295 Cb 0.58 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 3kqz h SER 295 CO -0.42 0.69 0.54 1.56 -0.53 0.00 0.00 176.83 178.67 3kqz h GLN 296 N 0.85 1.03 -0.08 2.24 4.20 0.26 0.78 115.11 124.39 3kqz h GLN 296 Ca 0.22 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3kqz h GLN 296 Cb 0.09 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3kqz h GLN 296 CO -0.03 0.68 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.67 3kqz h LEU 297 N 1.06 0.21 -0.71 1.46 3.38 0.09 -1.30 115.31 119.49 3kqz h LEU 297 Ca 0.31 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3kqz h LEU 297 Cb -0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3kqz h LEU 297 CO -0.08 0.64 0.23 0.40 0.09 0.00 0.00 178.44 179.72 3kqz h ILE 298 N -0.22 1.26 0.00 1.22 2.04 -0.61 -2.67 117.51 118.53 3kqz h ILE 298 Ca 0.01 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 3kqz h ILE 298 Cb 0.58 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3kqz h ILE 298 CO 0.02 0.34 -0.19 0.00 0.00 0.00 0.00 178.15 178.32 3kqz h ALA 299 N 1.11 0.96 -2.66 1.87 0.00 -0.83 -3.41 119.26 116.31 3kqz h ALA 299 Ca 0.23 -0.17 -0.52 0.00 0.00 0.00 0.00 54.91 54.45 3kqz h ALA 299 Cb 0.29 -0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.10 3kqz h ALA 299 CO -0.01 0.23 0.92 0.00 0.00 0.00 0.00 179.25 180.40 3kqz s ALA 300 N -3.47 3.83 0.69 0.00 0.00 -0.50 -4.92 121.76 117.38 3kqz s ALA 300 Ca 0.02 1.47 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 3kqz s ALA 300 Cb 0.09 -3.65 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3kqz s ALA 300 CO 0.64 -0.85 1.07 -2.14 0.00 0.00 0.00 175.76 174.48 3kqz s PRO 301 N 0.87 2.85 0.58 0.00 0.02 -1.26 -4.62 135.00 133.44 3kqz s PRO 301 Ca 0.70 1.09 0.27 0.00 0.02 0.00 0.00 61.00 63.08 3kqz s PRO 301 Cb -0.46 -1.97 1.68 0.00 0.02 0.00 0.00 34.50 33.77 3kqz s PRO 301 CO 0.34 -1.18 2.20 0.77 -0.33 0.00 0.00 177.00 178.81 3kqz h SER 302 N -0.52 0.00 0.08 2.53 0.02 -1.81 0.52 113.55 114.37 3kqz h SER 302 Ca -0.45 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.39 3kqz h SER 302 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3kqz h SER 302 CO 0.55 0.00 -0.40 -0.55 -1.14 0.00 0.00 176.83 175.30 3kqz h ASN 303 N 0.00 0.43 0.06 3.07 -1.07 -1.94 -3.30 115.58 112.83 3kqz h ASN 303 Ca 0.02 -0.18 -0.09 0.00 0.07 0.00 0.00 56.30 56.12 3kqz h ASN 303 Cb 0.11 -0.12 0.01 0.00 -2.07 0.00 0.00 38.32 36.25 3kqz h ASN 303 CO -0.00 0.79 -0.39 1.88 0.07 0.00 0.00 177.43 179.78 3kqz h TYR 304 N 0.34 0.27 -3.33 4.14 0.05 -0.91 -3.42 116.97 114.12 3kqz h TYR 304 Ca 0.03 -0.19 -0.73 0.00 0.05 0.00 0.00 58.73 57.89 3kqz h TYR 304 Cb 0.85 -0.01 -0.30 0.00 1.01 0.00 0.00 36.73 38.28 3kqz h TYR 304 CO 0.03 1.13 -0.37 0.00 -1.05 0.00 0.00 178.16 177.89 3kqz s ASN 306 N 2.56 2.93 0.33 0.00 2.20 -1.25 -4.16 114.94 117.54 3kqz s ASN 306 Ca 0.07 -1.54 0.06 0.00 -0.94 0.00 0.00 52.86 50.51 3kqz s ASN 306 Cb -0.25 0.22 0.70 0.00 -2.00 0.00 0.00 41.25 39.92 3kqz s ASN 306 CO -0.01 -0.76 1.88 -0.65 -2.94 0.00 0.00 177.10 174.61 3kqz h PRO 307 N 1.84 0.80 -0.06 3.55 0.11 -1.88 0.18 132.00 136.54 3kqz h PRO 307 Ca -0.39 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 3kqz h PRO 307 Cb 1.27 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kqz h PRO 307 CO 0.66 0.53 -0.45 0.28 -0.21 0.00 0.00 178.00 178.81 3kqz h VAL 308 N 0.82 1.41 0.00 3.15 2.07 -1.93 -2.05 116.25 119.72 3kqz h VAL 308 Ca 0.43 -1.86 -0.15 0.00 0.82 0.00 0.00 66.70 65.94 3kqz h VAL 308 Cb 0.53 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3kqz h VAL 308 CO -0.20 0.54 -0.71 0.77 0.02 0.00 0.00 177.57 178.00 3kqz h SER 309 N -0.06 0.00 0.07 0.57 4.64 -1.76 0.63 113.55 117.64 3kqz h SER 309 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3kqz h SER 309 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kqz h SER 309 CO 0.09 0.71 -0.03 0.25 -0.87 0.00 0.00 176.83 176.98 3kqz h LEU 310 N 0.00 -0.08 -0.68 5.97 5.85 -0.70 -0.32 115.31 125.35 3kqz h LEU 310 Ca -0.01 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 3kqz h LEU 310 Cb 1.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3kqz h LEU 310 CO 0.09 0.17 0.01 0.77 -0.34 0.00 0.00 178.44 179.13 3kqz h SER 311 N -0.32 1.00 -0.71 1.25 4.64 -1.31 -1.04 113.55 117.06 3kqz h SER 311 Ca -0.01 -0.28 0.12 0.00 -0.47 0.00 0.00 61.79 61.16 3kqz h SER 311 Cb 0.28 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.02 3kqz h SER 311 CO 0.02 1.05 0.28 0.78 -0.87 0.00 0.00 176.83 178.09 3kqz h ASN 312 N 0.94 0.28 -0.70 4.97 2.35 -0.79 -0.12 115.58 122.52 3kqz h ASN 312 Ca 0.17 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.99 3kqz h ASN 312 Cb 0.53 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3kqz h ASN 312 CO 0.03 0.13 0.33 0.00 -1.65 0.00 0.00 177.43 176.27 3kqz h ALA 313 N 1.49 0.90 -0.49 -0.83 0.00 -0.57 -1.36 119.26 118.41 3kqz h ALA 313 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kqz h ALA 313 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kqz h ALA 313 CO -0.36 0.47 0.25 0.00 0.00 0.00 0.00 179.25 179.61 3kqz h ALA 314 N 1.16 0.63 -0.05 0.00 0.00 -0.50 0.11 119.26 120.60 3kqz h ALA 314 Ca 0.24 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3kqz h ALA 314 Cb 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3kqz h ALA 314 CO -0.03 0.17 -0.16 0.28 0.00 0.00 0.00 179.25 179.51 3kqz h VAL 315 N 0.64 0.59 -0.37 0.00 2.07 -0.81 0.18 116.25 118.55 3kqz h VAL 315 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.73 3kqz h VAL 315 Cb 0.09 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3kqz h VAL 315 CO -0.02 0.00 0.12 -0.08 0.02 0.00 0.00 177.57 177.61 3kqz h GLU 316 N -0.24 0.26 -0.90 1.57 4.81 -0.94 0.49 114.58 119.63 3kqz h GLU 316 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3kqz h GLU 316 Cb 0.34 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 3kqz h GLU 316 CO -0.19 0.17 0.59 1.25 -0.73 0.00 0.00 179.01 180.10 3kqz h LEU 317 N 0.27 0.99 -1.29 1.64 5.85 -0.33 0.17 115.31 122.60 3kqz h LEU 317 Ca 0.17 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3kqz h LEU 317 Cb 0.16 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3kqz h LEU 317 CO -0.18 0.69 -0.12 0.00 -0.34 0.00 0.00 178.44 178.48 3kqz h ALA 318 N 1.36 1.41 -0.03 1.25 0.00 0.07 -1.69 119.26 121.63 3kqz h ALA 318 Ca 0.35 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 3kqz h ALA 318 Cb -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kqz h ALA 318 CO -0.11 0.41 -0.93 1.96 0.00 0.00 0.00 179.25 180.58 3kqz h GLN 319 N 0.32 0.58 0.00 0.00 4.20 0.09 0.23 115.11 120.52 3kqz h GLN 319 Ca 0.06 -0.58 -0.04 0.00 0.06 0.00 0.00 58.65 58.15 3kqz h GLN 319 Cb 0.41 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3kqz h GLN 319 CO 0.02 1.20 -0.18 0.87 -0.67 0.00 0.00 178.83 180.08 3kqz h LYS 320 N 0.35 0.00 -0.01 1.46 1.57 -0.50 -3.27 116.57 116.18 3kqz h LYS 320 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3kqz h LYS 320 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 3kqz h LYS 320 CO 0.17 0.18 -0.11 1.28 -0.57 0.00 0.00 179.45 180.40 3kqz n LEU 321 N -3.45 1.58 -2.56 2.94 4.77 -0.66 -4.99 117.00 114.63 3kqz n LEU 321 Ca -0.01 -0.88 -0.19 0.00 -0.03 0.00 0.00 56.01 54.91 3kqz n LEU 321 Cb 0.35 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3kqz n LEU 321 CO 0.32 0.31 0.02 0.59 -1.33 0.00 0.00 177.39 177.29 3kqz n ASN 322 N 0.18 -5.36 -4.91 -1.43 3.02 0.58 -4.92 115.26 102.42 3kqz n ASN 322 Ca 0.05 -0.26 -0.28 0.00 -0.03 0.00 0.00 54.58 54.07 3kqz n ASN 322 Cb 0.25 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 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 -5.63 3.57 0.31 3.41 1.43 0.08 -4.99 118.68 116.86 3kqz s LEU 323 Ca 0.27 0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 54.10 3kqz s LEU 323 Cb -0.12 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 3kqz s LEU 323 CO 0.34 -0.64 0.84 -1.61 0.23 0.00 0.00 176.35 175.50 3kqz s GLU 324 N -4.79 4.29 -0.01 1.70 2.02 -0.21 -4.68 118.70 117.02 3kqz s GLU 324 Ca 0.48 1.01 -0.05 0.00 0.02 0.00 0.00 54.97 56.44 3kqz s GLU 324 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.50 3kqz s GLU 324 CO 0.45 0.23 0.10 1.52 0.02 0.00 0.00 175.26 177.58 3kqz s TYR 325 N -1.77 0.01 -0.03 1.61 -0.85 -1.26 -0.55 117.35 114.50 3kqz s TYR 325 Ca 0.51 -0.02 0.02 0.00 -0.52 0.00 0.00 57.07 57.07 3kqz s TYR 325 Cb -0.14 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.17 3kqz s TYR 325 CO 0.19 -0.17 -0.09 0.21 -1.52 0.00 0.00 175.55 174.17 3kqz s LYS 326 N -0.78 1.08 -0.23 -3.49 2.20 -0.11 -5.00 119.74 113.41 3kqz s LYS 326 Ca -0.09 -0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3kqz s LYS 326 Cb -0.05 -0.99 0.02 0.00 -1.51 0.00 0.00 37.83 35.30 3kqz s LYS 326 CO 0.00 0.09 -0.09 0.42 -0.36 0.00 0.00 175.35 175.42 3kqz s ILE 327 N 0.30 2.77 -0.11 5.43 -1.09 -1.26 -1.09 121.20 126.16 3kqz s ILE 327 Ca -0.05 -0.90 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 3kqz s ILE 327 Cb -0.10 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 3kqz s ILE 327 CO 0.01 0.32 0.47 -0.76 -1.23 0.00 0.00 174.94 173.75 3kqz s LEU 328 N 1.34 4.30 0.58 2.97 1.02 0.59 -4.87 118.68 124.61 3kqz s LEU 328 Ca 0.02 0.83 0.08 0.00 0.02 0.00 0.00 54.13 55.08 3kqz s LEU 328 Cb -0.15 -2.68 0.07 0.00 0.02 0.00 0.00 46.19 43.45 3kqz s LEU 328 CO -0.06 0.03 0.65 -0.83 0.02 0.00 0.00 176.35 176.16 3kqz s GLY 329 N 0.45 1.99 0.21 -3.19 0.00 -1.26 -0.88 107.32 104.64 3kqz s GLY 329 Ca 0.26 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 43.05 3kqz s GLY 329 CO 0.11 -1.81 1.61 -2.08 0.00 0.00 0.00 173.10 170.92 3kqz h VAL 330 N 0.37 0.27 -0.16 1.40 2.07 -1.95 0.32 116.25 118.57 3kqz h VAL 330 Ca -0.32 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3kqz h VAL 330 Cb 1.30 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3kqz h VAL 330 CO 0.47 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 178.45 3kqz h LYS 331 N -0.06 -0.11 -0.30 1.57 1.63 -1.95 0.97 116.57 118.33 3kqz h LYS 331 Ca 0.29 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.03 3kqz h LYS 331 Cb 0.52 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 3kqz h LYS 331 CO -0.69 -0.07 -0.14 1.49 -3.45 0.00 0.00 179.45 176.59 3kqz h GLU 332 N -0.11 0.52 -0.28 1.90 4.81 -1.67 -2.45 114.58 117.29 3kqz h GLU 332 Ca 0.10 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3kqz h GLU 332 Cb 0.