#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t9a s MET 85 N 0.00 1.23 -0.13 -0.67 -1.94 -1.26 -2.61 119.30 113.92 1t9a s MET 85 Ca 0.00 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 53.02 1t9a s MET 85 Cb 0.00 -1.36 -0.01 0.00 2.01 0.00 0.00 34.83 35.47 1t9a s MET 85 CO 0.00 0.34 -0.16 0.34 -0.01 0.00 0.00 175.02 175.53 1t9a s ASP 86 N -1.37 3.77 0.00 3.03 2.15 0.34 -4.62 116.67 119.95 1t9a s ASP 86 Ca 0.06 -0.40 0.09 0.00 0.43 0.00 0.00 52.55 52.73 1t9a s ASP 86 Cb -0.09 -1.56 -0.00 0.00 -0.30 0.00 0.00 42.92 40.97 1t9a s ASP 86 CO 0.02 0.15 0.58 0.35 -0.17 0.00 0.00 175.17 176.10 1t9a n THR 87 N 3.60 0.00 0.22 1.71 -2.24 -1.26 -1.27 114.28 115.03 1t9a n THR 87 Ca -0.18 -0.41 0.14 0.00 -2.27 0.00 0.00 64.05 61.32 1t9a n THR 87 Cb 0.53 1.10 0.74 0.00 -2.10 0.00 0.00 70.33 70.60 1t9a n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1t9a h SER 88 N 0.95 0.00 0.00 3.42 4.64 -1.96 -1.78 113.55 118.81 1t9a h SER 88 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t9a h SER 88 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1t9a h SER 88 CO 0.00 0.00 -1.11 0.49 -0.87 0.00 0.00 176.83 175.34 1t9a n PHE 89 N -2.47 0.00 -1.68 4.77 0.99 -1.26 -4.94 117.46 112.87 1t9a n PHE 89 Ca -0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 56.98 1t9a n PHE 89 Cb 0.08 -0.09 -0.04 0.00 -1.00 0.00 0.00 39.48 38.43 1t9a n PHE 89 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1t9a n VAL 90 N -1.60 0.54 0.00 -4.37 0.31 -0.67 -1.23 118.33 111.31 1t9a n VAL 90 Ca 0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1t9a n VAL 90 Cb 0.34 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1t9a n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t9a n GLY 91 N 4.32 2.38 3.91 2.92 0.00 0.63 -5.00 105.19 114.35 1t9a n GLY 91 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1t9a n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t9a s LEU 92 N 0.00 3.28 0.60 0.99 1.43 -0.36 -4.74 118.68 119.88 1t9a s LEU 92 Ca 0.00 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1t9a s LEU 92 Cb 0.00 -3.75 0.05 0.00 0.03 0.00 0.00 46.19 42.52 1t9a s LEU 92 CO 0.00 -0.97 0.84 0.42 0.23 0.00 0.00 176.35 176.87 1t9a s THR 93 N -3.00 2.54 0.17 5.49 -4.23 -1.26 -0.60 115.64 114.76 1t9a s THR 93 Ca 0.53 -0.59 -0.13 0.00 -1.18 0.00 0.00 61.69 60.32 1t9a s THR 93 Cb -0.11 -2.94 0.08 0.00 1.34 0.00 0.00 72.50 70.87 1t9a s THR 93 CO 0.47 0.00 1.79 1.23 -0.54 0.00 0.00 174.62 177.57 1t9a h GLY 94 N -0.11 0.85 0.89 3.99 0.00 -0.17 -1.01 103.07 107.52 1t9a h GLY 94 Ca -0.42 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.56 1t9a h GLY 94 CO 0.52 0.37 0.46 -1.33 0.00 0.00 0.00 176.54 176.55 1t9a h GLY 95 N 0.78 1.04 1.40 4.60 0.00 -1.32 0.21 103.07 109.77 1t9a h GLY 95 Ca 0.20 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1t9a h GLY 95 CO -0.03 0.30 -0.15 1.46 0.00 0.00 0.00 176.54 178.11 1t9a h GLN 96 N 0.90 0.71 -0.47 4.80 4.20 -1.76 -0.28 115.11 123.19 1t9a h GLN 96 Ca 0.29 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1t9a h GLN 96 Cb 0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1t9a h GLN 96 CO -0.10 0.82 0.07 0.82 -0.67 0.00 0.00 178.83 179.77 1t9a h ILE 97 N 0.63 1.25 -0.23 2.54 2.04 -0.41 -0.30 117.51 123.03 1t9a h ILE 97 Ca 0.10 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1t9a h ILE 97 Cb 0.62 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1t9a h ILE 97 CO 0.04 0.32 -0.06 0.15 0.00 0.00 0.00 178.15 178.60 1t9a h PHE 98 N 0.66 -0.14 -0.52 1.37 3.57 -0.09 0.12 116.94 121.91 1t9a h PHE 98 Ca 0.14 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.74 1t9a h PHE 98 Cb 0.39 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 1t9a h PHE 98 CO 0.03 -0.11 0.16 -0.97 -2.23 0.00 0.00 178.31 175.19 1t9a h ASN 99 N -0.01 0.13 -0.63 0.41 -1.24 -0.64 -1.71 115.58 111.89 1t9a h ASN 99 Ca 0.11 0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.13 1t9a h ASN 99 Cb 0.18 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 1t9a h ASN 99 CO -0.24 0.10 0.13 -0.33 -1.29 0.00 0.00 177.43 175.79 1t9a h GLU 100 N 0.32 1.03 0.00 6.67 4.39 -0.24 -2.89 114.58 123.86 1t9a h GLU 100 Ca 0.26 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1t9a h GLU 100 Cb 0.31 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1t9a h GLU 100 CO -0.28 0.95 -0.20 0.52 -1.16 0.00 0.00 179.01 178.84 1t9a h MET 101 N 0.95 0.00 -0.16 2.33 2.86 -0.16 -2.82 114.93 117.93 1t9a h MET 101 Ca 0.20 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1t9a h MET 101 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1t9a h MET 101 CO 0.01 0.20 0.08 0.52 1.06 0.00 0.00 176.91 178.78 1t9a h MET 102 N 0.00 0.23 0.00 1.72 2.86 -1.11 -0.22 114.93 118.41 1t9a h MET 102 Ca -0.00 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1t9a h MET 102 Cb 0.38 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1t9a h MET 102 CO 0.03 0.26 -0.35 0.66 1.06 0.00 0.00 176.91 178.57 1t9a h SER 103 N 0.14 0.00 0.75 1.22 4.64 -1.58 -0.50 113.55 118.23 1t9a h SER 103 Ca 0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 1t9a h SER 103 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1t9a h SER 103 CO -0.01 0.35 -0.56 0.03 -0.87 0.00 0.00 176.83 175.77 1t9a h ARG 104 N 0.00 0.00 -0.28 4.77 3.08 -1.22 -2.53 114.38 118.20 1t9a h ARG 104 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1t9a h ARG 104 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1t9a h ARG 104 CO 0.05 0.56 0.00 1.04 -1.07 0.00 0.00 179.97 180.54 1t9a n GLN 105 N -3.66 1.71 -2.69 0.04 1.13 -0.13 -4.89 117.38 108.90 1t9a n GLN 105 Ca -0.01 -1.10 -0.19 0.00 -1.94 0.00 0.00 57.00 53.76 1t9a n GLN 105 Cb 0.60 -1.28 0.02 0.00 0.11 0.00 0.00 30.24 29.69 1t9a n GLN 105 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1t9a n ASN 106 N 0.38 -5.45 -4.68 1.08 5.15 -0.95 -4.97 115.26 105.81 1t9a n ASN 106 Ca 0.12 -0.16 -0.41 0.00 -0.60 0.00 0.00 54.58 53.54 1t9a n ASN 106 Cb 0.27 -4.38 -0.05 0.00 -0.53 0.00 0.00 39.78 35.10 1t9a n ASN 106 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1t9a s VAL 107 N -3.02 4.95 -0.40 3.44 1.01 -0.25 -4.92 120.40 121.21 1t9a s VAL 107 Ca 0.16 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.69 1t9a s VAL 107 Cb -0.07 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1t9a s VAL 107 CO 0.19 0.09 0.36 -0.90 0.00 0.00 0.00 175.10 174.84 1t9a n ASP 108 N 4.90 0.59 -3.82 3.32 3.85 -1.26 -4.53 116.55 119.61 1t9a n ASP 108 Ca 0.02 -0.80 -0.13 0.00 -0.71 0.00 0.00 54.79 53.18 1t9a n ASP 108 Cb 0.49 0.74 -0.13 0.00 -1.35 0.00 0.00 41.12 40.87 1t9a n ASP 108 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1t9a s THR 109 N -1.27 -0.01 -0.04 2.12 2.01 -1.26 -0.20 115.64 116.99 1t9a s THR 109 Ca 0.03 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1t9a s THR 109 Cb 0.04 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.40 1t9a s THR 109 CO 0.19 0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.36 1t9a s VAL 110 N 0.30 0.85 -0.20 3.82 1.01 -0.30 -4.41 120.40 121.47 1t9a s VAL 110 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1t9a s VAL 110 Cb -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1t9a s VAL 110 CO -0.01 0.28 -0.04 -0.36 0.00 0.00 0.00 175.10 174.97 1t9a s PHE 111 N 0.48 2.97 0.23 5.22 0.40 0.24 -0.97 117.98 126.54 1t9a s PHE 111 Ca -0.08 -0.68 -0.21 0.00 -0.60 0.00 0.00 56.93 55.36 1t9a s PHE 111 Cb -0.12 -2.06 0.07 0.00 0.51 0.00 0.00 43.02 41.42 1t9a s PHE 111 CO 0.01 -0.36 0.99 0.20 0.70 0.00 0.00 175.22 176.76 1t9a s GLY 112 N 1.11 0.17 -0.06 4.36 0.00 -1.00 -0.82 107.32 111.08 1t9a s GLY 112 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 1t9a s GLY 112 CO 0.00 1.89 0.12 -0.47 0.00 0.00 0.00 173.10 174.64 1t9a s TYR 113 N -2.18 -0.10 0.91 1.90 5.04 -0.94 -4.03 117.35 117.95 1t9a s TYR 113 Ca 0.21 0.43 -0.11 0.00 -2.44 0.00 0.00 57.07 55.15 1t9a s TYR 113 Cb -0.03 -0.23 0.14 0.00 0.35 0.00 0.00 41.96 42.19 1t9a s TYR 113 CO 0.07 -0.19 1.10 -1.25 -1.34 0.00 0.00 175.55 173.93 1t9a s PRO 114 N 1.66 1.11 0.10 4.97 0.04 -1.26 -3.69 135.00 137.92 1t9a s PRO 114 Ca -0.03 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.84 1t9a s PRO 114 Cb -0.12 -1.77 0.08 0.00 0.04 0.00 0.00 34.50 32.73 1t9a s PRO 114 CO -0.05 -2.42 1.09 0.20 0.04 0.00 0.00 177.00 175.86 1t9a s GLY 115 N -3.09 -0.24 0.06 0.56 0.00 -1.26 -4.75 107.32 98.61 1t9a s GLY 115 Ca 0.64 0.23 -0.31 0.00 0.00 0.00 0.00 44.72 45.28 1t9a s GLY 115 CO 0.58 0.61 1.48 -1.33 0.00 0.00 0.00 173.10 174.45 1t9a h GLY 116 N 2.00 -1.20 0.96 0.20 0.00 -1.97 -2.35 103.07 100.71 1t9a h GLY 116 Ca -0.27 0.52 0.14 0.00 0.00 0.00 0.00 47.33 47.72 1t9a h GLY 116 CO 0.28 -0.39 0.38 0.00 0.00 0.00 0.00 176.54 176.81 1t9a h ALA 117 N -1.18 2.41 -0.41 3.60 0.00 -1.94 -1.28 119.26 120.46 1t9a h ALA 117 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1t9a h ALA 117 Cb 0.80 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1t9a h ALA 117 CO 0.03 -0.64 0.00 1.51 0.00 0.00 0.00 179.25 180.16 1t9a n ILE 118 N -4.25 0.53 -0.19 0.00 0.13 -1.16 -4.21 119.36 110.22 1t9a n ILE 118 Ca 0.09 -0.75 -0.01 0.00 -1.10 0.00 0.00 62.75 60.99 1t9a n ILE 118 Cb 0.59 0.89 0.08 0.00 -0.84 0.00 0.00 39.64 40.37 1t9a n ILE 118 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 1t9a h LEU 119 N 4.33 -0.28 -1.63 9.51 3.38 -0.67 -1.77 115.31 128.18 1t9a h LEU 119 Ca 0.00 0.14 0.23 0.00 0.09 0.00 0.00 57.88 58.35 1t9a h LEU 119 Cb 0.96 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 1t9a h LEU 119 CO 0.00 -0.11 0.63 -0.65 0.09 0.00 0.00 178.44 178.41 1t9a h PRO 120 N 0.10 0.27 0.24 1.13 0.11 -1.81 0.73 132.00 132.78 1t9a h PRO 120 Ca 0.29 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 66.04 1t9a h PRO 120 Cb 0.46 -0.06 0.03 0.00 0.11 0.00 0.00 31.00 31.54 1t9a h PRO 120 CO -0.49 0.18 -1.54 0.28 -0.21 0.00 0.00 178.00 176.22 1t9a h VAL 121 N 0.28 1.21 -0.62 3.15 2.07 -1.64 -3.17 116.25 117.54 1t9a h VAL 121 Ca 0.48 -2.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.30 1t9a h VAL 121 Cb 1.42 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 34.15 1t9a h VAL 121 CO -0.15 0.82 0.24 1.88 0.02 0.00 0.00 177.57 180.38 1t9a h TYR 122 N 0.14 0.95 -0.24 1.57 -1.99 -0.75 -1.67 116.97 114.98 1t9a h TYR 122 Ca -0.28 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.37 1t9a h TYR 122 Cb 2.16 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 40.60 1t9a h TYR 122 CO 0.12 0.76 0.13 0.22 -0.00 0.00 0.00 178.16 179.39 1t9a h ASP 123 N 0.87 0.29 1.11 3.88 3.58 -1.03 -0.86 116.42 124.26 1t9a h ASP 123 Ca 0.20 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 1t9a h ASP 123 Cb 0.22 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1t9a h ASP 123 CO -0.01 0.24 -0.54 0.00 -2.88 0.00 0.00 179.24 176.05 1t9a h ALA 124 N 1.81 0.76 -0.71 -0.78 0.00 -1.35 -3.10 119.26 115.89 1t9a h ALA 124 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1t9a h ALA 124 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1t9a h ALA 124 CO -0.01 0.68 0.00 0.44 0.00 0.00 0.00 179.25 180.35 1t9a n ILE 125 N -3.40 1.12 -1.90 0.00 -5.35 -0.69 -4.81 119.36 104.34 1t9a n ILE 125 Ca 0.01 -1.03 -0.42 0.00 -0.27 0.00 0.00 62.75 61.03 1t9a n ILE 125 Cb 0.68 0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 38.99 1t9a n ILE 125 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1t9a s HIS 126 N -1.13 1.73 0.00 4.28 2.46 -0.41 -2.11 115.29 120.11 1t9a s HIS 126 Ca 0.48 0.10 0.00 0.00 0.47 0.00 0.00 55.06 56.12 1t9a s HIS 126 Cb 0.26 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.69 1t9a s HIS 126 CO 0.31 -4.19 0.00 0.09 -2.47 0.00 0.00 174.74 168.49 1t9a n ASN 127 N 7.88 -5.02 -4.77 9.88 3.02 -1.26 -4.96 115.26 120.03 1t9a n ASN 127 Ca 0.19 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.33 1t9a n ASN 127 Cb 0.43 -2.59 -0.01 0.00 -0.61 0.00 0.00 39.78 37.00 1t9a n ASN 127 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1t9a s SER 128 N -2.01 6.45 -0.05 6.41 0.15 -0.90 -4.90 113.70 118.86 1t9a s SER 128 Ca 0.00 2.94 0.17 0.00 0.70 0.00 0.00 55.95 59.76 1t9a s SER 128 Cb 0.00 -2.66 0.54 0.00 -1.71 0.00 0.00 66.02 62.19 1t9a s SER 128 CO 0.00 -0.80 1.46 -0.90 1.20 0.00 0.00 173.24 174.19 1t9a n ASP 129 N 0.88 3.83 0.22 5.45 5.75 -1.26 -4.24 116.55 127.17 1t9a n ASP 129 Ca 0.02 -2.23 0.09 0.00 -0.01 0.00 0.00 54.79 52.66 1t9a n ASP 129 Cb 0.40 -0.43 0.46 0.00 -1.03 0.00 0.00 41.12 40.51 1t9a n ASP 129 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1t9a h LYS 130 N 3.22 0.00 -2.82 0.11 1.57 -1.95 -3.46 116.57 113.24 1t9a h LYS 130 