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3kqz h GLU 332 CO -0.23 0.65 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.43 3kqz h LEU 333 N 0.48 0.51 -0.39 1.64 3.38 -0.01 -0.76 115.31 120.16 3kqz h LEU 333 Ca 0.09 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3kqz h LEU 333 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kqz h LEU 333 CO 0.03 0.72 -0.09 -0.33 0.09 0.00 0.00 178.44 178.86 3kqz h GLU 334 N 0.47 0.75 -0.31 1.13 5.08 -0.66 -1.81 114.58 119.23 3kqz h GLU 334 Ca 0.08 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3kqz h GLU 334 Cb 0.60 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3kqz h GLU 334 CO 0.04 0.89 0.12 1.49 -1.00 0.00 0.00 179.01 180.54 3kqz h GLU 335 N 0.55 0.43 -0.01 2.33 4.57 -0.91 0.84 114.58 122.38 3kqz h GLU 335 Ca 0.10 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3kqz h GLU 335 Cb 0.61 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3kqz h GLU 335 CO 0.04 0.36 -0.01 1.28 -1.18 0.00 0.00 179.01 179.50 3kqz n LEU 336 N -4.41 0.76 -2.19 1.64 4.77 -0.35 -4.92 117.00 112.30 3kqz n LEU 336 Ca 0.01 -0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 55.58 3kqz n LEU 336 Cb 0.14 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3kqz n LEU 336 CO 0.36 0.13 -0.07 0.29 -1.33 0.00 0.00 177.39 176.77 3kqz n LYS 337 N -0.43 -2.90 -1.71 3.23 5.02 0.29 -4.65 118.16 117.00 3kqz n LYS 337 Ca 0.21 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.82 3kqz n LYS 337 Cb 0.24 -5.16 -0.00 0.00 -0.02 0.00 0.00 35.03 30.09 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -3.02 2.98 0.21 1.97 2.81 -1.02 -1.76 117.12 119.28 3kqz n MET 338 Ca -0.13 -2.60 0.08 0.00 -1.81 0.00 0.00 57.70 53.24 3kqz n MET 338 Cb 0.61 -3.22 0.40 0.00 -0.71 0.00 0.00 33.22 30.30 3kqz n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqz h GLY 339 N 9.57 0.00 0.44 3.03 0.00 -1.72 -1.03 103.07 113.35 3kqz h GLY 339 Ca 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 3kqz h GLY 339 CO 1.87 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 178.36 3kqz h ALA 340 N 1.70 -0.14 0.23 3.60 0.00 -1.84 -1.35 119.26 121.47 3kqz h ALA 340 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kqz h ALA 340 Cb 0.81 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3kqz h ALA 340 CO 0.04 -0.30 -0.24 -0.92 0.00 0.00 0.00 179.25 177.84 3kqz h TYR 341 N -0.70 -0.62 -1.01 0.00 3.20 -1.63 -2.70 116.97 113.51 3kqz h TYR 341 Ca -0.01 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3kqz h TYR 341 Cb 0.54 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 3kqz h TYR 341 CO 0.09 -0.35 0.67 -0.07 -1.64 0.00 0.00 178.16 176.86 3kqz h LEU 342 N -0.50 1.15 -0.66 2.82 3.38 -1.25 -1.56 115.31 118.68 3kqz h LEU 342 Ca -0.00 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3kqz h LEU 342 Cb 0.47 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3kqz h LEU 342 CO -0.06 0.82 0.26 0.28 0.09 0.00 0.00 178.44 179.84 3kqz h SER 343 N 1.35 0.26 -0.71 -0.43 0.02 -0.94 -1.83 113.55 111.27 3kqz h SER 343 Ca 0.37 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 3kqz h SER 343 Cb -0.13 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3kqz h SER 343 CO -0.09 0.14 0.39 0.58 -1.14 0.00 0.00 176.83 176.72 3kqz h VAL 344 N 0.44 1.22 -0.01 2.27 2.07 -0.98 -2.87 116.25 118.39 3kqz h VAL 344 Ca 0.34 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kqz h VAL 344 Cb 0.45 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3kqz h VAL 344 CO -0.33 0.24 -0.11 0.61 0.02 0.00 0.00 177.57 178.00 3kqz n GLY 345 N -1.20 -0.64 0.39 2.17 0.00 -0.75 -4.28 105.19 100.88 3kqz n GLY 345 Ca 0.07 -0.34 0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 1.09 0.48 -0.03 1.61 1.57 -1.15 -1.04 116.57 119.10 3kqz h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqz h LYS 346 Cb 0.40 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3kqz h LYS 346 CO 0.00 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.61 3kqz n GLY 347 N -1.44 -0.28 3.88 3.86 0.00 -1.24 -4.48 105.19 105.48 3kqz n GLY 347 Ca 0.23 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3kqz n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqz s SER 348 N -1.90 6.57 0.33 1.61 0.15 -0.40 -4.55 113.70 115.50 3kqz s SER 348 Ca 0.39 0.70 0.26 0.00 0.70 0.00 0.00 55.95 58.00 3kqz s SER 348 Cb 0.20 -2.14 1.09 0.00 -1.71 0.00 0.00 66.02 63.46 3kqz s SER 348 CO 0.32 0.12 1.78 0.00 1.20 0.00 0.00 173.24 176.66 3kqz h MET 349 N 3.33 0.00 -4.92 5.44 -0.00 -1.90 -3.42 114.93 113.46 3kqz h MET 349 Ca -0.48 0.00 -0.64 0.00 -0.00 0.00 0.00 59.70 58.58 3kqz h MET 349 Cb 1.18 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 32.61 3kqz h MET 349 CO 0.69 0.00 -0.53 0.71 -0.00 0.00 0.00 176.91 177.78 3kqz s TYR 350 N -3.41 3.22 0.60 -0.10 1.51 -1.26 -4.90 117.35 113.01 3kqz s TYR 350 Ca 0.03 0.09 -0.20 0.00 -1.01 0.00 0.00 57.07 55.98 3kqz s TYR 350 Cb 0.09 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 3kqz s TYR 350 CO 0.42 -0.16 1.32 -1.25 -1.11 0.00 0.00 175.55 174.78 3kqz s PRO 351 N 1.69 2.84 0.47 -1.71 0.04 -1.26 -4.79 135.00 132.28 3kqz s PRO 351 Ca 0.07 2.14 -0.24 0.00 0.04 0.00 0.00 61.00 63.01 3kqz s PRO 351 Cb -0.16 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 3kqz s PRO 351 CO 0.10 -1.40 1.36 -0.80 0.04 0.00 0.00 177.00 176.30 3kqz s ASN 352 N -1.18 5.78 -0.09 6.66 -0.87 -1.26 -4.56 114.94 119.41 3kqz s ASN 352 Ca 0.77 2.77 -0.01 0.00 -1.57 0.00 0.00 52.86 54.83 3kqz s ASN 352 Cb -0.39 -2.64 0.03 0.00 -0.02 0.00 0.00 41.25 38.23 3kqz s ASN 352 CO 0.43 -1.22 -0.05 -0.54 -2.57 0.00 0.00 177.10 173.15 3kqz s LYS 353 N -2.58 1.15 -0.27 -0.60 -0.14 -0.74 -3.90 119.74 112.65 3kqz s LYS 353 Ca 0.64 -0.12 -0.12 0.00 -1.36 0.00 0.00 55.97 55.01 3kqz s LYS 353 Cb -0.40 -1.30 -0.05 0.00 -1.68 0.00 0.00 37.83 34.41 3kqz s LYS 353 CO 0.50 -0.25 0.24 0.12 -0.76 0.00 0.00 175.35 175.21 3kqz s PHE 354 N 1.69 3.23 -0.14 3.18 2.19 -0.06 -1.67 117.98 126.40 3kqz s PHE 354 Ca 0.03 0.21 -0.17 0.00 0.33 0.00 0.00 56.93 57.33 3kqz s PHE 354 Cb -0.13 -2.43 -0.04 0.00 -1.31 0.00 0.00 43.02 39.11 3kqz s PHE 354 CO -0.06 -0.17 0.42 0.42 1.83 0.00 0.00 175.22 177.66 3kqz s ILE 355 N 1.81 5.22 -0.35 3.12 1.01 -1.11 -0.30 121.20 130.60 3kqz s ILE 355 Ca 0.09 0.81 -0.00 0.00 0.00 0.00 0.00 60.65 61.55 3kqz s ILE 355 Cb -0.16 -3.76 0.13 0.00 0.01 0.00 0.00 42.46 38.68 3kqz s ILE 355 CO 0.10 0.32 0.19 -2.28 0.00 0.00 0.00 174.94 173.28 3kqz s HIS 356 N 0.73 1.02 0.18 3.97 2.46 -0.25 -2.43 115.29 120.96 3kqz s HIS 356 Ca 0.22 -1.68 -0.10 0.00 0.47 0.00 0.00 55.06 53.98 3kqz s HIS 356 Cb -0.14 -1.20 -0.07 0.00 -0.13 0.00 0.00 32.58 31.04 3kqz s HIS 356 CO 0.08 -0.83 0.51 -0.51 -2.47 0.00 0.00 174.74 171.53 3kqz s LEU 357 N 1.16 4.25 -0.04 8.88 1.02 0.23 -0.94 118.68 133.25 3kqz s LEU 357 Ca 0.15 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.22 3kqz s LEU 357 Cb -0.22 -3.43 0.02 0.00 0.02 0.00 0.00 46.19 42.59 3kqz s LEU 357 CO -0.08 0.02 -0.02 -0.89 0.02 0.00 0.00 176.35 175.40 3kqz s THR 358 N -1.65 0.32 -0.20 5.49 2.01 0.28 -0.11 115.64 121.79 3kqz s THR 358 Ca 0.42 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 3kqz s THR 358 Cb -0.13 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 3kqz s THR 358 CO 0.20 0.18 0.03 -0.47 -0.69 0.00 0.00 174.62 173.88 3kqz s TYR 359 N 1.07 3.11 -0.07 4.92 5.04 0.44 -1.05 117.35 130.81 3kqz s TYR 359 Ca -0.09 -0.25 0.04 0.00 -2.44 0.00 0.00 57.07 54.34 3kqz s TYR 359 Cb -0.14 -2.10 -0.01 0.00 0.35 0.00 0.00 41.96 40.06 3kqz s TYR 359 CO -0.01 -0.11 -0.21 -1.59 -1.34 0.00 0.00 175.55 172.29 3kqz s LYS 360 N 0.85 2.73 0.53 4.97 0.00 -1.26 -0.15 119.74 127.41 3kqz s LYS 360 Ca 0.02 -0.83 -0.19 0.00 0.00 0.00 0.00 55.97 54.97 3kqz s LYS 360 Cb -0.14 -2.30 -0.07 0.00 0.00 0.00 0.00 37.83 35.33 3kqz s LYS 360 CO 0.02 0.38 1.08 -1.12 0.00 0.00 0.00 175.35 175.71 3kqz s SER 361 N -0.13 5.98 0.17 0.03 0.01 -0.49 -4.96 113.70 114.31 3kqz s SER 361 Ca -0.03 2.03 0.25 0.00 1.31 0.00 0.00 55.95 59.51 3kqz s SER 361 Cb -0.14 -2.57 0.91 0.00 0.21 0.00 0.00 66.02 64.43 3kqz s SER 361 CO 0.04 -1.03 1.77 2.29 0.41 0.00 0.00 173.24 176.72 3kqz n LYS 362 N -1.25 0.19 -2.43 12.44 2.85 -1.26 -4.84 118.16 123.85 3kqz n LYS 362 Ca 0.10 0.22 -0.13 0.00 -1.05 0.00 0.00 58.31 57.45 3kqz n LYS 362 Cb 0.52 -1.75 0.04 0.00 -0.65 0.00 0.00 35.03 33.19 3kqz n LYS 362 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kqz n GLY 363 N 1.01 2.13 3.69 2.58 0.00 -1.26 -5.03 105.19 108.30 3kqz n GLY 363 Ca 0.05 -2.21 -0.50 0.00 0.00 0.00 0.00 46.02 43.36 3kqz n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kqz n ASP 364 N -2.43 3.15 -4.67 1.61 5.68 -1.26 -4.66 116.55 113.97 3kqz n ASP 364 Ca 0.08 1.00 -0.43 0.00 -0.50 0.00 0.00 54.79 54.95 3kqz n ASP 364 Cb 0.39 -1.32 -0.02 0.00 -1.14 0.00 0.00 41.12 39.04 3kqz n ASP 364 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3kqz s VAL 365 N 3.74 4.72 -0.40 2.12 1.01 -1.26 -4.31 120.40 126.01 3kqz s VAL 365 Ca 0.93 2.02 0.10 0.00 0.00 0.00 0.00 61.98 65.04 3kqz s VAL 365 Cb -0.79 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.17 3kqz s VAL 365 CO 0.54 -0.08 0.40 0.29 0.00 0.00 0.00 175.10 176.25 3kqz n LYS 366 N 5.63 3.00 -3.70 2.72 5.02 -0.25 -4.96 118.16 125.62 3kqz n LYS 366 Ca 0.10 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 3kqz n LYS 366 Cb 0.47 -1.04 -0.11 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.11 0.33 -0.14 1.97 1.02 -1.05 -5.04 119.74 114.72 3kqz s LYS 367 Ca 0.02 0.74 -0.01 0.00 0.02 0.00 0.00 55.97 56.74 3kqz s LYS 367 Cb 0.08 -0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 3kqz s LYS 367 CO 0.43 -0.17 -0.10 0.15 -0.92 0.00 0.00 175.35 174.74 3kqz s LYS 368 N 1.47 3.49 -0.02 1.68 1.02 -1.26 -1.22 119.74 124.89 3kqz s LYS 368 Ca -0.09 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.31 3kqz s LYS 368 Cb -0.09 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.48 3kqz s LYS 368 CO -0.12 0.22 -0.12 0.42 -0.92 0.00 0.00 175.35 174.83 3kqz s ILE 369 N 0.37 1.02 -0.18 2.17 1.01 0.07 0.32 121.20 125.99 3kqz s ILE 369 Ca -0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 3kqz s ILE 369 Cb -0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3kqz s ILE 369 CO 0.05 0.30 -0.07 0.00 0.00 0.00 0.00 174.94 175.21 3kqz s ALA 370 N -0.03 2.77 -0.23 9.38 0.00 0.56 0.68 121.76 134.89 3kqz s ALA 370 Ca -0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3kqz s ALA 370 Cb -0.08 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 3kqz s ALA 370 CO 0.00 -0.09 0.03 -0.51 0.00 0.00 0.00 175.76 175.20 3kqz s LEU 371 N 0.90 3.31 -0.14 0.00 1.43 0.11 -0.66 118.68 123.64 3kqz s LEU 371 Ca -0.02 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3kqz s LEU 371 Cb -0.15 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3kqz s LEU 371 CO 0.01 -0.00 -0.20 -0.69 0.23 0.00 0.00 176.35 175.70 3kqz s VAL 372 N 1.40 2.28 -0.10 -1.59 1.01 0.76 0.33 120.40 124.49 3kqz s VAL 372 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kqz s VAL 372 Cb -0.15 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.31 3kqz s VAL 372 CO 0.02 0.54 -0.23 -0.83 0.00 0.00 0.00 175.10 174.59 3kqz s GLY 373 N 0.74 1.31 0.19 4.51 0.00 -1.12 -0.12 107.32 112.83 3kqz s GLY 373 Ca -0.08 -0.95 -0.32 0.00 0.00 0.00 0.00 44.72 43.37 3kqz s GLY 373 CO 0.00 -0.31 1.67 1.25 0.00 0.00 0.00 173.10 175.72 3kqz s LYS 374 N 0.35 4.15 -0.52 2.90 2.20 -0.26 -4.08 119.74 124.48 3kqz s LYS 374 Ca -0.19 2.53 0.07 0.00 -0.36 0.00 0.00 55.97 58.03 3kqz s LYS 374 Cb -0.18 -3.10 0.30 0.00 -1.51 0.00 0.00 37.83 33.34 3kqz s LYS 374 CO 0.09 -0.71 0.77 0.41 -0.36 0.00 0.00 175.35 175.55 3kqz n GLY 375 N 3.91 4.49 3.43 5.54 0.00 -1.26 -0.70 105.19 120.61 3kqz n GLY 375 Ca 0.15 -2.35 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.88 5.04 0.04 -0.61 -1.09 -0.35 -1.70 121.20 119.64 3kqz s ILE 376 Ca 0.42 -0.75 0.19 0.00 -2.23 0.00 0.00 60.65 58.27 3kqz s ILE 376 Cb 0.23 -3.83 0.14 0.00 -1.58 0.00 0.00 42.46 37.43 3kqz s ILE 376 CO -0.08 -0.31 1.65 0.71 -1.23 0.00 0.00 174.94 175.68 3kqz h THR 377 N 5.72 0.78 -3.20 2.92 1.35 -1.39 -2.19 112.91 116.90 3kqz h THR 377 Ca -0.26 -1.66 -0.16 0.00 -0.55 0.00 0.00 66.41 63.77 3kqz h THR 377 Cb 1.11 2.07 -0.25 0.00 -1.73 0.00 0.00 68.15 69.35 3kqz h THR 377 CO 0.72 0.37 -0.43 0.12 -0.25 0.00 0.00 175.52 176.05 3kqz s PHE 378 N -3.38 -0.21 -0.41 4.73 5.36 -1.26 -4.30 117.98 118.51 3kqz s PHE 378 Ca 0.02 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 56.52 3kqz s PHE 378 Cb 0.09 0.07 0.11 0.00 -0.34 0.00 0.00 43.02 42.96 3kqz s PHE 378 CO 0.69 -0.17 0.15 0.34 -1.46 0.00 0.00 175.22 174.77 3kqz s ASP 379 N -0.19 4.39 0.26 6.13 2.15 -1.14 -1.09 116.67 127.18 3kqz s ASP 379 Ca -0.03 -2.43 0.26 0.00 0.43 0.00 0.00 52.55 50.77 3kqz s ASP 379 Cb -0.03 -1.47 0.84 0.00 -0.30 0.00 0.00 42.92 41.96 3kqz s ASP 379 CO 0.01 -0.32 1.76 0.77 -0.17 0.00 0.00 175.17 177.21 3kqz h SER 380 N 7.19 0.00 0.00 -0.34 4.64 -1.64 -3.45 113.55 119.95 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 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3kqz h SER 380 CO 0.57 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.14 3kqz n GLY 381 N 0.89 1.26 7.00 -0.77 0.00 -1.26 -0.40 105.19 111.91 3kqz n GLY 381 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.56 0.36 -0.02 0.00 -1.26 -1.98 105.19 100.85 3kqz n GLY 382 Ca 0.00 -0.79 0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 0.13 0.00 1.61 0.05 -1.82 0.80 116.97 117.74 3kqz h TYR 383 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.33 3kqz h TYR 383 Cb 0.00 -0.04 0.02 0.00 1.01 0.00 0.00 36.73 37.71 3kqz h TYR 383 CO 0.00 0.06 2.81 0.09 -1.05 0.00 0.00 178.16 180.07 3kqz n ASN 384 N -4.43 6.19 -4.59 3.88 4.13 -1.20 -4.98 115.26 114.26 3kqz n ASN 384 Ca 0.08 -2.40 -0.44 0.00 1.68 0.00 0.00 54.58 53.51 3kqz n ASN 384 Cb 0.48 -1.25 -0.01 0.00 -1.54 0.00 0.00 39.78 37.45 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqz n LEU 385 N 3.84 1.94 -4.56 3.41 7.94 0.27 -4.48 117.00 125.37 3kqz n LEU 385 Ca 0.55 1.14 -0.35 0.00 -1.11 0.00 0.00 56.01 56.24 3kqz n LEU 385 Cb 0.21 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 42.82 3kqz n LEU 385 CO 0.71 -1.45 1.41 -0.54 -1.11 0.00 0.00 177.39 176.41 3kqz s LYS 386 N -1.66 3.10 0.00 1.96 1.02 0.46 -4.55 119.74 120.07 3kqz s LYS 386 Ca 0.59 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.95 3kqz s LYS 386 Cb -0.66 -5.11 0.00 0.00 -0.52 0.00 0.00 37.83 31.54 3kqz s LYS 386 CO 0.59 -2.69 0.00 0.00 -0.92 0.00 0.00 175.35 172.33 3kqz n ALA 387 N 11.14 1.99 -1.79 5.17 0.00 -1.26 -4.68 120.51 131.08 3kqz n ALA 387 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 3kqz n ALA 387 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz s ALA 388 N -1.56 2.95 0.27 0.00 0.00 -1.26 -4.97 121.76 117.19 3kqz s ALA 388 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 3kqz s ALA 388 Cb 0.00 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 3kqz s ALA 388 CO 0.00 -0.28 1.42 -2.30 0.00 0.00 0.00 175.76 174.61 3kqz n PRO 389 N -0.62 2.20 -0.62 0.00 -0.02 -1.26 -1.73 135.00 132.96 3kqz n PRO 389 Ca 0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3kqz n PRO 389 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3kqz n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 390 N 1.85 1.20 0.19 -1.23 0.00 -1.26 -4.89 105.19 101.06 3kqz n GLY 390 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3kqz n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqz h SER 391 N 0.00 0.00 -6.20 1.61 4.64 -1.71 -3.48 113.55 108.41 3kqz h SER 391 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3kqz h SER 391 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3kqz h SER 391 CO 0.00 0.00 -0.86 0.23 -0.87 0.00 0.00 176.83 175.33 3kqz n MET 392 N -2.70 -4.12 -0.06 4.77 2.81 -1.26 -4.87 117.12 111.69 3kqz n MET 392 Ca 0.03 0.55 0.13 0.00 -1.81 0.00 0.00 57.70 56.59 3kqz n MET 392 Cb 0.35 -4.92 0.53 0.00 -0.71 0.00 0.00 33.22 28.46 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 -1.84 0.88 0.00 2.02 2.10 -1.93 -1.99 117.51 116.75 3kqz h ILE 393 Ca -0.62 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.20 3kqz h ILE 393 Cb 1.36 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 3kqz h ILE 393 CO 0.57 0.06 0.00 -2.24 -1.08 0.00 0.00 178.15 175.47 3kqz h ASP 394 N 0.35 0.00 0.22 2.19 2.03 -1.96 -1.87 116.42 117.38 3kqz h ASP 394 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 3kqz h ASP 394 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 3kqz h ASP 394 CO -0.06 0.00 -0.48 -0.11 -1.03 0.00 0.00 179.24 177.55 3kqz n LEU 395 N -2.48 1.07 0.00 0.15 7.94 -0.75 -4.57 117.00 118.37 3kqz n LEU 395 Ca 0.00 -0.32 0.06 0.00 -1.11 0.00 0.00 56.01 54.64 3kqz n LEU 395 Cb 0.17 -0.11 0.32 0.00 0.53 0.00 0.00 43.42 44.33 3kqz n LEU 395 CO 0.18 0.22 0.61 0.23 -1.11 0.00 0.00 177.39 177.52 3kqz n MET 396 N -0.90 0.25 0.27 1.96 2.81 -0.70 -0.18 117.12 120.64 3kqz n MET 396 Ca 0.08 0.10 0.18 0.00 -1.81 0.00 0.00 57.70 56.26 3kqz n MET 396 Cb 0.36 -1.50 0.91 0.00 -0.71 0.00 0.00 33.22 32.29 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 -1.81 -2.74 116.57 114.15 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 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3kqz h LYS 397 CO 0.00 0.00 -0.11 1.97 -2.00 0.00 0.00 179.45 179.31 3kqz n PHE 398 N -3.33 0.00 0.33 0.07 -0.00 0.75 -3.50 117.46 111.78 3kqz n PHE 398 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 3kqz n PHE 398 Cb 0.31 -0.22 0.04 0.00 -0.00 0.00 0.00 39.48 39.62 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 -1.05 0.00 -0.10 5.98 2.03 -1.05 -0.75 116.55 121.61 3kqz n ASP 399 Ca 0.14 -0.29 0.08 0.00 0.52 0.00 0.00 54.79 55.24 3kqz n ASP 399 Cb 0.28 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.80 3kqz n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqz n MET 400 N -0.64 1.69 -0.26 -0.67 0.00 -0.82 -1.22 117.12 115.20 3kqz n MET 400 Ca 0.01 -2.38 0.03 0.00 0.00 0.00 0.00 57.70 55.36 3kqz n MET 400 Cb 0.01 -1.42 0.17 0.00 0.00 0.00 0.00 33.22 31.97 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 0.10 0.47 0.00 3.17 0.02 -1.12 0.21 113.55 116.40 3kqz h SER 401 Ca 0.00 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3kqz h SER 401 Cb 0.92 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 3kqz h SER 401 CO 0.01 0.24 -0.24 1.23 -1.14 0.00 0.00 176.83 176.93 3kqz h GLY 402 N 0.60 -0.36 0.44 -3.77 0.00 -1.75 0.19 103.07 98.42 3kqz h GLY 402 Ca 0.39 0.29 0.06 0.00 0.00 0.00 0.00 47.33 48.07 3kqz h GLY 402 CO -0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 176.54 175.99 3kqz h ALA 404 N 1.29 0.94 -0.49 0.00 0.00 -0.26 -0.55 119.26 120.20 3kqz h ALA 404 Ca 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kqz h ALA 404 Cb 0.22 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kqz h ALA 404 CO -0.29 -0.21 0.21 0.00 0.00 0.00 0.00 179.25 178.96 3kqz h ALA 405 N 1.51 0.63 -0.15 0.00 0.00 0.37 -0.22 119.26 121.40 3kqz h ALA 405 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kqz h ALA 405 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kqz h ALA 405 CO -0.38 0.22 0.10 0.28 0.00 0.00 0.00 179.25 179.47 3kqz h VAL 406 N 0.64 1.05 -0.66 0.00 2.07 -0.37 0.16 116.25 119.14 3kqz h VAL 406 Ca 0.16 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kqz h VAL 406 Cb 0.16 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3kqz h VAL 406 CO -0.02 0.05 0.44 -0.07 0.02 0.00 0.00 177.57 177.99 3kqz h LEU 407 N 0.19 0.75 -1.10 2.57 3.38 -0.86 0.31 115.31 120.55 3kqz h LEU 407 Ca 0.05 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3kqz h LEU 407 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3kqz h LEU 407 CO -0.01 0.54 -0.42 1.23 0.09 0.00 0.00 178.44 179.87 3kqz h GLY 408 N 0.89 0.07 1.14 0.83 0.00 -0.78 0.19 103.07 105.40 3kqz h GLY 408 Ca 0.25 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 3kqz h GLY 408 CO -0.06 0.06 -0.24 0.00 0.00 0.00 0.00 176.54 176.30 3kqz h ALA 410 N 0.87 1.61 -0.31 0.00 0.00 0.14 0.95 119.26 122.52 3kqz h ALA 410 Ca 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kqz h ALA 410 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kqz h ALA 410 CO 0.07 0.12 0.00 -0.92 0.00 0.00 0.00 179.25 178.53 3kqz h TYR 411 N 0.90 0.59 -0.15 0.00 3.20 -0.16 0.59 116.97 121.93 3kqz h TYR 411 Ca 0.50 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 3kqz h TYR 411 Cb 0.60 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kqz h TYR 411 CO -0.00 0.67 0.03 0.00 -1.64 0.00 0.00 178.16 177.22 3kqz h VAL 413 N 0.04 1.02 -0.15 0.00 2.07 -0.79 0.16 116.25 118.61 3kqz h VAL 413 Ca 0.05 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.36 3kqz h VAL 413 Cb 0.27 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kqz h VAL 413 CO 0.00 0.06 0.20 1.23 0.02 0.00 0.00 177.57 179.08 3kqz h GLY 414 N -0.18 0.00 0.37 2.17 0.00 -0.86 0.25 103.07 104.82 3kqz h GLY 414 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 3kqz h GLY 414 CO 0.01 0.00 -2.18 2.41 0.00 0.00 0.00 176.54 176.78 3kqz n THR 415 N -3.63 1.63 0.12 4.70 -1.04 -0.70 -4.30 114.28 111.07 3kqz n THR 415 Ca 0.01 -0.65 0.09 0.00 -2.04 0.00 0.00 64.05 61.46 3kqz n THR 415 Cb 0.31 -1.45 0.03 0.00 -1.82 0.00 0.00 70.33 67.39 3kqz n THR 415 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kqz h LEU 416 N 0.03 0.00 -2.76 -4.42 3.38 -0.27 -3.49 115.31 107.78 3kqz h LEU 416 Ca -0.48 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.18 3kqz h LEU 416 Cb 2.00 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.89 3kqz h LEU 416 CO 0.02 0.11 -0.84 0.29 0.09 0.00 0.00 178.44 178.11 3kqz n LYS 417 N -2.84 -1.78 -1.77 1.13 5.02 0.84 -4.96 118.16 113.80 3kqz n LYS 417 Ca -0.00 0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 56.69 3kqz n LYS 417 Cb 0.60 -5.12 0.05 0.00 -0.02 0.00 0.00 35.03 30.54 3kqz n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqz s PRO 418 N -4.92 2.71 0.21 1.97 0.04 -1.26 -5.02 135.00 128.73 3kqz s PRO 418 Ca 0.43 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3kqz s PRO 418 Cb -0.10 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3kqz s PRO 418 CO 0.79 -1.36 0.36 -1.21 0.04 0.00 0.00 177.00 175.62 3kqz s GLU 419 N -3.81 3.46 -1.76 4.56 2.02 -1.26 -4.53 118.70 117.38 3kqz s GLU 419 Ca 0.72 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.11 3kqz s GLU 419 Cb -0.25 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.09 3kqz s GLU 419 CO 0.39 0.43 0.00 0.09 0.02 0.00 0.00 175.26 176.19 3kqz n ASN 420 N -1.03 -5.28 -3.99 -0.19 5.03 -1.26 -4.96 115.26 103.58 3kqz n ASN 420 Ca -0.07 0.21 -0.12 0.00 0.87 0.00 0.00 54.58 55.47 3kqz n ASN 420 Cb 0.55 -4.37 -0.12 0.00 -1.02 0.00 0.00 39.78 34.82 3kqz n ASN 420 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kqz s VAL 421 N -2.80 0.31 -0.15 2.41 0.11 -1.26 -1.09 120.40 117.93 3kqz s VAL 421 Ca 0.00 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 3kqz s VAL 421 Cb 0.00 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 3kqz s VAL 421 CO 0.00 -0.23 -0.19 -0.70 -3.33 0.00 0.00 175.10 170.65 3kqz s GLU 422 N -0.95 2.72 -0.11 1.54 2.12 -0.36 -1.39 118.70 122.27 3kqz s GLU 422 Ca -0.07 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.55 3kqz s GLU 422 Cb -0.06 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.02 3kqz s GLU 422 CO -0.00 -0.11 -0.19 0.42 -0.54 0.00 0.00 175.26 174.84 3kqz s ILE 423 N 1.09 2.55 -0.16 -3.70 -1.09 0.79 -0.75 121.20 119.92 3kqz s ILE 423 Ca -0.02 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.51 3kqz s ILE 423 Cb -0.14 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.69 3kqz s ILE 423 CO -0.06 0.55 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.17 3kqz s HIS 424 N 0.24 3.05 -0.34 3.97 3.76 0.21 -0.42 115.29 125.76 3kqz s HIS 424 Ca -0.12 -0.27 -0.09 0.00 -0.15 0.00 0.00 55.06 54.43 3kqz s HIS 424 Cb -0.16 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.57 3kqz s HIS 424 CO 0.07 -0.03 0.15 -0.06 -0.85 0.00 0.00 174.74 174.02 3kqz s PHE 425 N 0.40 3.21 0.47 1.40 0.08 0.84 0.08 117.98 124.46 3kqz s PHE 425 Ca -0.03 -0.98 0.05 0.00 0.12 0.00 0.00 56.93 56.09 3kqz s PHE 425 Cb -0.14 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 3kqz s PHE 425 CO 0.03 -0.61 0.14 -0.51 -0.10 0.00 0.00 175.22 174.17 3kqz s LEU 426 N 1.52 2.75 0.00 -0.37 1.43 0.15 -0.60 118.68 123.57 3kqz s LEU 426 Ca 0.02 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 3kqz s LEU 426 Cb -0.18 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3kqz s LEU 426 CO 0.05 -0.73 0.00 -0.24 0.23 0.00 0.00 176.35 175.66 3kqz n SER 427 N -1.30 0.00 -4.57 2.29 2.88 -1.02 -2.77 113.62 109.13 3kqz n SER 427 Ca -0.07 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.30 3kqz n SER 427 Cb 0.66 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.84 0.01 -1.46 0.00 -1.26 -2.75 121.76 117.15 3kqz s ALA 428 Ca 0.00 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 3kqz s ALA 428 Cb 0.00 -4.63 -0.05 0.00 0.00 0.00 0.00 23.12 18.44 3kqz s ALA 428 CO 0.00 -6.08 0.78 0.08 0.00 0.00 0.00 175.76 170.54 3kqz s VAL 429 N 14.64 4.82 0.28 0.00 1.01 -0.67 -4.11 120.40 136.37 3kqz s VAL 429 Ca 0.83 1.64 -0.19 0.00 0.00 0.00 0.00 61.98 64.27 3kqz s VAL 429 Cb -0.08 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.24 3kqz s VAL 429 CO 0.11 0.31 0.93 0.00 0.00 0.00 0.00 175.10 176.45 3kqz s GLU 431 N -2.19 1.80 -0.46 0.00 2.12 -1.26 -1.15 118.70 117.55 3kqz s GLU 431 Ca 0.19 -0.64 -0.16 0.00 0.36 0.00 0.00 54.97 54.72 3kqz s GLU 431 Cb -0.04 -1.58 0.06 0.00 0.26 0.00 0.00 34.13 32.82 3kqz s GLU 431 CO 0.08 0.28 0.41 1.21 -0.54 0.00 0.00 175.26 176.70 3kqz s ASN 432 N -0.06 6.15 0.26 -1.70 2.47 -0.25 -4.38 114.94 117.43 3kqz s ASN 432 Ca -0.02 -1.13 0.06 0.00 0.42 0.00 0.00 52.86 52.20 3kqz s ASN 432 Cb -0.11 -2.19 -0.06 0.00 -1.45 0.00 0.00 41.25 37.44 3kqz s ASN 432 CO 0.02 -0.63 -0.07 -0.04 -3.72 0.00 0.00 177.10 172.66 3kqz s MET 433 N 1.81 1.49 -0.23 0.43 -1.94 -1.26 -1.54 119.30 118.06 3kqz s MET 433 Ca 0.06 -1.74 -0.10 0.00 -1.71 0.00 0.00 55.69 52.20 3kqz s MET 433 Cb -0.22 -1.09 -0.05 0.00 2.01 0.00 0.00 34.83 35.48 3kqz s MET 433 CO 0.09 0.05 0.15 0.08 -0.01 0.00 0.00 175.02 175.37 3kqz s VAL 434 N -3.05 5.33 0.21 -6.03 1.01 -1.26 -4.56 120.40 112.05 3kqz s VAL 434 Ca 0.28 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 3kqz s VAL 434 Cb 0.03 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.99 3kqz s VAL 434 CO 0.11 0.37 0.76 -0.55 0.00 0.00 0.00 175.10 175.79 3kqz s SER 435 N 0.86 -0.31 0.55 3.32 0.15 -1.26 -4.97 113.70 112.04 3kqz s SER 435 Ca 0.07 -0.41 0.24 0.00 0.70 0.00 0.00 55.95 56.55 3kqz s SER 435 Cb -0.13 0.63 1.47 0.00 -1.71 0.00 0.00 66.02 66.28 3kqz s SER 435 CO 0.03 -1.13 2.10 0.07 1.20 0.00 0.00 173.24 175.51 3kqz h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.97 -2.89 116.57 121.24 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 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3kqz h LYS 436 CO 0.27 0.00 -0.39 0.09 -2.00 0.00 0.00 179.45 177.42 3kqz n ASN 437 N -4.22 1.14 -4.75 7.07 3.02 -1.26 -4.98 115.26 111.28 3kqz n ASN 437 Ca 0.02 -0.92 -0.33 0.00 -0.03 0.00 0.00 54.58 53.32 3kqz n ASN 437 Cb 0.31 0.28 0.08 0.00 -0.61 0.00 0.00 39.78 39.83 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kqz s SER 438 N -2.61 4.59 0.62 6.41 0.01 -1.09 -3.69 113.70 117.93 3kqz s SER 438 Ca 0.20 2.09 -0.15 0.00 1.31 0.00 0.00 55.95 59.40 3kqz s SER 438 Cb 0.18 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 3kqz s SER 438 CO 0.58 -1.99 1.07 -0.72 0.41 0.00 0.00 173.24 172.59 3kqz s TYR 439 N -2.35 2.94 0.05 2.43 -0.00 -1.26 -4.86 117.35 114.31 3kqz s TYR 439 Ca 0.68 1.50 0.07 0.00 -0.00 0.00 0.00 57.07 59.32 3kqz s TYR 439 Cb -0.23 -3.01 -0.03 0.00 -0.00 0.00 0.00 41.96 38.70 3kqz s TYR 439 CO 0.46 -1.23 -0.19 1.03 -0.00 0.00 0.00 175.55 175.62 3kqz s ARG 440 N -4.24 1.21 0.13 -3.49 0.52 -1.26 -4.59 118.95 107.23 3kqz s ARG 440 Ca 0.63 -0.94 -0.33 0.00 -0.52 0.00 0.00 55.73 54.57 3kqz s ARG 440 Cb -0.16 -1.33 -0.17 0.00 0.52 0.00 0.00 34.95 33.80 3kqz s ARG 440 CO 0.41 0.33 0.94 -2.30 0.02 0.00 0.00 175.30 174.70 3kqz n PRO 441 N 1.69 0.47 0.00 3.54 -0.02 -1.26 -0.47 135.00 138.96 3kqz n PRO 441 Ca -0.18 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3kqz n PRO 441 Cb 0.54 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 1.83 2.87 3.58 -1.23 0.00 0.38 -5.01 105.19 107.61 3kqz n GLY 442 Ca 0.17 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 0.29 1.21 -4.56 1.61 9.92 0.38 -4.46 116.55 120.96 3kqz n ASP 443 Ca 0.00 1.17 -0.34 0.00 -0.53 0.00 0.00 54.79 55.09 3kqz n ASP 443 Cb 0.00 -1.26 -0.11 0.00 -0.64 0.00 0.00 41.12 39.11 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqz s ILE 444 N -0.82 3.98 0.03 0.53 1.01 -1.26 -1.12 121.20 123.55 3kqz s ILE 444 Ca 0.63 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3kqz s ILE 444 Cb -0.75 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3kqz s ILE 444 CO 0.58 0.54 -0.05 0.27 0.00 0.00 0.00 174.94 176.27 3kqz s ILE 445 N -0.12 0.33 -0.19 2.92 -4.36 0.13 -4.92 121.20 114.99 3kqz s ILE 445 Ca 0.03 -1.06 -0.04 0.00 -0.26 0.00 0.00 60.65 59.33 3kqz s ILE 445 Cb -0.13 -0.52 -0.02 0.00 1.25 0.00 0.00 42.46 43.05 3kqz s ILE 445 CO 0.02 -0.48 -0.04 -0.89 0.24 0.00 0.00 174.94 173.80 3kqz s THR 446 N -1.59 3.55 0.71 8.37 2.01 -1.26 0.17 115.64 127.60 3kqz s THR 446 Ca -0.11 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 3kqz s THR 446 Cb -0.09 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.85 3kqz s THR 446 CO -0.01 0.45 1.08 0.00 -0.69 0.00 0.00 174.62 175.45 3kqz s ALA 447 N 1.05 2.79 -0.13 7.40 0.00 0.38 -2.15 121.76 131.10 3kqz s ALA 447 Ca 0.01 -0.24 0.24 0.00 0.00 0.00 0.00 51.96 51.97 3kqz s ALA 447 Cb -0.15 -3.06 1.29 0.00 0.00 0.00 0.00 23.12 21.20 3kqz s ALA 447 CO 0.00 -1.19 1.73 0.66 0.00 0.00 0.00 175.76 176.97 3kqz h SER 448 N -0.69 0.00 -0.42 0.00 4.64 -1.61 0.46 113.55 115.93 3kqz h SER 448 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kqz h SER 448 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 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 2.32 0.00 4.97 6.94 -1.26 -4.94 115.26 120.95 3kqz n ASN 449 Ca -0.01 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 3kqz n ASN 449 Cb 0.05 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqz n GLY 450 N 1.20 2.04 3.71 4.83 0.00 0.16 -5.02 105.19 112.11 3kqz n GLY 450 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.38 4.21 0.13 1.61 1.02 -1.25 -4.70 119.74 120.38 3kqz s LYS 451 Ca 0.00 2.34 -0.14 0.00 0.02 0.00 0.00 55.97 58.20 3kqz s LYS 451 Cb 0.00 -3.32 -0.07 0.00 -0.52 0.00 0.00 37.83 33.92 3kqz s LYS 451 CO 0.00 -0.65 0.53 0.95 -0.92 0.00 0.00 175.35 175.26 3kqz s THR 452 N 1.69 4.89 -0.07 2.17 -4.23 -1.26 -0.47 115.64 118.36 3kqz s THR 452 Ca 0.71 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 3kqz s THR 452 Cb -0.42 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 69.72 3kqz s THR 452 CO 0.32 0.26 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.97 3kqz s ILE 453 N -1.45 0.71 -0.20 2.99 1.01 0.13 -1.80 121.20 122.59 3kqz s ILE 453 Ca 0.37 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.67 3kqz s ILE 453 Cb -0.15 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 3kqz s ILE 453 CO 0.19 0.29 0.52 -0.70 0.00 0.00 0.00 174.94 175.24 3kqz s GLU 454 N 1.31 4.19 -0.37 2.79 2.12 0.38 -0.69 118.70 128.43 3kqz s GLU 454 Ca -0.04 0.42 -0.25 0.00 0.36 0.00 0.00 54.97 55.46 3kqz s GLU 454 Cb -0.14 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.70 3kqz s GLU 454 CO -0.03 -0.15 0.89 0.08 -0.54 0.00 0.00 175.26 175.51 3kqz s VAL 455 N 1.65 4.62 -0.13 3.70 1.01 -0.28 -0.49 120.40 130.49 3kqz s VAL 455 Ca 0.24 1.13 0.19 0.00 0.00 0.00 0.00 61.98 63.54 3kqz s VAL 455 Cb -0.15 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.72 3kqz s VAL 455 CO 0.10 -0.51 0.59 0.61 0.00 0.00 0.00 175.10 175.88 3kqz n GLY 456 N 4.41 -1.13 3.51 4.51 0.00 -1.26 0.14 105.19 115.37 3kqz n GLY 456 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.32 -1.20 0.50 1.61 3.84 -1.26 -4.75 114.94 108.36 3kqz s ASN 457 Ca -0.06 1.37 0.33 0.00 0.21 0.00 0.00 52.86 54.71 3kqz s ASN 457 Cb 0.10 2.25 1.58 0.00 -0.55 0.00 0.00 41.25 44.63 3kqz s ASN 457 CO 0.84 -0.23 2.00 0.71 -2.79 0.00 0.00 177.10 177.64 3kqz h THR 458 N 5.98 0.00 -0.00 -5.21 1.35 -1.89 0.20 112.91 113.34 3kqz h THR 458 Ca -0.19 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3kqz h THR 458 Cb 1.12 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3kqz h THR 458 CO 0.14 0.00 -0.06 -0.67 -0.25 0.00 0.00 175.52 174.68 3kqz n ASP 459 N -2.81 0.18 -2.55 5.36 2.03 -0.84 -3.33 116.55 114.58 3kqz n ASP 459 Ca -0.00 -0.21 -0.30 0.00 0.52 0.00 0.00 54.79 54.79 3kqz n ASP 459 Cb 0.19 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 3kqz n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqz n ALA 460 N -1.22 6.35 0.12 -1.67 0.00 0.69 -4.60 120.51 120.19 3kqz n ALA 460 Ca 0.13 -3.27 0.03 0.00 0.00 0.00 0.00 53.44 50.33 3kqz n ALA 460 Cb 0.27 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 17.71 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 2.80 0.00 -0.26 0.00 9.09 -1.76 -3.33 114.58 121.12 3kqz h GLU 461 Ca 0.45 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.80 3kqz h GLU 461 Cb 0.54 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.62 3kqz h GLU 461 CO 1.08 0.40 -0.12 0.78 0.05 0.00 0.00 179.01 181.20 3kqz h GLY 462 N 3.60 0.47 2.00 1.06 0.00 -1.90 -1.84 103.07 106.45 3kqz h GLY 462 Ca -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3kqz h GLY 462 CO 0.05 0.29 -0.14 0.07 0.00 0.00 0.00 176.54 176.81 3kqz h ARG 463 N 0.40 0.00 0.19 4.80 0.11 -1.95 -0.36 114.38 117.58 3kqz h ARG 463 Ca 0.08 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.85 3kqz h ARG 463 Cb 0.45 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.57 3kqz h ARG 463 CO 0.03 0.14 -1.31 -0.07 0.10 0.00 0.00 179.97 178.85 3kqz h LEU 464 N 0.00 0.83 -0.23 0.08 3.38 -1.52 -0.70 115.31 117.16 3kqz h LEU 464 Ca -0.00 -0.88 -0.21 0.00 0.09 0.00 0.00 57.88 56.88 3kqz h LEU 464 Cb 0.84 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kqz h LEU 464 CO 0.02 1.64 -0.90 0.71 0.09 0.00 0.00 178.44 180.00 3kqz h THR 465 N 0.15 1.42 -0.20 0.22 1.35 -1.18 -2.98 112.91 111.70 3kqz h THR 465 Ca -0.22 -2.46 -0.09 0.00 -0.55 0.00 0.00 66.41 63.09 3kqz h THR 465 Cb 2.01 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 70.81 3kqz h THR 465 CO 0.25 0.73 -0.28 -0.07 -0.25 0.00 0.00 175.52 175.90 3kqz h LEU 466 N 0.20 0.38 -0.28 3.87 3.38 -1.11 -2.55 115.31 119.19 3kqz h LEU 466 Ca -0.06 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3kqz h LEU 466 Cb 1.53 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.11 3kqz h LEU 466 CO 0.15 0.65 -0.13 0.00 0.09 0.00 0.00 178.44 179.20 3kqz h ALA 467 N 1.38 0.10 -0.23 1.53 0.00 -0.96 0.20 119.26 121.28 3kqz h ALA 467 Ca 0.05 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3kqz h ALA 467 Cb 0.66 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3kqz h ALA 467 CO 0.05 -0.53 -0.41 -0.44 0.00 0.00 0.00 179.25 177.92 3kqz h ASP 468 N -0.09 0.59 -0.61 0.00 3.32 -1.51 -1.82 116.42 116.30 3kqz h ASP 468 Ca 0.15 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3kqz h ASP 468 Cb 0.31 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3kqz h ASP 468 CO -0.34 0.93 0.17 0.00 -1.72 0.00 0.00 179.24 178.28 3kqz h ALA 469 N 1.10 1.10 -0.56 3.45 0.00 -1.05 0.18 119.26 123.48 3kqz h ALA 469 Ca 0.04 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3kqz h ALA 469 Cb 0.91 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3kqz h ALA 469 CO 0.08 0.61 -0.03 -0.07 0.00 0.00 0.00 179.25 179.84 3kqz h LEU 470 N 0.95 0.99 -0.68 0.00 3.38 -0.40 0.74 115.31 120.30 3kqz h LEU 470 Ca 0.21 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3kqz h LEU 470 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kqz h LEU 470 CO -0.00 1.07 0.33 0.58 0.09 0.00 0.00 178.44 180.51 3kqz h VAL 471 N 0.88 1.22 -0.08 1.22 2.07 -1.10 0.23 116.25 120.70 3kqz h VAL 471 Ca 0.15 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3kqz h VAL 471 Cb 0.58 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3kqz h VAL 471 CO 0.03 0.26 -0.00 0.22 0.02 0.00 0.00 177.57 178.10 3kqz h TYR 472 N 0.94 0.15 -0.69 1.57 3.20 -0.50 -2.29 116.97 119.35 3kqz h TYR 472 Ca 0.23 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.17 3kqz h TYR 472 Cb 0.11 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 3kqz h TYR 472 CO 0.00 0.42 0.33 0.00 -1.64 0.00 0.00 178.16 177.27 3kqz h ALA 473 N 0.72 0.94 -0.57 1.82 0.00 0.67 -2.10 119.26 120.73 3kqz h ALA 473 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kqz h ALA 473 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kqz h ALA 473 CO 0.00 -0.08 0.19 1.49 0.00 0.00 0.00 179.25 180.85 3kqz h GLU 474 N 0.56 0.86 0.00 0.00 4.81 -0.79 -1.45 114.58 118.58 3kqz h GLU 474 Ca 0.34 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3kqz h GLU 474 Cb 0.37 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3kqz h GLU 474 CO -0.28 0.74 0.00 0.87 -0.73 0.00 0.00 179.01 179.61 3kqz h LYS 475 N 0.84 0.00 0.00 1.92 1.57 -0.80 -0.56 116.57 119.54 3kqz h LYS 475 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3kqz h LYS 475 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kqz h LYS 475 CO -0.01 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.80 3kqz h LEU 476 N 0.00 0.00 -2.50 2.94 3.38 -0.92 -3.48 115.31 114.73 3kqz h LEU 476 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3kqz h LEU 476 Cb 0.26 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.11 3kqz h LEU 476 CO 0.00 0.00 -0.43 0.61 0.09 0.00 0.00 178.44 178.71 3kqz n GLY 477 N 0.33 -0.11 3.95 0.83 0.00 -0.22 -5.05 105.19 104.92 3kqz n GLY 477 Ca 0.02 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3kqz n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqz s VAL 478 N -3.20 4.53 0.13 1.61 -7.23 -1.26 -4.93 120.40 110.04 3kqz s VAL 478 Ca 0.18 -1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 3kqz s VAL 478 Cb -0.02 -3.56 -0.17 0.00 0.56 0.00 0.00 36.38 33.18 3kqz s VAL 478 CO 0.38 -0.25 1.32 0.44 -0.31 0.00 0.00 175.10 176.68 3kqz h ASP 479 N 1.11 0.60 -3.79 4.85 3.32 -0.52 -3.47 116.42 118.53 3kqz h ASP 479 Ca -0.48 -0.46 -0.30 0.00 0.02 0.00 0.00 57.03 55.81 3kqz h ASP 479 Cb 1.24 -0.18 -0.29 0.00 0.22 0.00 0.00 39.33 40.32 3kqz h ASP 479 CO 0.58 1.24 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.29 3kqz s TYR 480 N -3.38 0.31 -0.22 4.55 2.02 -1.09 -3.71 117.35 115.83 3kqz s TYR 480 Ca -0.07 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3kqz s TYR 480 Cb 0.09 -0.24 0.02 0.00 -0.40 0.00 0.00 41.96 41.43 3kqz s TYR 480 CO 0.87 -0.03 -0.09 0.42 -1.57 0.00 0.00 175.55 175.15 3kqz s ILE 481 N 0.09 2.78 -0.20 2.71 1.01 -0.65 -0.32 121.20 126.62 3kqz s ILE 481 Ca -0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 3kqz s ILE 481 Cb -0.03 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 3kqz s ILE 481 CO -0.00 0.33 -0.07 -0.69 0.00 0.00 0.00 174.94 174.51 3kqz s VAL 482 N 1.35 3.18 0.21 2.92 1.01 0.17 -0.59 120.40 128.65 3kqz s VAL 482 Ca 0.03 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3kqz s VAL 482 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3kqz s VAL 482 CO -0.06 0.45 0.26 1.51 0.00 0.00 0.00 175.10 177.26 3kqz s ASP 483 N 1.26 5.96 -0.02 3.32 1.47 0.36 -0.17 116.67 128.85 3kqz s ASP 483 Ca 0.03 -0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.73 3kqz s ASP 483 Cb -0.14 -1.67 0.02 0.00 -0.34 0.00 0.00 42.92 40.79 3kqz s ASP 483 CO -0.03 -0.01 0.02 -0.51 0.68 0.00 0.00 175.17 175.32 3kqz s ILE 484 N -1.93 -0.04 -0.27 2.11 2.07 0.83 -1.25 121.20 122.72 3kqz s ILE 484 Ca 0.33 0.16 -0.24 0.00 -1.41 0.00 0.00 60.65 59.49 3kqz s ILE 484 Cb -0.09 -0.07 0.07 0.00 0.13 0.00 0.00 42.46 42.50 3kqz s ILE 484 CO 0.27 0.07 0.72 0.00 -1.91 0.00 0.00 174.94 174.09 3kqz s ALA 485 N 0.80 -1.80 -1.32 1.50 0.00 -0.46 -1.11 121.76 119.38 3kqz s ALA 485 Ca -0.07 2.