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1t9a h LYS 130 Cb 1.08 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.27 1t9a h LYS 130 CO 0.09 0.26 0.29 -0.59 -0.57 0.00 0.00 179.45 178.92 1t9a s PHE 131 N -3.75 -0.45 0.04 -1.35 -0.12 -1.26 -4.62 117.98 106.47 1t9a s PHE 131 Ca -0.00 0.23 -0.22 0.00 -0.05 0.00 0.00 56.93 56.88 1t9a s PHE 131 Cb 0.11 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 43.02 1t9a s PHE 131 CO 0.65 -0.82 0.66 1.21 -0.05 0.00 0.00 175.22 176.87 1t9a s ASN 132 N -2.71 7.11 -0.18 1.98 3.04 0.73 -4.91 114.94 119.99 1t9a s ASN 132 Ca 0.03 1.32 -0.05 0.00 0.04 0.00 0.00 52.86 54.20 1t9a s ASN 132 Cb -0.01 -2.41 -0.03 0.00 -1.54 0.00 0.00 41.25 37.26 1t9a s ASN 132 CO -0.10 0.11 -0.01 0.12 -3.04 0.00 0.00 177.10 174.18 1t9a s PHE 133 N -0.37 3.06 -0.21 0.43 5.36 -1.26 -1.15 117.98 123.84 1t9a s PHE 133 Ca 0.34 -0.33 -0.03 0.00 -0.96 0.00 0.00 56.93 55.95 1t9a s PHE 133 Cb -0.20 -2.03 -0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1t9a s PHE 133 CO 0.20 -0.11 -0.05 0.08 -1.46 0.00 0.00 175.22 173.88 1t9a s VAL 134 N 0.65 3.34 -0.23 3.12 1.01 -0.15 -4.98 120.40 123.17 1t9a s VAL 134 Ca -0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1t9a s VAL 134 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1t9a s VAL 134 CO 0.02 0.44 0.08 -0.22 0.00 0.00 0.00 175.10 175.42 1t9a s LEU 135 N 1.32 3.59 0.00 3.92 2.96 -1.26 -2.38 118.68 126.82 1t9a s LEU 135 Ca 0.04 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1t9a s LEU 135 Cb -0.14 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1t9a s LEU 135 CO -0.02 0.03 0.00 -0.81 -1.32 0.00 0.00 176.35 174.22 1t9a n PRO 136 N 4.51 0.95 -0.01 0.98 -0.04 -1.26 -4.83 135.00 135.31 1t9a n PRO 136 Ca -0.16 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1t9a n PRO 136 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 1t9a n PRO 136 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1t9a n LYS 137 N -0.97 0.66 -3.86 0.54 4.76 -1.26 -4.97 118.16 113.05 1t9a n LYS 137 Ca 0.00 -0.14 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 1t9a n LYS 137 Cb 0.00 -1.40 -0.12 0.00 -1.84 0.00 0.00 35.03 31.67 1t9a n LYS 137 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1t9a s HIS 138 N -3.13 -0.02 0.45 2.13 2.46 -1.26 -5.05 115.29 110.87 1t9a s HIS 138 Ca -0.04 0.05 0.11 0.00 0.47 0.00 0.00 55.06 55.65 1t9a s HIS 138 Cb 0.12 -0.02 1.03 0.00 -0.13 0.00 0.00 32.58 33.57 1t9a s HIS 138 CO 0.73 -0.15 2.08 0.93 -2.47 0.00 0.00 174.74 175.86 1t9a h GLU 139 N 5.26 0.26 -0.44 2.88 3.07 -1.91 -0.10 114.58 123.60 1t9a h GLU 139 Ca -0.28 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1t9a h GLU 139 Cb 1.20 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1t9a h GLU 139 CO 0.42 0.21 0.28 0.37 -1.40 0.00 0.00 179.01 178.89 1t9a h GLN 140 N 0.27 0.59 -0.60 2.33 4.15 -1.91 -0.29 115.11 119.64 1t9a h GLN 140 Ca 0.07 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 1t9a h GLN 140 Cb 0.03 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1t9a h GLN 140 CO -0.01 0.40 0.11 0.78 -1.93 0.00 0.00 178.83 178.18 1t9a h GLY 141 N 0.62 1.07 0.99 2.39 0.00 -1.35 -1.46 103.07 105.34 1t9a h GLY 141 Ca 0.16 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1t9a h GLY 141 CO -0.03 0.65 0.33 0.00 0.00 0.00 0.00 176.54 177.49 1t9a h ALA 142 N 1.02 0.76 -0.08 3.60 0.00 -0.84 0.21 119.26 123.93 1t9a h ALA 142 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1t9a h ALA 142 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1t9a h ALA 142 CO 0.01 0.28 0.04 0.78 0.00 0.00 0.00 179.25 180.36 1t9a h GLY 143 N 0.81 0.12 1.75 0.00 0.00 -0.90 -1.01 103.07 103.83 1t9a h GLY 143 Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 1t9a h GLY 143 CO -0.03 0.05 -0.32 0.45 0.00 0.00 0.00 176.54 176.69 1t9a h HIS 144 N 0.03 0.33 -0.47 5.60 3.86 -1.14 -1.64 115.15 121.72 1t9a h HIS 144 Ca 0.03 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 1t9a h HIS 144 Cb 0.09 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1t9a h HIS 144 CO -0.04 0.59 0.11 0.52 0.86 0.00 0.00 177.93 179.96 1t9a h MET 145 N 0.25 0.76 -0.88 2.45 2.86 -0.77 -0.89 114.93 118.72 1t9a h MET 145 Ca 0.03 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1t9a h MET 145 Cb 0.70 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1t9a h MET 145 CO 0.05 0.76 0.53 0.00 1.06 0.00 0.00 176.91 179.31 1t9a h ALA 146 N 0.98 1.12 -0.22 6.32 0.00 -0.80 0.13 119.26 126.80 1t9a h ALA 146 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1t9a h ALA 146 Cb 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t9a h ALA 146 CO 0.00 0.59 0.07 0.93 0.00 0.00 0.00 179.25 180.85 1t9a h GLU 147 N 1.21 0.34 -0.83 0.00 5.08 -1.01 0.08 114.58 119.45 1t9a h GLU 147 Ca 0.32 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1t9a h GLU 147 Cb -0.04 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 1t9a h GLU 147 CO -0.06 0.42 0.53 0.78 -1.00 0.00 0.00 179.01 179.68 1t9a h GLY 148 N 0.19 1.23 0.98 -3.84 0.00 -0.69 0.11 103.07 101.05 1t9a h GLY 148 Ca 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1t9a h GLY 148 CO -0.00 0.32 0.26 -1.82 0.00 0.00 0.00 176.54 175.30 1t9a h TYR 149 N 1.01 0.61 -0.49 5.60 3.20 -0.44 -1.97 116.97 124.50 1t9a h TYR 149 Ca 0.34 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 1t9a h TYR 149 Cb 0.06 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1t9a h TYR 149 CO -0.03 0.45 0.02 0.00 -1.64 0.00 0.00 178.16 176.95 1t9a h ALA 150 N 1.11 0.66 -0.40 1.82 0.00 -0.10 -1.19 119.26 121.16 1t9a h ALA 150 Ca 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1t9a h ALA 150 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1t9a h ALA 150 CO -0.03 0.45 0.07 0.00 0.00 0.00 0.00 179.25 179.74 1t9a h ARG 151 N 0.72 0.61 0.00 0.00 2.47 -0.65 0.93 114.38 118.45 1t9a h ARG 151 Ca 0.14 -0.11 -0.22 0.00 -1.26 0.00 0.00 59.98 58.52 1t9a h ARG 151 Cb 0.49 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.68 1t9a h ARG 151 CO 0.02 0.58 -1.32 0.00 0.56 0.00 0.00 179.97 179.82 1t9a h ALA 152 N 1.49 0.62 0.00 0.04 0.00 -1.24 -3.39 119.26 116.78 1t9a h ALA 152 Ca 0.13 -1.07 -0.16 0.00 0.00 0.00 0.00 54.91 53.81 1t9a h ALA 152 Cb 0.27 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1t9a h ALA 152 CO 