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.83 3kqz s ALA 485 Cb -0.10 -1.22 0.10 0.00 0.00 0.00 0.00 23.12 21.90 3kqz s ALA 485 CO -0.02 -0.34 1.81 0.25 0.00 0.00 0.00 175.76 177.45 3kqz n THR 486 N 2.93 3.94 -0.06 0.00 -2.24 -1.26 0.37 114.28 117.97 3kqz n THR 486 Ca -0.15 -4.01 -0.22 0.00 -2.27 0.00 0.00 64.05 57.40 3kqz n THR 486 Cb 0.56 -2.44 -0.13 0.00 -2.10 0.00 0.00 70.33 66.22 3kqz n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kqz n LEU 487 N 6.73 2.31 -3.86 3.22 7.94 -1.26 -4.67 117.00 127.41 3kqz n LEU 487 Ca 0.46 0.28 -0.23 0.00 -1.11 0.00 0.00 56.01 55.41 3kqz n LEU 487 Cb 0.42 -1.03 -0.17 0.00 0.53 0.00 0.00 43.42 43.18 3kqz n LEU 487 CO 0.78 0.61 -0.41 0.42 -1.11 0.00 0.00 177.39 177.68 3kqz s THR 488 N -2.48 0.61 0.57 1.96 -4.23 -1.26 -4.95 115.64 105.87 3kqz s THR 488 Ca -0.27 -0.09 0.28 0.00 -1.18 0.00 0.00 61.69 60.43 3kqz s THR 488 Cb 0.07 -0.68 0.38 0.00 1.34 0.00 0.00 72.50 73.62 3kqz s THR 488 CO 0.67 0.27 1.98 1.23 -0.54 0.00 0.00 174.62 178.23 3kqz h GLY 489 N 7.76 0.00 1.48 3.99 0.00 -1.92 -1.82 103.07 112.55 3kqz h GLY 489 Ca -0.29 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.08 3kqz h GLY 489 CO 0.38 0.00 0.22 0.00 0.00 0.00 0.00 176.54 177.15 3kqz h ALA 490 N 1.61 1.63 -0.42 3.60 0.00 -1.96 0.90 119.26 124.62 3kqz h ALA 490 Ca 0.19 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3kqz h ALA 490 Cb 0.96 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3kqz h ALA 490 CO -0.00 -0.29 0.30 0.52 0.00 0.00 0.00 179.25 179.77 3kqz h MET 491 N 0.00 0.05 0.00 0.00 2.86 -1.72 0.33 114.93 116.46 3kqz h MET 491 Ca 0.07 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3kqz h MET 491 Cb 0.51 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3kqz h MET 491 CO -0.00 0.04 -0.37 -0.07 1.06 0.00 0.00 176.91 177.57 3kqz h LEU 492 N 0.05 0.00 0.00 1.22 3.38 -1.03 -0.00 115.31 118.93 3kqz h LEU 492 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kqz h LEU 492 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3kqz h LEU 492 CO -0.01 0.37 -0.88 -1.22 0.09 0.00 0.00 178.44 176.78 3kqz n TYR 493 N -3.67 0.55 0.00 1.13 4.02 0.11 -3.38 117.16 115.92 3kqz n TYR 493 Ca -0.01 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 3kqz n TYR 493 Cb 0.47 -0.65 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 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 -2.20 0.00 0.04 7.72 3.41 -0.51 -4.79 113.62 117.28 3kqz n SER 494 Ca 0.02 0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 3kqz n SER 494 Cb 0.47 -0.36 0.06 0.00 -0.26 0.00 0.00 64.21 64.12 3kqz n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 495 N -2.15 0.64 0.00 1.04 4.77 -0.87 -5.08 117.00 115.34 3kqz n LEU 495 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3kqz n LEU 495 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3kqz n LEU 495 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3kqz n GLY 496 N 1.35 -0.20 0.02 -0.72 0.00 -0.07 -4.22 105.19 101.35 3kqz n GLY 496 Ca 0.02 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 0.10 -0.11 2.61 -2.24 -1.26 -4.32 114.28 109.06 3kqz n THR 497 Ca 0.00 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 3kqz n THR 497 Cb 0.00 0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.74 1.57 -4.64 3.42 7.64 -1.26 -4.28 113.62 114.32 3kqz n SER 498 Ca 0.04 -0.07 -0.34 0.00 1.01 0.00 0.00 58.87 59.51 3kqz n SER 498 Cb 0.38 -0.16 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.52 3.06 0.45 1.43 1.51 -1.26 -4.53 117.35 115.48 3kqz s TYR 499 Ca -0.28 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 3kqz s TYR 499 Cb 0.08 -1.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 3kqz s TYR 499 CO 0.67 0.41 0.70 0.00 -1.11 0.00 0.00 175.55 176.22 3kqz s ALA 500 N -0.88 3.57 -0.11 3.71 0.00 -0.40 -4.60 121.76 123.06 3kqz s ALA 500 Ca 0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 3kqz s ALA 500 Cb -0.11 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3kqz s ALA 500 CO 0.03 -0.31 0.05 0.20 0.00 0.00 0.00 175.76 175.73 3kqz s GLY 501 N -4.14 1.95 -0.12 0.00 0.00 -1.08 0.79 107.32 104.72 3kqz s GLY 501 Ca 0.46 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.46 3kqz s GLY 501 CO 0.40 -0.41 -0.22 0.54 0.00 0.00 0.00 173.10 173.41 3kqz s VAL 502 N -0.71 2.00 0.37 1.40 0.11 -0.14 0.40 120.40 123.83 3kqz s VAL 502 Ca 0.12 -0.96 0.08 0.00 -2.93 0.00 0.00 61.98 58.29 3kqz s VAL 502 Cb -0.12 -1.76 -0.06 0.00 -1.53 0.00 0.00 36.38 32.91 3kqz s VAL 502 CO 0.02 0.54 -0.00 -0.36 -3.33 0.00 0.00 175.10 171.98 3kqz s PHE 503 N 0.66 2.50 -0.68 1.54 0.08 0.14 -1.14 117.98 121.09 3kqz s PHE 503 Ca -0.11 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.40 3kqz s PHE 503 Cb -0.16 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 3kqz s PHE 503 CO 0.02 0.47 0.00 0.41 -0.10 0.00 0.00 175.22 176.01 3kqz n GLY 504 N -0.94 -1.30 0.54 4.36 0.00 -1.26 -0.53 105.19 106.05 3kqz n GLY 504 Ca -0.04 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 45.05 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 0.41 2.64 -3.66 1.61 6.94 -0.76 -4.78 115.26 117.66 3kqz n ASN 505 Ca 0.00 -1.89 -0.11 0.00 -0.02 0.00 0.00 54.58 52.56 3kqz n ASN 505 Cb 0.00 -0.17 -0.11 0.00 -2.36 0.00 0.00 39.78 37.14 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kqz s ASN 506 N -0.97 0.03 0.23 0.53 3.84 -1.26 -4.85 114.94 112.50 3kqz s ASN 506 Ca 0.19 0.80 0.05 0.00 0.21 0.00 0.00 52.86 54.12 3kqz s ASN 506 Cb 0.10 1.04 0.24 0.00 -0.55 0.00 0.00 41.25 42.08 3kqz s ASN 506 CO 0.14 -0.24 1.55 -0.08 -2.79 0.00 0.00 177.10 175.68 3kqz h GLU 507 N 8.22 0.20 -0.35 0.43 4.81 -1.96 -0.86 114.58 125.08 3kqz h GLU 507 Ca -0.15 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 3kqz h GLU 507 Cb 1.11 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3kqz h GLU 507 CO 0.13 0.76 0.08 1.49 -0.73 0.00 0.00 179.01 180.74 3kqz h GLU 508 N 0.14 0.56 -0.21 1.92 4.81 -1.99 -0.75 114.58 119.07 3kqz h GLU 508 Ca -0.01 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3kqz h GLU 508 Cb 1.14 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3kqz h GLU 508 CO 0.10 0.61 0.07 1.25 -0.73 0.00 0.00 179.01 180.31 3kqz h LEU 509 N 0.41 0.29 -0.70 1.64 5.85 -1.92 -1.82 115.31 119.06 3kqz h LEU 509 Ca 0.11 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3kqz h LEU 509 Cb 0.31 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3kqz h LEU 509 CO 0.00 0.40 0.39 0.40 -0.34 0.00 0.00 178.44 179.29 3kqz h ILE 510 N 0.17 0.95 -0.79 4.05 2.04 -1.07 -0.54 117.51 122.32 3kqz h ILE 510 Ca 0.07 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kqz h ILE 510 Cb 0.21 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3kqz h ILE 510 CO -0.00 0.13 0.48 0.78 0.00 0.00 0.00 178.15 179.53 3kqz h ASN 511 N 0.71 0.94 -0.59 1.72 2.35 -0.94 -0.39 115.58 119.38 3kqz h ASN 511 Ca 0.32 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3kqz h ASN 511 Cb 0.22 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3kqz h ASN 511 CO -0.20 0.72 0.01 0.11 -1.65 0.00 0.00 177.43 176.42 3kqz h LYS 512 N 1.08 1.05 -0.71 0.81 1.57 -0.45 0.14 116.57 120.06 3kqz h LYS 512 Ca 0.28 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3kqz h LYS 512 Cb -0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3kqz h LYS 512 CO -0.05 1.02 0.36 0.82 -0.57 0.00 0.00 179.45 181.03 3kqz h ILE 513 N 0.96 1.23 -0.37 1.86 1.08 -0.67 -0.66 117.51 120.94 3kqz h ILE 513 Ca 0.17 -0.61 -0.11 0.00 -0.39 0.00 0.00 64.86 63.92 3kqz h ILE 513 Cb 0.54 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3kqz h ILE 513 CO 0.03 0.26 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.46 3kqz h LEU 514 N 0.99 0.73 0.24 1.44 3.38 -0.53 0.48 115.31 122.03 3kqz h LEU 514 Ca 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kqz h LEU 514 Cb 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3kqz h LEU 514 CO -0.04 0.93 -0.11 -0.61 0.09 0.00 0.00 178.44 178.70 3kqz h GLN 515 N 0.63 -0.31 -0.56 1.13 5.75 -0.50 -1.82 115.11 119.42 3kqz h GLN 515 Ca 0.09 0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.77 3kqz h GLN 515 Cb 0.71 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 3kqz h GLN 515 CO 0.05 -0.17 0.41 0.77 -2.65 0.00 0.00 178.83 177.24 3kqz h SER 516 N -0.37 0.00 -0.09 -0.69 0.02 -0.73 -0.97 113.55 110.72 3kqz h SER 516 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3kqz h SER 516 Cb 0.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3kqz h SER 516 CO 0.05 0.00 0.01 -1.28 -1.14 0.00 0.00 176.83 174.47 3kqz h SER 517 N 0.00 0.14 -0.37 3.07 0.87 -0.29 0.41 113.55 117.39 3kqz h SER 517 Ca 0.27 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3kqz h SER 517 Cb 1.08 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 3kqz h SER 517 CO -0.00 0.38 0.22 0.11 -0.53 0.00 0.00 176.83 177.01 3kqz h LYS 518 N -0.10 0.44 0.00 2.24 1.57 -0.41 0.58 116.57 120.89 3kqz h LYS 518 Ca 0.03 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3kqz h LYS 518 Cb 0.30 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3kqz h LYS 518 CO 0.00 0.29 -1.14 1.79 -0.57 0.00 0.00 179.45 179.82 3kqz h THR 519 N 0.45 1.47 0.00 -0.16 1.35 -1.20 -2.85 112.91 111.97 3kqz h THR 519 Ca 0.14 -3.19 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 3kqz h THR 519 Cb -0.00 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3kqz h THR 519 CO -0.06 0.84 0.00 0.77 -0.25 0.00 0.00 175.52 176.82 3kqz h SER 520 N 0.00 0.00 -1.31 5.36 4.64 -0.93 -3.46 113.55 117.85 3kqz h SER 520 Ca -0.07 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.84 3kqz h SER 520 Cb 1.80 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.76 3kqz h SER 520 CO 0.11 0.00 -0.40 0.59 -0.87 0.00 0.00 176.83 176.27 3kqz n ASN 521 N -2.91 -5.48 -4.36 4.97 3.02 0.18 -4.88 115.26 105.80 3kqz n ASN 521 Ca 0.03 0.40 -0.44 0.00 -0.03 0.00 0.00 54.58 54.54 3kqz n ASN 521 Cb 0.41 -4.70 -0.08 0.00 -0.61 0.00 0.00 39.78 34.80 3kqz n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqz s GLU 522 N -3.94 2.92 0.09 3.52 2.02 -1.13 -4.96 118.70 117.22 3kqz s GLU 522 Ca 0.00 -1.42 -0.31 0.00 0.02 0.00 0.00 54.97 53.26 3kqz s GLU 522 Cb 0.00 -4.10 -0.07 0.00 0.10 0.00 0.00 34.13 30.06 3kqz s GLU 522 CO 0.00 -1.06 1.39 -1.25 0.02 0.00 0.00 175.26 174.36 3kqz s PRO 523 N 1.60 4.32 -0.02 0.39 0.04 -1.26 -4.60 135.00 135.47 3kqz s PRO 523 Ca 0.04 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.17 3kqz s PRO 523 Cb -0.25 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 3kqz s PRO 523 CO 0.05 -0.45 -0.14 0.08 0.04 0.00 0.00 177.00 176.58 3kqz s VAL 524 N 1.33 1.09 0.01 -0.36 1.01 -1.26 -1.27 120.40 120.95 3kqz s VAL 524 Ca 0.64 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.13 3kqz s VAL 524 Cb -0.36 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3kqz s VAL 524 CO 0.30 0.31 -0.25 0.86 0.00 0.00 0.00 175.10 176.32 3kqz s TRP 525 N -0.23 2.21 -0.10 5.22 -0.11 0.24 -4.90 118.94 121.26 3kqz s TRP 525 Ca 0.04 -0.41 -0.24 0.00 1.22 0.00 0.00 56.10 56.70 3kqz s TRP 525 Cb -0.06 -1.37 -0.03 0.00 -1.50 0.00 0.00 33.47 30.50 3kqz s TRP 525 CO -0.00 0.04 0.75 -0.46 -4.62 0.00 0.00 176.95 172.66 3kqz s TRP 526 N -0.69 3.52 0.09 5.86 -0.00 -1.26 -0.97 118.94 125.48 3kqz s TRP 526 Ca 0.10 1.25 0.08 0.00 -0.00 0.00 0.00 56.10 57.53 3kqz s TRP 526 Cb -0.10 -2.89 -0.03 0.00 -0.00 0.00 0.00 33.47 30.45 3kqz s TRP 526 CO 0.01 -0.04 -0.20 -0.51 -0.00 0.00 0.00 176.95 176.21 3kqz s LEU 527 N 1.32 2.28 0.24 5.86 1.43 -0.29 -4.91 118.68 124.60 3kqz s LEU 527 Ca 0.38 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 3kqz s LEU 527 Cb -0.17 -0.83 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 3kqz s LEU 527 CO 0.16 0.05 0.65 -2.16 0.23 0.00 0.00 176.35 175.28 3kqz s PRO 528 N -1.79 4.01 -0.57 1.29 0.04 -1.26 -4.36 135.00 132.37 3kqz s PRO 528 Ca 0.05 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 3kqz s PRO 528 Cb -0.10 -2.69 0.08 0.00 0.04 0.00 0.00 34.50 31.83 3kqz s PRO 528 CO 0.04 0.32 0.72 0.42 0.04 0.00 0.00 177.00 178.53 3kqz s ILE 529 N -1.72 4.76 -0.59 0.56 1.01 -1.26 -4.83 121.20 119.12 3kqz s ILE 529 Ca 0.46 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 3kqz s ILE 529 Cb -0.13 -4.45 0.03 0.00 0.01 0.00 0.00 42.46 37.93 3kqz s ILE 529 CO 0.19 -1.05 1.16 -0.63 0.00 0.00 0.00 174.94 174.62 3kqz s ILE 530 N 2.90 4.05 0.48 2.92 1.01 -1.26 -4.90 121.20 126.40 3kqz s ILE 530 Ca 0.15 0.77 0.17 0.00 0.00 0.00 0.00 60.65 61.74 3kqz s ILE 530 Cb -0.21 -4.72 0.23 0.00 0.01 0.00 0.00 42.46 37.78 3kqz s ILE 530 CO 0.09 -1.35 2.07 0.78 0.00 0.00 0.00 174.94 176.53 3kqz h ASN 531 N 9.55 0.00 -0.21 3.58 2.35 -1.99 -1.78 115.58 127.08 3kqz h ASN 531 Ca -0.25 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.56 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 1.18 0.11 0.34 -0.08 -1.65 0.00 0.00 177.43 177.33 3kqz h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.04 0.42 114.58 118.58 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 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3kqz h GLU 532 CO 0.01 0.00 -0.22 0.66 -0.73 0.00 0.00 179.01 178.74 3kqz n TYR 533 N -3.42 0.23 -0.33 0.92 4.01 -0.67 -4.13 117.16 113.77 3kqz n TYR 533 Ca 0.03 0.07 0.10 0.00 -0.16 0.00 0.00 57.90 57.94 3kqz n TYR 533 Cb 0.46 -0.53 0.28 0.00 -0.31 0.00 0.00 39.34 39.24 3kqz n TYR 533 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kqz h ARG 534 N 0.00 0.67 0.00 -0.72 9.65 -1.07 -1.52 114.38 121.39 3kqz h ARG 534 Ca 0.00 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3kqz h ARG 534 Cb 0.57 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 3kqz h ARG 534 CO 0.00 0.44 -0.08 0.00 2.80 0.00 0.00 179.97 183.13 3kqz h ALA 535 N 1.61 1.53 0.00 2.80 0.00 -1.77 0.16 119.26 123.59 3kqz h ALA 535 Ca 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3kqz h ALA 535 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kqz h ALA 535 CO -0.38 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.22 3kqz n THR 536 N -3.95 0.41 0.24 0.00 -2.24 -0.57 -1.02 114.28 107.15 3kqz n THR 536 Ca -0.02 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 3kqz n THR 536 Cb 0.17 -0.74 0.27 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.39 3.25 -4.57 3.22 4.77 0.56 -4.19 117.00 118.65 3kqz n LEU 537 Ca 0.08 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 54.13 3kqz n LEU 537 Cb 0.21 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3kqz n LEU 537 CO 0.18 0.76 1.24 0.20 -1.33 0.00 0.00 177.39 178.44 3kqz s ASN 538 N -1.25 6.12 0.25 -1.43 0.01 -0.19 -0.92 114.94 117.53 3kqz s ASN 538 Ca 0.40 0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 52.37 3kqz s ASN 538 Cb 0.22 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 39.24 3kqz s ASN 538 CO 0.30 -1.75 1.04 -0.55 -1.51 0.00 0.00 177.10 174.63 3kqz s SER 539 N 4.32 7.42 0.36 -1.22 0.15 -1.26 -4.81 113.70 118.66 3kqz s SER 539 Ca 0.48 2.12 0.06 0.00 0.70 0.00 0.00 55.95 59.31 3kqz s SER 539 Cb -0.10 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 62.28 3kqz s SER 539 CO 0.23 -0.03 1.91 0.50 1.20 0.00 0.00 173.24 177.05 3kqz h LYS 540 N 4.13 0.45 0.00 5.44 1.63 -1.96 -3.38 116.57 122.87 3kqz h LYS 540 Ca -0.46 -0.09 -0.22 0.00 -0.85 0.00 0.00 60.65 59.04 3kqz h LYS 540 Cb 1.21 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 3kqz h LYS 540 CO 0.68 0.48 -1.84 0.66 -3.45 0.00 0.00 179.45 175.98 3kqz n TYR 541 N -4.31 0.00 -3.20 1.91 4.01 -1.26 -5.04 117.16 109.27 3kqz n TYR 541 Ca 0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.56 3kqz n TYR 541 Cb 0.22 -0.56 0.01 0.00 -0.31 0.00 0.00 39.34 38.69 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 -2.29 4.18 0.43 -0.72 0.00 -1.26 -4.99 121.76 117.11 3kqz s ALA 542 Ca -0.20 -1.41 0.13 0.00 0.00 0.00 0.00 51.96 50.48 3kqz s ALA 542 Cb 0.05 -1.80 1.01 0.00 0.00 0.00 0.00 23.12 22.39 3kqz s ALA 542 CO 0.34 -0.22 1.98 -0.44 0.00 0.00 0.00 175.76 177.42 3kqz h ASP 543 N 0.66 0.38 -3.59 0.00 3.32 -1.77 -3.37 116.42 112.06 3kqz h ASP 543 Ca -0.44 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 3kqz h ASP 543 Cb 1.26 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 3kqz h ASP 543 CO 0.52 0.23 -0.02 -0.51 -1.72 0.00 0.00 179.24 177.75 3kqz s ILE 544 N -5.40 -0.00 0.27 0.35 2.07 -0.75 -4.43 121.20 113.31 3kqz s ILE 544 Ca -0.08 0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 58.88 3kqz s ILE 544 Cb 0.19 -0.88 -0.10 0.00 0.13 0.00 0.00 42.46 41.80 3kqz s ILE 544 CO 0.75 0.00 1.34 0.20 -1.91 0.00 0.00 174.94 175.32 3kqz s ASN 545 N 0.85 6.79 0.19 4.50 0.01 -0.10 -0.47 114.94 126.72 3kqz s ASN 545 Ca -0.04 2.59 -0.12 0.00 -0.71 0.00 0.00 52.86 54.58 3kqz s ASN 545 Cb -0.05 -2.63 0.13 0.00 0.41 0.00 0.00 41.25 39.11 3kqz s ASN 545 CO -0.07 -0.56 1.83 -0.61 -1.51 0.00 0.00 177.10 176.18 3kqz h GLN 546 N 4.37 0.69 -5.35 -0.60 4.15 -1.11 -3.46 115.11 113.80 3kqz h GLN 546 Ca -0.47 -0.04 -0.44 0.00 0.77 0.00 0.00 58.65 58.47 3kqz h GLN 546 Cb 1.22 -0.16 -0.14 0.00 0.21 0.00 0.00 27.48 28.61 3kqz h GLN 546 CO 0.72 0.46 -0.68 0.96 -1.93 0.00 0.00 178.83 178.36 3kqz s ILE 547 N -6.13 1.44 0.03 2.39 -4.36 -1.26 -4.91 121.20 108.39 3kqz s ILE 547 Ca -0.13 -2.11 -0.21 0.00 -0.26 0.00 0.00 60.65 57.95 3kqz s ILE 547 Cb 0.14 -2.29 -0.06 0.00 1.25 0.00 0.00 42.46 41.50 3kqz s ILE 547 CO 0.75 -0.40 0.61 -0.55 0.24 0.00 0.00 174.94 175.59 3kqz s SER 548 N -3.36 7.03 0.28 4.36 0.15 -1.26 -4.75 113.70 116.15 3kqz s SER 548 Ca 0.27 1.23 0.22 0.00 0.70 0.00 0.00 55.95 58.37 3kqz s SER 548 Cb 0.03 -2.38 0.10 0.00 -1.71 0.00 0.00 66.02 62.07 3kqz s SER 548 CO 0.09 0.14 1.22 0.77 1.20 0.00 0.00 173.24 176.66 3kqz h SER 549 N 5.31 0.00 0.01 5.45 4.64 -2.01 -3.40 113.55 123.55 3kqz h SER 549 Ca -0.46 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.47 3kqz h SER 549 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 3kqz h SER 549 CO 0.68 0.02 -2.45 -1.54 -0.87 0.00 0.00 176.83 172.67 3kqz n SER 550 N -2.82 1.84 -4.61 4.97 3.41 -1.26 -4.96 113.62 110.19 3kqz n SER 550 Ca 0.01 -0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 3kqz n SER 550 Cb 0.55 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.52 4.72 -1.53 -3.33 1.01 -1.26 -4.91 120.40 112.58 3kqz s VAL 551 Ca -0.33 1.23 0.30 0.00 0.00 0.00 0.00 61.98 63.18 3kqz s VAL 551 Cb 0.09 -4.22 0.57 0.00 0.00 0.00 0.00 36.38 32.82 3kqz s VAL 551 CO 0.62 -0.34 2.04 0.29 0.00 0.00 0.00 175.10 177.72 3kqz n LYS 552 N 6.40 0.51 -2.34 2.72 5.02 -1.26 -4.54 118.16 124.67 3kqz n LYS 552 Ca 0.05 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 3kqz n LYS 552 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqz n ALA 553 N -1.24 4.39 -0.00 7.82 0.00 -1.26 -4.77 120.51 125.44 3kqz n ALA 553 Ca 0.15 -3.96 -0.05 0.00 0.00 0.00 0.00 53.44 49.59 3kqz n ALA 553 Cb 0.21 -3.45 0.16 0.00 0.00 0.00 0.00 19.45 16.37 3kqz n ALA 553 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kqz h SER 554 N 6.85 0.55 -0.16 0.00 0.02 -1.97 -1.37 113.55 117.48 3kqz h SER 554 Ca 0.46 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3kqz h SER 554 Cb 0.78 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 3kqz h SER 554 CO 1.58 0.82 -0.09 0.28 -1.14 0.00 0.00 176.83 178.28 3kqz h SER 555 N 0.47 0.48 0.04 3.07 0.02 -1.93 0.38 113.55 116.07 3kqz h SER 555 Ca 0.06 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 3kqz h SER 555 Cb 0.75 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.17 3kqz h SER 555 CO 0.06 0.61 -0.58 0.40 -1.14 0.00 0.00 176.83 176.17 3kqz h ILE 556 N 0.47 1.49 -0.50 3.27 2.04 -1.67 -2.24 117.51 120.36 3kqz h ILE 556 Ca 0.09 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.75 3kqz h ILE 556 Cb 0.44 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3kqz h ILE 556 CO 0.02 0.63 0.32 0.58 0.00 0.00 0.00 178.15 179.70 3kqz h VAL 557 N -0.28 1.14 -0.78 1.67 2.07 -1.02 -0.31 116.25 118.74 3kqz h VAL 557 Ca -0.08 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kqz h VAL 557 Cb 1.35 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3kqz h VAL 557 CO 0.11 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.33 3kqz h ALA 558 N 1.17 0.99 -0.55 1.67 0.00 -0.23 -0.11 119.26 122.18 3kqz h ALA 558 Ca 0.18 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3kqz h ALA 558 Cb -0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 3kqz h ALA 558 CO -0.04 0.43 0.25 0.77 0.00 0.00 0.00 179.25 180.66 3kqz h SER 559 N 1.06 0.31 -0.97 0.00 0.02 -0.73 0.52 113.55 113.75 3kqz h SER 559 Ca 0.28 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3kqz h SER 559 Cb -0.08 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 3kqz h SER 559 CO -0.06 0.20 0.62 0.25 -1.14 0.00 0.00 176.83 176.71 3kqz h LEU 560 N 0.46 1.14 0.27 5.07 5.85 -0.28 -0.05 115.31 127.78 3kqz h LEU 560 Ca 0.26 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kqz h LEU 560 Cb 0.24 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3kqz h LEU 560 CO -0.22 0.85 -0.13 0.15 -0.34 0.00 0.00 178.44 178.75 3kqz h PHE 561 N 1.33 -0.33 -0.58 1.25 3.04 -0.36 -2.86 116.94 118.43 3kqz h PHE 561 Ca 0.35 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.38 3kqz h PHE 561 Cb -0.11 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 3kqz h PHE 561 CO 0.00 -0.09 0.39 -0.07 -2.02 0.00 0.00 178.31 176.52 3kqz h LEU 562 N -0.52 0.41 -1.72 0.59 3.38 -0.58 -2.12 115.31 114.75 3kqz h LEU 562 Ca -0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kqz h LEU 562 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kqz h LEU 562 CO 0.06 0.26 -0.17 0.50 0.09 0.00 0.00 178.44 179.18 3kqz h LYS 563 N 0.46 0.00 0.00 1.13 3.64 -0.77 -1.04 116.57 119.99 3kqz h LYS 563 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3kqz h LYS 563 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3kqz h LYS 563 CO -0.07 0.17 0.00 0.39 -2.27 0.00 0.00 179.45 177.67 3kqz n GLU 564 N -4.12 0.12 -0.20 1.90 -0.58 -0.80 -2.57 120.64 114.39 3kqz n GLU 564 Ca -0.02 0.55 0.06 0.00 -0.42 0.00 0.00 57.16 57.33 3kqz n GLU 564 Cb 0.25 -1.83 0.17 0.00 -0.57 0.00 0.00 31.44 29.46 3kqz n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kqz n PHE 565 N -2.07 0.52 -3.96 -0.32 3.01 -0.39 -4.78 117.46 109.46 3kqz n PHE 565 Ca -0.00 -0.48 -0.31 0.00 1.01 0.00 0.00 57.45 57.67 3kqz n PHE 565 Cb 0.07 -0.02 -0.15 0.00 -0.01 0.00 0.00 39.48 39.37 3kqz n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqz s VAL 566 N -1.00 1.70 -0.01 -4.37 1.01 -1.06 -3.90 120.40 112.76 3kqz s VAL 566 Ca 0.26 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 3kqz s VAL 566 Cb 0.14 -1.97 -0.21 0.00 0.00 0.00 0.00 36.38 34.33 3kqz s VAL 566 CO 0.18 -0.16 1.13 1.56 0.00 0.00 0.00 175.10 177.81 3kqz h GLN 567 N 7.89 0.29 0.00 2.72 7.50 -1.86 -3.44 115.11 128.21 3kqz h GLN 567 Ca -0.17 -0.26 0.00 0.00 0.50 0.00 0.00 58.65 58.72 3kqz h GLN 567 Cb 1.06 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.65 3kqz h GLN 567 CO 0.43 0.93 -0.24 0.09 -1.50 0.00 0.00 178.83 178.54 3kqz n ASN 568 N -4.43 0.00 -4.23 1.46 3.02 -1.26 -5.09 115.26 104.73 3kqz n ASN 568 Ca -0.09 -1.49 -0.27 0.00 -0.03 0.00 0.00 54.58 52.70 3kqz n ASN 568 Cb 0.52 -0.10 -0.16 0.00 -0.61 0.00 0.00 39.78 39.44 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kqz s THR 569 N 0.00 1.67 0.12 3.41 2.01 -1.26 -5.07 115.64 116.52 3kqz s THR 569 Ca 0.00 -0.92 -0.32 0.00 0.31 0.00 0.00 61.69 60.77 3kqz s THR 569 Cb 0.00 -1.39 -0.11 0.00 0.01 0.00 0.00 72.50 71.01 3kqz s THR 569 CO 0.00 0.46 1.81 0.00 -0.69 0.00 0.00 174.62 176.20 3kqz n ALA 570 N 2.53 2.13 -2.89 7.40 0.00 -1.24 -4.90 120.51 123.54 3kqz n ALA 570 Ca -0.15 0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 3kqz n ALA 570 Cb 0.53 -2.56 -0.14 0.00 0.00 0.00 0.00 19.45 17.27 3kqz n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kqz s TRP 571 N 2.51 0.28 0.14 0.00 -0.00 -1.26 -1.64 118.94 118.96 3kqz s TRP 571 Ca 0.82 -0.05 0.05 0.00 -0.00 0.00 0.00 56.10 56.92 3kqz s TRP 571 Cb -0.51 -0.20 -0.04 0.00 -0.00 0.00 0.00 33.47 32.72 3kqz s TRP 571 CO 0.38 -0.02 -0.12 0.00 -0.00 0.00 0.00 176.95 177.18 3kqz s ALA 572 N 0.03 1.51 -0.04 5.86 0.00 0.24 -1.83 121.76 127.53 3kqz s ALA 572 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 3kqz s ALA 572 Cb -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.10 3kqz s ALA 572 CO -0.00 0.02 0.02 -1.58 0.00 0.00 0.00 175.76 174.22 3kqz s HIS 573 N -2.65 0.24 -0.27 0.00 2.46 0.31 -0.49 115.29 114.89 3kqz s HIS 573 Ca 0.13 0.07 -0.00 0.00 0.47 0.00 0.00 55.06 55.72 3kqz s HIS 573 Cb -0.02 -0.46 0.05 0.00 -0.13 0.00 0.00 32.58 32.02 3kqz s HIS 573 CO 0.02 -0.17 -0.05 0.42 -2.47 0.00 0.00 174.74 172.49 3kqz s ILE 574 N 1.50 2.70 -0.37 0.89 1.01 -0.38 0.27 121.20 126.81 3kqz s ILE 574 Ca -0.03 -1.35 -0.19 0.00 0.00 0.00 0.00 60.65 59.08 3kqz s ILE 574 Cb -0.13 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.85 3kqz s ILE 574 CO -0.03 0.02 0.58 -0.62 0.00 0.00 0.00 174.94 174.88 3kqz s ASP 575 N 1.23 6.35 -0.05 3.58 -1.08 0.16 -1.35 116.67 125.51 3kqz s ASP 575 Ca -0.05 -0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.04 3kqz s ASP 575 Cb -0.19 -2.30 0.40 0.00 -1.46 0.00 0.00 42.92 39.38 3kqz s ASP 575 CO -0.03 -0.59 1.33 2.30 0.52 0.00 0.00 175.17 178.70 3kqz n ILE 576 N 5.57 1.35 -0.33 4.11 -5.35 0.16 -2.63 119.36 122.24 3kqz n ILE 576 Ca -0.03 -1.21 0.26 0.00 -0.27 0.00 0.00 62.75 61.50 3kqz n ILE 576 Cb 0.48 0.30 0.50 0.00 -1.74 0.00 0.00 39.64 39.19 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 2.21 1.95 0.00 -1.28 0.00 -1.82 -0.99 119.26 119.32 3kqz h ALA 577 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3kqz h ALA 577 Cb 0.95 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kqz h ALA 577 CO 0.07 -0.75 -0.56 0.78 0.00 0.00 0.00 179.25 178.79 3kqz h GLY 578 N 0.13 0.00 0.00 0.00 0.00 -1.81 -3.39 103.07 98.00 3kqz h GLY 578 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.10 3kqz h GLY 578 CO -0.72 0.00 -0.92 3.33 0.00 0.00 0.00 176.54 178.23 3kqz n VAL 579 N -3.09 0.00 -0.24 4.60 0.24 -0.67 -4.08 118.33 115.09 3kqz n VAL 579 Ca 0.01 -0.22 0.01 0.00 -2.04 0.00 0.00 64.34 62.09 3kqz n VAL 579 Cb 0.68 0.59 0.13 0.00 -1.47 0.00 0.00 33.84 33.77 3kqz n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqz h SER 580 N 0.00 0.47 -3.32 -1.34 0.87 -1.42 -3.42 113.55 105.40 3kqz h SER 580 Ca 0.00 0.05 -0.61 0.00 -1.23 0.00 0.00 61.79 60.00 3kqz h SER 580 Cb 0.24 -0.03 -0.15 0.00 -0.44 0.00 0.00 62.40 62.02 3kqz h SER 580 CO 0.00 0.28 -0.53 0.86 -0.53 0.00 0.00 176.83 176.91 3kqz s TRP 581 N -6.07 3.31 -0.60 2.24 -0.11 -1.26 -0.20 118.94 116.26 3kqz s TRP 581 Ca -0.13 0.17 -0.23 0.00 1.22 0.00 0.00 56.10 57.14 3kqz s TRP 581 Cb 0.17 -2.13 0.06 0.00 -1.50 0.00 0.00 33.47 30.07 3kqz s TRP 581 CO 0.76 0.18 0.91 1.21 -4.62 0.00 0.00 176.95 175.39 3kqz s ASN 582 N 0.46 6.24 0.28 5.86 3.84 0.10 -4.88 114.94 126.84 3kqz s ASN 582 Ca 0.05 -0.75 -0.00 0.00 0.21 0.00 0.00 52.86 52.37 3kqz s ASN 582 Cb -0.12 -2.41 0.40 0.00 -0.55 0.00 0.00 41.25 38.57 3kqz s ASN 582 CO -0.00 -1.29 1.78 -0.26 -2.79 0.00 0.00 177.10 174.54 3kqz h PHE 583 N 9.39 0.75 -0.13 0.43 -1.00 -1.96 0.14 116.94 124.56 3kqz h PHE 583 Ca -0.28 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.35 3kqz h PHE 583 Cb 1.07 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.43 3kqz h PHE 583 CO 0.92 0.72 -0.14 0.87 -1.61 0.00 0.00 178.31 179.07 3kqz h LYS 584 N 0.66 0.32 -0.00 1.51 1.57 -1.94 -3.15 116.57 115.54 3kqz h LYS 584 Ca 0.13 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kqz h LYS 584 Cb 0.44 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kqz h LYS 584 CO 0.02 0.72 -0.17 0.00 -0.57 0.00 0.00 179.45 179.45 3kqz n ALA 585 N -2.42 2.82 -2.37 3.86 0.00 -1.20 -4.94 120.51 116.27 3kqz n ALA 585 Ca -0.06 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 3kqz n ALA 585 Cb 0.36 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 3kqz n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqz n ARG 586 N -1.27 -1.55 -4.21 0.00 1.74 0.44 -4.99 116.66 106.82 3kqz n ARG 586 Ca 0.10 0.86 -0.12 0.00 -0.77 0.00 0.00 57.85 57.92 3kqz n ARG 586 Cb 0.31 -5.36 -0.10 0.00 -1.02 0.00 0.00 32.46 26.29 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 -4.92 1.17 0.82 5.56 -2.85 -0.89 -4.99 119.74 113.65 3kqz s LYS 587 Ca 0.01 -1.61 -0.11 0.00 -1.00 0.00 0.00 55.97 53.26 3kqz s LYS 587 Cb -0.01 0.14 0.09 0.00 -2.06 0.00 0.00 37.83 35.99 3kqz s LYS 587 CO 0.01 -0.33 1.09 -2.14 0.10 0.00 0.00 175.35 174.08 3kqz s PRO 588 N -4.10 1.86 0.02 1.78 0.02 -1.26 0.01 135.00 133.33 3kqz s PRO 588 Ca 0.35 0.76 0.22 0.00 0.02 0.00 0.00 61.00 62.35 3kqz s PRO 588 Cb 0.07 -1.88 -0.21 0.00 0.02 0.00 0.00 34.50 32.50 3kqz s PRO 588 CO 0.10 -1.81 0.72 1.63 -0.33 0.00 0.00 177.00 177.31 3kqz n LYS 589 N -3.58 0.49 -2.43 5.54 5.02 0.73 -4.60 118.16 119.33 3kqz n LYS 589 Ca 0.07 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 3kqz n LYS 589 Cb 0.55 -1.57 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 3kqz n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 590 N 1.30 -0.10 3.74 0.72 0.00 -1.26 -4.94 105.19 104.65 3kqz n GLY 590 Ca -0.01 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 3.11 0.00 1.61 5.36 -1.26 -3.25 117.98 120.80 3kqz s PHE 591 Ca 0.07 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 3kqz s PHE 591 Cb -0.03 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 3kqz s PHE 591 CO 0.09 -2.45 0.00 0.41 -1.46 0.00 0.00 175.22 171.81 3kqz n GLY 592 N 2.42 2.54 0.04 13.12 0.00 -1.26 -4.69 105.19 117.36 3kqz n GLY 592 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 1.04 -0.13 1.61 2.07 -1.77 0.26 116.25 119.33 3kqz h VAL 593 Ca 0.00 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 3kqz h VAL 593 Cb 0.00 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3kqz h VAL 593 CO 0.00 0.03 -0.45 0.03 0.02 0.00 0.00 177.57 177.20 3kqz h ARG 594 N -0.05 0.32 0.01 1.57 3.08 -1.89 -1.84 114.38 115.57 3kqz h ARG 594 Ca 0.00 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3kqz h ARG 594 Cb 0.05 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kqz h ARG 594 CO -0.00 0.71 -0.01 1.25 -1.07 0.00 0.00 179.97 180.86 3kqz h LEU 595 N 0.26 -0.01 -0.50 3.04 5.85 -1.74 0.90 115.31 123.11 3kqz h LEU 595 Ca 0.02 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 3kqz h LEU 595 Cb 0.90 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3kqz h LEU 595 CO 0.07 0.06 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.02 3kqz h LEU 596 N -0.08 0.98 -0.31 2.25 3.38 -0.87 -0.34 115.31 120.32 3kqz h LEU 596 Ca -0.00 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3kqz h LEU 596 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3kqz h LEU 596 CO 0.00 1.13 -0.11 0.74 0.09 0.00 0.00 178.44 180.28 3kqz h THR 597 N 0.83 1.29 -0.82 0.22 2.02 -1.17 0.11 112.91 115.38 3kqz h THR 597 Ca 0.12 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 3kqz h THR 597 Cb 0.71 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3kqz h THR 597 CO 0.05 0.38 0.47 -0.33 0.37 0.00 0.00 175.52 176.46 3kqz h GLU 598 N 0.38 1.14 -0.21 6.66 4.39 -0.68 0.66 114.58 126.92 3kqz h GLU 598 Ca 0.07 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kqz h GLU 598 Cb 0.62 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3kqz h GLU 598 CO 0.04 0.82 0.14 0.35 -1.16 0.00 0.00 179.01 179.20 3kqz h PHE 599 N 1.15 0.26 -0.55 4.33 3.57 -0.62 -0.55 116.94 124.53 3kqz h PHE 599 Ca 0.29 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 3kqz h PHE 599 Cb 0.00 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3kqz h PHE 599 CO 0.01 0.16 0.05 0.28 -2.23 0.00 0.00 178.31 176.58 3kqz h VAL 600 N 0.28 1.25 -0.02 1.41 2.07 -0.34 -3.12 116.25 117.78 3kqz h VAL 600 Ca 0.08 -1.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.33 3kqz h VAL 600 Cb -0.03 0.77 0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3kqz h VAL 600 CO -0.02 0.36 -1.01 -0.07 0.02 0.00 0.00 177.57 176.86 3kqz h LEU 601 N 0.85 0.92 -0.04 2.57 4.07 -0.74 -3.30 115.31 119.65 3kqz h LEU 601 Ca 0.17 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 57.41 3kqz h LEU 601 Cb 0.44 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3kqz h LEU 601 CO 0.02 1.52 -0.02 0.59 -1.08 0.00 0.00 178.44 179.46 3kqz n ASN 602 N -3.87 0.07 0.00 -0.43 4.13 -0.23 -5.05 115.26 109.90 3kqz n ASN 602 Ca -0.10 -0.26 0.09 0.00 1.68 0.00 0.00 54.58 55.98 3kqz n ASN 602 Cb 0.86 -0.23 0.52 0.00 -1.54 0.00 0.00 39.78 39.39 3kqz n ASN 602 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01