0.00 1.24 -2.03 -1.13 0.00 0.00 0.00 179.25 177.34 1t9a n SER 153 N -3.11 0.70 0.00 0.00 3.41 -0.46 -4.92 113.62 109.24 1t9a n SER 153 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1t9a n SER 153 Cb 0.94 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 1t9a n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t9a n GLY 154 N 1.68 1.31 3.93 5.00 0.00 0.32 -5.03 105.19 112.40 1t9a n GLY 154 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1t9a n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t9a s LYS 155 N -0.40 3.48 0.36 1.61 1.02 -1.25 -5.04 119.74 119.53 1t9a s LYS 155 Ca 0.00 -0.46 -0.27 0.00 0.02 0.00 0.00 55.97 55.26 1t9a s LYS 155 Cb 0.00 -2.91 -0.09 0.00 -0.52 0.00 0.00 37.83 34.31 1t9a s LYS 155 CO 0.00 0.47 1.25 -1.25 -0.92 0.00 0.00 175.35 174.90 1t9a s PRO 156 N -3.25 4.20 0.01 -1.68 0.04 -1.26 -3.98 135.00 129.08 1t9a s PRO 156 Ca 0.36 2.07 -0.24 0.00 0.04 0.00 0.00 61.00 63.24 1t9a s PRO 156 Cb -0.11 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1t9a s PRO 156 CO 0.29 -0.27 0.74 0.20 0.04 0.00 0.00 177.00 177.99 1t9a s GLY 157 N -0.75 2.74 -0.19 0.56 0.00 -0.82 -4.85 107.32 104.00 1t9a s GLY 157 Ca 0.53 0.23 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 1t9a s GLY 157 CO 0.47 1.09 -0.04 0.14 0.00 0.00 0.00 173.10 174.76 1t9a s VAL 158 N 0.16 3.56 -0.07 1.40 1.01 -1.26 -0.74 120.40 124.47 1t9a s VAL 158 Ca 0.38 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1t9a s VAL 158 Cb -0.20 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1t9a s VAL 158 CO 0.21 0.45 -0.14 -0.69 0.00 0.00 0.00 175.10 174.93 1t9a s VAL 159 N 1.02 3.08 -0.31 2.92 1.01 -0.59 -0.60 120.40 126.93 1t9a s VAL 159 Ca 0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1t9a s VAL 159 Cb -0.15 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.11 1t9a s VAL 159 CO 0.00 0.58 0.11 -0.22 0.00 0.00 0.00 175.10 175.57 1t9a s LEU 160 N -0.51 1.99 0.47 3.92 2.96 0.00 -0.27 118.68 127.24 1t9a s LEU 160 Ca 0.07 -1.63 0.02 0.00 -0.22 0.00 0.00 54.13 52.38 1t9a s LEU 160 Cb -0.12 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1t9a s LEU 160 CO 0.02 -0.41 0.03 0.68 -1.32 0.00 0.00 176.35 175.34 1t9a s VAL 161 N 1.64 1.16 0.66 1.68 -7.23 -0.40 -2.22 120.40 115.69 1t9a s VAL 161 Ca 0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1t9a s VAL 161 Cb -0.17 -2.33 0.13 0.00 0.56 0.00 0.00 36.38 34.56 1t9a s VAL 161 CO -0.26 0.00 0.90 1.07 -0.31 0.00 0.00 175.10 176.50 1t9a n THR 162 N -1.14 0.00 -1.18 5.32 5.66 -1.24 -1.19 114.28 120.51 1t9a n THR 162 Ca -0.14 -1.57 -0.26 0.00 -3.05 0.00 0.00 64.05 59.03 1t9a n THR 162 Cb 0.67 -0.83 0.21 0.00 -1.55 0.00 0.00 70.33 68.83 1t9a n THR 162 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1t9a n SER 163 N -2.78 -1.48 0.00 1.09 3.41 -0.87 -1.97 113.62 111.02 1t9a n SER 163 Ca 0.16 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1t9a n SER 163 Cb 0.56 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1t9a n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t9a n GLY 164 N -3.58 2.79 0.26 5.00 0.00 -0.49 -1.69 105.19 107.47 1t9a n GLY 164 Ca 0.14 0.32 0.07 0.00 0.00 0.00 0.00 46.02 46.55 1t9a n GLY 164 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t9a h PRO 165 N 0.00 0.04 -0.68 1.61 0.13 -1.87 -1.16 132.00 130.08 1t9a h PRO 165 Ca 0.00 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1t9a h PRO 165 Cb 0.00 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.09 1t9a h PRO 165 CO 0.00 0.07 0.11 0.78 -0.23 0.00 0.00 178.00 178.72 1t9a h GLY 166 N 0.16 1.21 0.99 1.56 0.00 -1.46 -1.85 103.07 103.69 1t9a h GLY 166 Ca 0.01 -0.81 -0.21 0.00 0.00 0.00 0.00 47.33 46.33 1t9a h GLY 166 CO 0.00 0.75 -0.80 0.00 0.00 0.00 0.00 176.54 176.49 1t9a h ALA 167 N 1.06 0.12 0.00 3.60 0.00 -0.69 -3.23 119.26 120.12 1t9a h ALA 167 Ca 0.20 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1t9a h ALA 167 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1t9a h ALA 167 CO 0.01 0.52 -0.19 1.79 0.00 0.00 0.00 179.25 181.38 1t9a h THR 168 N 0.16 0.64 0.00 0.00 1.35 -1.22 -2.26 112.91 111.57 1t9a h THR 168 Ca -0.10 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1t9a h THR 168 Cb 1.48 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1t9a h THR 168 CO 0.16 0.18 0.00 0.59 -0.25 0.00 0.00 175.52 176.20 1t9a n ASN 169 N -3.60 0.00 -0.82 5.36 5.03 -0.70 -2.81 115.26 117.72 1t9a n ASN 169 Ca -0.01 0.42 0.08 0.00 0.87 0.00 0.00 54.58 55.94 1t9a n ASN 169 Cb 0.32 -0.47 0.18 0.00 -1.02 0.00 0.00 39.78 38.80 1t9a n ASN 169 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1t9a n VAL 170 N -1.47 0.82 -0.13 2.41 0.24 -0.85 -3.09 118.33 116.27 1t9a n VAL 170 Ca 0.05 -0.91 -0.09 0.00 -2.04 0.00 0.00 64.34 61.35 1t9a n VAL 170 Cb 0.21 0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 33.21 1t9a n VAL 170 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1t9a h VAL 171 N 2.80 1.21 -0.01 3.34 2.07 -1.61 -1.84 116.25 122.21 1t9a h VAL 171 Ca 0.00 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1t9a h VAL 171 Cb 0.78 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1t9a h VAL 171 CO 0.00 0.24 -0.03 0.74 0.02 0.00 0.00 177.57 178.54 1t9a h THR 172 N 0.49 0.91 -0.60 2.57 2.02 -1.82 0.17 112.91 116.66 1t9a h THR 172 Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1t9a h THR 172 Cb 0.24 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1t9a h THR 172 CO -0.01 0.00 0.39 -0.65 0.37 0.00 0.00 175.52 175.63 1t9a h PRO 173 N -0.06 0.70 -0.20 6.66 0.11 -1.82 0.22 132.00 137.61 1t9a h PRO 173 Ca 0.02 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 1t9a h PRO 173 Cb 0.08 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 1t9a h PRO 173 CO -0.04 0.46 -0.18 0.52 -0.21 0.00 0.00 178.00 178.55 1t9a h MET 174 N 0.72 0.48 -0.28 1.05 2.86 -0.83 -0.40 114.93 118.54 1t9a h MET 174 Ca 0.23 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1t9a h MET 174 Cb 0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1t9a h MET 174 CO -0.06 0.82 0.11 0.00 1.06 0.00 0.00 176.91 178.84 1t9a h ALA 175 N 0.65 1.68 -0.21 6.32 0.00 -0.09 0.37 119.26 127.98 1t9a h ALA 175 Ca 0.03 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1t9a h ALA 175 Cb 0.72 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1t9a h ALA 175 CO 0.05 0.26 -0.36 0.22 0.00 0.00 0.00 179.25 179.42 1t9a h ASP 176 N 0.39 0.68 0.43 0.00 1.82 -0.34 -2.49 116.42 116.91 1t9a h ASP 176 Ca 0.10 -0.53 -0.10 0.00 -0.39 0.00 0.00 57.03 56.11 1t9a h ASP 176 Cb 0.08 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 1t9a h ASP 176 CO -0.01 1.08 -0.47 0.00 -1.61 0.00 0.00 179.24 178.23 1t9a h ALA 177 N 0.62 1.19 -0.45 -0.78 0.00 -0.57 -2.52 119.26 116.74 1t9a h ALA 177 Ca 0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1t9a h ALA 177 Cb 0.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1t9a h ALA 177 CO 0.08 0.60 -0.05 0.35 0.00 0.00 0.00 179.25 180.23 1t9a h PHE 178 N 0.04 0.92 -0.23 0.00 3.57 -0.86 0.39 116.94 120.77 1t9a h PHE 178 Ca -0.00 -0.18 -0.16 0.00 3.53 0.00 0.00 57.97 61.16 1t9a h PHE 178 Cb 0.84 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1t9a h PHE 178 CO 0.00 0.90 -0.51 0.00 -2.23 0.00 0.00 178.31 176.48 1t9a h ALA 179 N 0.89 0.68 -0.68 2.41 0.00 -1.28 -3.22 119.26 118.05 1t9a h ALA 179 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1t9a h ALA 179 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1t9a h ALA 179 CO 0.03 0.68 0.00 -0.25 0.00 0.00 0.00 179.25 179.71 1t9a n ASP 180 N -3.99 3.65 -3.54 0.00 8.00 -0.96 -4.71 116.55 115.00 1t9a n ASP 180 Ca -0.03 -2.01 -0.19 0.00 0.71 0.00 0.00 54.79 53.28 1t9a n ASP 180 Cb 0.59 -0.46 0.07 0.00 -0.02 0.00 0.00 41.12 41.30 1t9a n ASP 180 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t9a n GLY 181 N 1.57 -0.33 3.62 0.44 0.00 -0.14 -4.99 105.19 105.36 1t9a n GLY 181 Ca 0.23 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 1t9a n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t9a s ILE 182 N -3.49 5.01 0.02 -0.61 1.01 -0.06 -4.27 121.20 118.81 1t9a s ILE 182 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1t9a s ILE 182 Cb -0.00 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 1t9a s ILE 182 CO 0.76 0.39 1.50 -2.16 0.00 0.00 0.00 174.94 175.44 1t9a s PRO 183 N 0.85 4.25 -0.22 2.79 0.04 -1.26 -2.84 135.00 138.61 1t9a s PRO 183 Ca 0.06 2.11 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 1t9a s PRO 183 Cb -0.13 -3.60 0.06 0.00 0.04 0.00 0.00 34.50 30.87 1t9a s PRO 183 CO 0.03 -0.65 0.56 1.41 0.04 0.00 0.00 177.00 178.39 1t9a s MET 184 N 2.56 0.59 -0.28 4.56 1.75 -1.05 -1.95 119.30 125.48 1t9a s MET 184 Ca 0.68 0.94 -0.04 0.00 -1.25 0.00 0.00 55.69 56.02 1t9a s MET 184 Cb -0.35 0.14 0.02 0.00 2.84 0.00 0.00 34.83 37.49 1t9a s MET 184 CO 0.29 -0.13 0.01 0.08 -0.65 0.00 0.00 175.02 174.62 1t9a s VAL 185 N 1.13 3.37 -0.31 10.11 1.01 0.09 -0.71 120.40 135.08 1t9a s VAL 185 Ca -0.07 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1t9a s VAL 185 Cb -0.06 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1t9a s VAL 185 CO -0.11 0.11 0.16 -0.69 0.00 0.00 0.00 175.10 174.57 1t9a s VAL 186 N 1.39 4.66 -0.31 2.92 1.01 0.43 -1.54 120.40 128.96 1t9a s VAL 186 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1t9a s VAL 186 Cb -0.17 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1t9a s VAL 186 CO -0.01 0.07 0.21 -0.36 0.00 0.00 0.00 175.10 175.00 1t9a s PHE 187 N 1.62 3.21 -0.12 5.22 0.40 0.63 -0.63 117.98 128.32 1t9a s PHE 187 Ca 0.05 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1t9a s PHE 187 Cb -0.17 -2.42 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 1t9a s PHE 187 CO 0.07 -0.31 -0.14 0.95 0.70 0.00 0.00 175.22 176.48 1t9a s THR 188 N 1.71 2.99 0.61 0.64 -4.23 -0.86 -1.27 115.64 115.23 1t9a s THR 188 Ca 0.06 -0.69 -0.16 0.00 -1.18 0.00 0.00 61.69 59.72 1t9a s THR 188 Cb -0.17 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1t9a s THR 188 CO 0.10 0.53 1.09 -0.83 -0.54 0.00 0.00 174.62 174.97 1t9a s GLY 189 N 0.24 2.24 0.16 3.99 0.00 -0.34 0.49 107.32 114.10 1t9a s GLY 189 Ca -0.09 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.18 1t9a s GLY 189 CO 0.05 0.87 -0.01 1.62 0.00 0.00 0.00 173.10 175.64 1t9a s GLN 190 N -3.91 1.05 0.85 2.90 2.00 0.52 -2.04 119.66 121.02 1t9a s GLN 190 Ca 0.67 -1.49 -0.11 0.00 -2.00 0.00 0.00 55.36 52.42 1t9a s GLN 190 Cb -0.19 -0.22 0.10 0.00 0.80 0.00 0.00 33.01 33.50 1t9a s GLN 190 CO 0.36 -0.12 1.09 0.14 -0.50 0.00 0.00 175.29 176.26 1t9a s VAL 191 N -3.68 2.91 0.34 1.34 -7.23 -1.26 -0.87 120.40 111.95 1t9a s VAL 191 Ca 0.22 0.30 -0.27 0.00 -1.81 0.00 0.00 61.98 60.41 1t9a s VAL 191 Cb 0.06 -2.83 -0.12 0.00 0.56 0.00 0.00 36.38 34.05 1t9a s VAL 191 CO 0.02 -0.39 1.14 -2.65 -0.31 0.00 0.00 175.10 172.92 1t9a n PRO 192 N -3.71 1.71 -0.17 4.82 -0.02 -1.26 -3.81 135.00 132.55 1t9a n PRO 192 Ca 0.07 0.60 0.28 0.00 -2.02 0.00 0.00 63.50 62.44 1t9a n PRO 192 Cb 0.55 -2.11 0.72 0.00 -0.02 0.00 0.00 33.50 32.64 1t9a n PRO 192 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1t9a h THR 193 N 2.14 0.56 0.00 3.45 1.35 -1.91 0.39 112.91 118.88 1t9a h THR 193 Ca -0.44 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1t9a h THR 193 Cb 1.31 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1t9a h THR 193 CO 0.61 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.34 1t9a n SER 194 N -4.27 0.00 -0.00 5.36 3.41 -1.26 -2.92 113.62 113.94 1t9a n SER 194 Ca 0.18 0.31 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 1t9a n SER 194 Cb 0.95 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1t9a n SER 194 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t9a n ALA 195 N -1.43 3.47 -1.72 7.33 0.00 0.13 -4.96 120.51 123.33 1t9a n ALA 195 Ca 0.08 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1t9a n ALA 195 Cb 0.25 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1t9a n ALA 195 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1t9a n ILE 196 N -1.62 0.38 -0.70 0.00 5.41 -1.05 -1.94 119.36 119.84 1t9a n ILE 196 Ca 0.01 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1t9a n ILE 196 Cb 0.30 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 1t9a n ILE 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1t9a n GLY 197 N 3.27 0.64 0.34 7.39 0.00 -1.26 -4.92 105.19 110.65 1t9a n GLY 197 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1t9a n GLY 197 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t9a n THR 198 N -2.70 1.09 -3.46 2.61 -2.24 -0.82 -4.96 114.28 103.80 1t9a n THR 198 Ca 0.00 -1.09 -0.19 0.00 -2.27 0.00 0.00 64.05 60.51 1t9a n THR 198 Cb 0.00 0.44 0.09 0.00 -2.10 0.00 0.00 70.33 68.76 1t9a n THR 198 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1t9a n ASP 199 N -0.06 -3.40 -4.73 3.42 8.00 -1.26 -4.96 116.55 113.56 1t9a n ASP 199 Ca 0.07 -0.58 -0.30 0.00 0.71 0.00 0.00 54.79 54.68 1t9a n ASP 199 Cb 0.37 -5.01 0.13 0.00 -0.02 0.00 0.00 41.12 36.59 1t9a n ASP 199 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t9a s ALA 200 N -3.34 1.74 0.10 2.24 0.00 -1.26 -4.94 121.76 116.30 1t9a s ALA 200 Ca 0.18 0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.87 1t9a s ALA 200 Cb -0.08 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 1t9a s ALA 200 CO 0.72 -2.20 1.79 0.34 0.00 0.00 0.00 175.76 176.41 1t9a n PHE 201 N -3.79 2.50 -3.44 0.00 7.35 -1.26 -2.07 117.46 116.75 1t9a n PHE 201 Ca 0.08 -0.03 -0.25 0.00 -0.76 0.00 0.00 57.45 56.49 1t9a n PHE 201 Cb 0.54 -2.68 0.04 0.00 0.35 0.00 0.00 39.48 37.74 1t9a n PHE 201 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1t9a n GLN 202 N 5.30 -5.75 -3.96 -4.13 6.02 -1.26 -4.90 117.38 108.70 1t9a n GLN 202 Ca 0.19 0.76 -0.36 0.00 -0.01 0.00 0.00 57.00 57.57 1t9a n GLN 202 Cb 0.34 -5.66 -0.07 0.00 1.02 0.00 0.00 30.24 25.86 1t9a n GLN 202 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1t9a s GLU 203 N -6.14 3.54 0.00 -1.09 2.12 -0.88 -1.40 118.70 114.85 1t9a s GLU 203 Ca 0.49 -0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.52 1t9a s GLU 203 Cb -0.23 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1t9a s GLU 203 CO 0.60 0.64 0.15 0.00 -0.54 0.00 0.00 175.26 176.10 1t9a s ALA 204 N -0.63 -0.35 -1.29 6.30 0.00 -1.26 -4.78 121.76 119.75 1t9a s ALA 204 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 1t9a s ALA 204 Cb -0.12 0.11 0.15 0.00 0.00 0.00 0.00 23.12 23.26 1t9a s ALA 204 CO 0.02 -0.21 1.83 -3.47 0.00 0.00 0.00 175.76 173.94 1t9a n ASP 205 N 1.45 4.96 -0.06 0.00 2.03 -1.26 -4.74 116.55 118.93 1t9a n ASP 205 Ca -0.23 -3.05 -0.03 0.00 0.52 0.00 0.00 54.79 52.01 1t9a n ASP 205 Cb 0.56 -1.53 0.20 0.00 -0.72 0.00 0.00 41.12 39.63 1t9a n ASP 205 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1t9a h VAL 206 N 4.01 1.24 -0.80 5.18 -1.51 -1.98 -0.04 116.25 122.35 1t9a h VAL 206 Ca 0.40 -1.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.86 1t9a h VAL 206 Cb 0.68 0.99 -0.04 0.00 -2.13 0.00 0.00 31.29 30.80 1t9a h VAL 206 CO 1.58 0.34 0.44 0.58 -1.23 0.00 0.00 177.57 179.28 1t9a h VAL 207 N 0.62 1.24 -0.30 7.19 2.07 -1.95 0.19 116.25 125.30 1t9a h VAL 207 Ca 0.12 -0.60 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 1t9a h VAL 207 Cb 0.47 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1t9a h VAL 207 CO 0.02 0.27 -0.52 1.23 0.02 0.00 0.00 177.57 178.59 1t9a h GLY 208 N 1.11 0.96 0.88 2.17 0.00 -1.84 -2.52 103.07 103.83 1t9a h GLY 208 Ca 0.28 -1.10 -0.04 0.00 0.00 0.00 0.00 47.33 46.47 1t9a h GLY 208 CO -0.04 0.99 0.02 -2.22 0.00 0.00 0.00 176.54 175.29 1t9a h ILE 209 N 0.66 1.25 -0.09 2.60 2.04 -0.61 -3.09 117.51 120.27 1t9a h ILE 209 Ca 0.02 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1t9a h ILE 209 Cb 1.13 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1t9a h ILE 209 CO 0.12 0.28 0.00 -1.54 0.00 0.00 0.00 178.15 177.01 1t9a n SER 210 N -4.60 1.09 -0.17 1.72 3.41 0.62 -4.32 113.62 111.37 1t9a n SER 210 Ca -0.03 -1.57 -0.03 0.00 -0.26 0.00 0.00 58.87 56.99 1t9a n SER 210 Cb 0.24 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1t9a n SER 210 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1t9a h ARG 211 N 1.49 -0.01 -0.00 4.33 9.65 -1.36 -1.91 114.38 126.57 1t9a h ARG 211 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1t9a h ARG 211 Cb 0.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1t9a h ARG 211 CO 0.00 -0.01 -0.08 -1.13 2.80 0.00 0.00 179.97 181.56 1t9a n SER 212 N -5.38 0.23 -0.79 -3.80 3.41 -1.26 -3.91 113.62 102.12 1t9a n SER 212 Ca 0.05 -0.26 0.04 0.00 -0.26 0.00 0.00 58.87 58.45 1t9a n SER 212 Cb 0.28 -0.19 0.18 0.00 -0.26 0.00 0.00 64.21 64.22 1t9a n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t9a s THR 214 N -2.92 0.07 0.20 0.00 -4.23 -1.05 -4.19 115.64 103.52 1t9a s THR 214 Ca 0.38 -0.57 0.25 0.00 -1.18 0.00 0.00 61.69 60.57 1t9a s THR 214 Cb 0.37 -0.44 0.26 0.00 1.34 0.00 0.00 72.50 74.03 1t9a s THR 214 CO -0.08 -0.31 1.89 0.11 -0.54 0.00 0.00 174.62 175.69 1t9a h LYS 215 N 4.41 0.00 -1.33 3.99 1.57 -1.09 -3.46 116.57 120.66 1t9a h LYS 215 Ca -0.30 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1t9a h LYS 215 Cb 1.19 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.25 1t9a h LYS 215 CO 0.40 0.19 0.73 -0.46 -0.57 0.00 0.00 179.45 179.74 1t9a s TRP 216 N -3.77 -0.22 0.20 -1.35 -0.00 -1.26 -5.08 118.94 107.46 1t9a s TRP 216 Ca -0.00 0.39 -0.11 0.00 -0.00 0.00 0.00 56.10 56.38 1t9a s TRP 216 Cb 0.11 0.47 -0.00 0.00 -0.00 0.00 0.00 33.47 34.04 1t9a s TRP 216 CO 0.62 -0.20 0.37 0.54 -0.00 0.00 0.00 176.95 178.28 1t9a s ASN 217 N -0.99 -0.03 -0.06 5.86 2.20 -1.26 -2.36 114.94 118.30 1t9a s ASN 217 Ca 0.03 -0.88 -0.29 0.00 -0.94 0.00 0.00 52.86 50.78 1t9a s ASN 217 Cb -0.01 0.50 0.11 0.00 -2.00 0.00 0.00 41.25 39.85 1t9a s ASN 217 CO -0.03 -0.99 0.89 0.54 -2.94 0.00 0.00 177.10 174.56 1t9a s VAL 218 N -3.99 0.00 -0.26 3.54 0.11 -0.52 -4.96 120.40 114.33 1t9a s VAL 218 Ca 0.20 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1t9a s VAL 218 Cb 0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1t9a s VAL 218 CO 0.04 0.00 -0.03 -0.32 -3.33 0.00 0.00 175.10 171.46 1t9a s MET 219 N -2.16 2.91 -0.03 1.54 1.75 -1.26 0.19 119.30 122.24 1t9a s MET 219 Ca 0.00 -0.94 -0.30 0.00 -1.25 0.00 0.00 55.69 53.21 1t9a s MET 219 Cb -0.01 -3.07 -0.06 0.00 2.84 0.00 0.00 34.83 34.53 1t9a s MET 219 CO -0.03 -0.40 1.73 0.08 -0.65 0.00 0.00 175.02 175.75 1t9a s VAL 220 N 1.37 3.42 -0.56 10.11 1.01 -0.55 -4.88 120.40 130.32 1t9a s VAL 220 Ca 0.01 0.54 0.23 0.00 0.00 0.00 0.00 61.98 62.76 1t9a s VAL 220 Cb -0.17 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 1t9a s VAL 220 CO -0.03 -0.04 1.09 0.29 0.00 0.00 0.00 175.10 176.41 1t9a n LYS 221 N 7.14 0.33 -3.64 2.72 5.02 -1.26 -4.41 118.16 124.06 1t9a n LYS 221 Ca 0.18 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 1t9a n LYS 221 Cb 0.42 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1t9a n LYS 221 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1t9a s SER 222 N -4.17 -0.34 0.50 4.39 1.04 -1.26 -4.97 113.70 108.88 1t9a s SER 222 Ca 0.04 0.08 0.23 0.00 0.48 0.00 0.00 55.95 56.77 1t9a s SER 222 Cb 0.14 0.44 1.30 0.00 0.10 0.00 0.00 66.02 67.99 1t9a s SER 222 CO 0.78 -0.67 2.04 1.62 0.98 0.00 0.00 173.24 178.00 1t9a h VAL 223 N 2.99 0.77 -0.15 5.02 3.04 -1.93 -2.35 116.25 123.63 1t9a h VAL 223 Ca -0.31 -0.57 -0.04 0.00 -1.01 0.00 0.00 66.70 64.77 1t9a h VAL 223 Cb 1.20 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.82 1t9a h VAL 223 CO 0.42 0.14 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.73 1t9a h GLU 224 N 0.00 0.23 -0.15 4.17 3.07 -1.94 -2.57 114.58 117.39 1t9a h GLU 224 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1t9a h GLU 224 Cb 0.33 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1t9a h GLU 224 CO 0.02 0.31 0.00 -0.85 -1.40 0.00 0.00 179.01 177.09 1t9a n GLU 225 N -4.33 2.16 -0.00 2.33 0.28 -0.89 -4.45 120.64 115.73 1t9a n GLU 225 Ca -0.01 -1.72 -0.10 0.00 -0.16 0.00 0.00 57.16 55.17 1t9a n GLU 225 Cb 0.22 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.57 1t9a n GLU 225 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1t9a h LEU 226 N 3.83 -0.07 -0.62 -1.84 5.85 -1.38 -1.31 115.31 119.77 1t9a h LEU 226 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1t9a h LEU 226 Cb 0.83 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1t9a h LEU 226 CO 0.00 -0.02 0.40 -0.65 -0.34 0.00 0.00 178.44 177.83 1t9a h PRO 227 N 0.02 0.77 0.17 5.25 0.11 -1.78 -1.62 132.00 134.91 1t9a h PRO 227 Ca 0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1t9a h PRO 227 Cb 0.06 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1t9a h PRO 227 CO -0.09 0.51 -0.14 1.25 -0.21 0.00 0.00 178.00 179.32 1t9a h LEU 228 N 0.79 -0.36 -0.71 2.35 5.85 -1.19 -1.62 115.31 120.43 1t9a h LEU 228 Ca 0.24 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1t9a h LEU 228 Cb -0.03 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1t9a h LEU 228 CO -0.08 -0.22 0.45 0.03 -0.34 0.00 0.00 178.44 178.28 1t9a h ARG 229 N -0.32 0.85 -0.43 1.25 2.47 -1.06 -0.57 114.38 116.57 1t9a h ARG 229 Ca -0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1t9a h ARG 229 Cb 0.29 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1t9a h ARG 229 CO -0.02 0.56 0.28 0.82 0.56 0.00 0.00 179.97 182.18 1t9a h ILE 230 N 0.88 1.12 -0.65 2.04 2.04 -1.12 -0.21 117.51 121.59 1t9a h ILE 230 Ca 0.28 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 1t9a h ILE 230 Cb 0.00 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1t9a h ILE 230 CO -0.10 0.11 0.20 0.78 0.00 0.00 0.00 178.15 179.14 1t9a h ASN 231 N 0.59 0.93 -0.47 1.72 2.35 -0.76 -1.95 115.58 117.98 1t9a h ASN 231 Ca 0.16 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1t9a h ASN 231 Cb -0.06 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1t9a h ASN 231 CO -0.03 0.87 -0.10 -0.33 -1.65 0.00 0.00 177.43 176.19 1t9a h GLU 232 N 0.96 0.89 0.05 0.81 5.08 -0.76 -2.36 114.58 119.25 1t9a h GLU 232 Ca 0.21 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1t9a h GLU 232 Cb 0.28 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1t9a h GLU 232 CO -0.01 0.98 -0.11 0.00 -1.00 0.00 0.00 179.01 178.88 1t9a h ALA 233 N 0.88 -0.16 -0.39 3.43 0.00 -0.67 -0.35 119.26 122.00 1t9a h ALA 233 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1t9a h ALA 233 Cb 0.65 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1t9a h ALA 233 CO 0.04 -0.61 0.01 0.74 0.00 0.00 0.00 179.25 179.43 1t9a h PHE 234 N -0.20 0.64 -0.27 0.00 -1.00 -1.35 -1.36 116.94 113.40 1t9a h PHE 234 Ca 0.02 -0.07 -0.11 0.00 2.81 0.00 0.00 57.97 60.62 1t9a h PHE 234 Cb 0.23 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 1t9a h PHE 234 CO -0.14 0.61 -0.28 1.49 -1.61 0.00 0.00 178.31 178.38 1t9a h GLU 235 N 0.59 0.67 -0.17 1.51 4.81 -1.09 -2.65 114.58 118.24 1t9a h GLU 235 Ca 0.12 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 58.87 1t9a h GLU 235 Cb 0.35 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1t9a h GLU 235 CO 0.01 0.96 -0.44 0.82 -0.73 0.00 0.00 179.01 179.64 1t9a h ILE 236 N 0.40 1.31 -0.09 2.32 2.04 -0.94 -2.44 117.51 120.12 1t9a h ILE 236 Ca 0.04 -1.61 -0.11 0.00 1.00 0.00 0.00 64.86 64.18 1t9a h ILE 236 Cb 0.84 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1t9a h ILE 236 CO 0.07 0.49 -0.44 0.00 0.00 0.00 0.00 178.15 178.27 1t9a h ALA 237 N 1.20 1.10 -0.19 1.87 0.00 -1.22 -3.28 119.26 118.73 1t9a h ALA 237 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1t9a h ALA 237 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1t9a h ALA 237 CO 0.08 0.60 0.00 0.25 0.00 0.00 0.00 179.25 180.18 1t9a n THR 238 N -4.00 0.29 -4.12 0.00 -2.24 -1.00 -1.80 114.28 101.40 1t9a n THR 238 Ca -0.02 -0.65 -0.25 0.00 -2.27 0.00 0.00 64.05 60.87 1t9a n THR 238 Cb 0.49 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 1t9a n THR 238 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1t9a s SER 239 N -1.42 4.45 1.10 3.42 1.04 -0.93 -4.79 113.70 116.57 1t9a s SER 239 Ca 0.27 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1t9a s SER 239 Cb 0.17 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1t9a s SER 239 CO 0.25 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1t9a n GLY 240 N -1.30 2.94 3.62 7.32 0.00 -1.26 -3.74 105.19 112.78 1t9a n GLY 240 Ca -0.02 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1t9a n GLY 240 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1t9a s ARG 241 N 0.00 4.06 0.84 1.61 3.52 -1.26 -4.98 118.95 122.74 1t9a s ARG 241 Ca 0.00 0.61 -0.15 0.00 -0.13 0.00 0.00 55.73 56.06 1t9a s ARG 241 Cb 0.00 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1t9a s ARG 241 CO 0.00 -0.53 0.23 -2.30 -0.81 0.00 0.00 175.30 171.89 1t9a n PRO 242 N 5.93 0.02 -3.81 5.12 -0.02 -1.25 -4.95 135.00 136.04 1t9a n PRO 242 Ca 0.02 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.57 1t9a n PRO 242 Cb 0.48 -1.65 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 1t9a n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1t9a s GLY 243 N -1.57 -0.30 0.33 -1.23 0.00 -0.75 -3.82 107.32 99.99 1t9a s GLY 243 Ca 0.58 0.43 -0.08 0.00 0.00 0.00 0.00 44.72 45.64 1t9a s GLY 243 CO 0.66 3.29 0.65 2.56 0.00 0.00 0.00 173.10 180.27 1t9a s PRO 244 N -2.11 3.73 0.04 2.90 0.04 -1.13 -2.52 135.00 135.95 1t9a s PRO 244 Ca 0.23 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.55 1t9a s PRO 244 Cb 0.03 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1t9a s PRO 244 CO -0.03 0.12 -0.05 0.14 0.04 0.00 0.00 177.00 177.22 1t9a s VAL 245 N -2.17 0.32 -0.04 -0.36 -7.23 0.11 -0.45 120.40 110.58 1t9a s VAL 245 Ca 0.48 -1.16 0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1t9a s VAL 245 Cb -0.11 -0.65 -0.01 0.00 0.56 0.00 0.00 36.38 36.18 1t9a s VAL 245 CO 0.29 -0.55 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.12 1t9a s LEU 246 N -1.81 1.97 -0.23 1.32 0.20 -0.99 -0.43 118.68 118.70 1t9a s LEU 246 Ca -0.09 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.36 1t9a s LEU 246 Cb -0.07 -1.05 0.06 0.00 -0.43 0.00 0.00 46.19 44.70 1t9a s LEU 246 CO -0.02 0.19 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.45 1t9a s VAL 247 N -0.09 1.77 -0.00 1.68 1.01 0.20 -1.43 120.40 123.54 1t9a s VAL 247 Ca -0.02 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.37 1t9a s VAL 247 Cb -0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1t9a s VAL 247 CO 0.02 -0.01 0.92 -0.62 0.00 0.00 0.00 175.10 175.41 1t9a s ASP 248 N 1.30 7.30 -0.42 3.32 2.15 0.13 -2.02 116.67 128.43 1t9a s ASP 248 Ca -0.06 1.58 0.04 0.00 0.43 0.00 0.00 52.55 54.54 1t9a s ASP 248 Cb -0.19 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.01 1t9a s ASP 248 CO -0.06 -0.21 0.14 -0.76 -0.17 0.00 0.00 175.17 174.11 1t9a s LEU 249 N 0.88 4.61 0.26 -1.34 1.43 0.18 -1.49 118.68 123.21 1t9a s LEU 249 Ca 0.49 -2.50 -0.31 0.00 -1.03 0.00 0.00 54.13 50.78 1t9a s LEU 249 Cb -0.21 -1.64 -0.12 0.00 0.03 0.00 0.00 46.19 44.25 1t9a s LEU 249 CO 0.26 -0.33 1.55 -2.65 0.23 0.00 0.00 176.35 175.42 1t9a n PRO 250 N 3.80 2.49 -0.26 1.29 -0.02 -1.26 -0.36 135.00 140.68 1t9a n PRO 250 Ca 0.04 0.89 0.17 0.00 -2.02 0.00 0.00 63.50 62.58 1t9a n PRO 250 Cb 0.38 -2.64 0.46 0.00 -0.02 0.00 0.00 33.50 31.68 1t9a n PRO 250 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1t9a h LYS 251 N 4.87 0.50 0.00 -0.52 3.64 -1.10 0.56 116.57 124.52 1t9a h LYS 251 Ca -0.46 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 1t9a h LYS 251 Cb 1.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1t9a h LYS 251 CO 0.80 0.33 -0.30 0.38 -2.27 0.00 0.00 179.45 178.39 1t9a h ASP 252 N 0.51 0.00 0.10 4.20 2.03 -1.86 -1.41 116.42 120.00 1t9a h ASP 252 Ca 0.47 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.49 1t9a h ASP 252 Cb 1.02 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.55 1t9a h ASP 252 CO -0.20 0.30 -1.16 0.58 -1.03 0.00 0.00 179.24 177.72 1t9a h VAL 253 N 0.00 1.30 0.00 4.15 2.07 -1.26 -1.66 116.25 120.85 1t9a h VAL 253 Ca -0.00 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.03 1t9a h VAL 253 Cb 0.78 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1t9a h VAL 253 CO 0.04 0.73 -0.38 0.71 0.02 0.00 0.00 177.57 178.69 1t9a h THR 254 N 0.23 0.70 0.00 2.57 1.35 -1.38 -3.13 112.91 113.25 1t9a h THR 254 Ca -0.17 -1.84 -0.09 0.00 -0.55 0.00 0.00 66.41 63.76 1t9a h THR 254 Cb 1.84 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 70.48 1t9a h THR 254 CO 0.22 0.38 -0.94 0.00 -0.25 0.00 0.00 175.52 174.93 1t9a h ALA 255 N 1.62 0.65 -2.65 6.62 0.00 -1.33 -0.39 119.26 123.78 1t9a h ALA 255 Ca -0.00 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 53.95 1t9a h ALA 255 Cb 1.20 0.09 0.14 0.00 0.00 0.00 0.00 17.79 19.22 1t9a h ALA 255 CO 0.05 0.50 0.40 0.00 0.00 0.00 0.00 179.25 180.20 1t9a s ALA 256 N -3.09 2.28 -0.12 0.00 0.00 -0.63 -4.66 121.76 115.54 1t9a s ALA 256 Ca 0.00 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 1t9a s ALA 256 Cb 0.08 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1t9a s ALA 256 CO 0.78 -1.60 0.06 0.42 0.00 0.00 0.00 175.76 175.41 1t9a s ILE 257 N -2.01 4.81 -0.31 0.00 1.01 -1.26 -1.29 121.20 122.14 1t9a s ILE 257 Ca 0.73 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1t9a s ILE 257 Cb -0.27 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1t9a s ILE 257 CO 0.42 0.57 1.40 -0.22 0.00 0.00 0.00 174.94 177.11 1t9a s LEU 258 N -0.56 3.80 -0.11 2.97 2.96 0.23 -4.86 118.68 123.12 1t9a s LEU 258 Ca 0.11 1.19 0.14 0.00 -0.22 0.00 0.00 54.13 55.35 1t9a s LEU 258 Cb -0.12 -3.54 0.39 0.00 0.50 0.00 0.00 46.19 43.42 1t9a s LEU 258 CO 0.02 -1.22 1.30 0.54 -1.32 0.00 0.00 176.35 175.67 1t9a n ARG 259 N 7.59 2.63 -3.94 1.98 1.74 -1.26 -0.27 116.66 125.13 1t9a n ARG 259 Ca 0.16 -2.49 -0.14 0.00 -0.77 0.00 0.00 57.85 54.62 1t9a n ARG 259 Cb 0.47 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 1t9a n ARG 259 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1t9a s ASN 260 N -1.79 0.22 0.55 0.55 0.01 -1.26 -5.03 114.94 108.19 1t9a s ASN 260 Ca 0.32 -0.02 -0.19 0.00 -0.71 0.00 0.00 52.86 52.25 1t9a s ASN 260 Cb 0.25 -0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.80 1t9a s ASN 260 CO 0.09 -0.01 1.15 -2.84 -1.51 0.00 0.00 177.10 173.98 1t9a s PRO 261 N 0.20 3.26 0.20 -0.60 0.02 -1.26 -4.78 135.00 132.04 1t9a s PRO 261 Ca -0.02 1.68 0.09 0.00 0.02 0.00 0.00 61.00 62.77 1t9a s PRO 261 Cb -0.04 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 1t9a s PRO 261 CO -0.01 -0.94 -0.17 0.96 -0.33 0.00 0.00 177.00 176.52 1t9a s ILE 262 N -1.71 1.88 0.10 2.83 -4.36 -0.40 -4.89 121.20 114.65 1t9a s ILE 262 Ca 0.74 -2.10 -0.35 0.00 -0.26 0.00 0.00 60.65 58.68 1t9a s ILE 262 Cb -0.26 -1.99 -0.14 0.00 1.25 0.00 0.00 42.46 41.32 1t9a s ILE 262 CO 0.29 -0.43 1.55 -2.65 0.24 0.00 0.00 174.94 173.94 1t9a n PRO 263 N -0.09 1.84 -0.31 0.37 -0.02 -1.26 0.12 135.00 135.65 1t9a n PRO 263 Ca -0.10 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 1t9a n PRO 263 Cb 0.59 -2.40 0.34 0.00 -0.02 0.00 0.00 33.50 32.01 1t9a n PRO 263 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1t9a h THR 264 N 3.79 0.82 -0.31 3.45 2.02 -1.76 -2.20 112.91 118.73 1t9a h THR 264 Ca -0.46 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1t9a h THR 264 Cb 1.28 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1t9a h THR 264 CO 0.87 0.14 0.09 0.07 0.37 0.00 0.00 175.52 177.05 1t9a h LYS 265 N 0.76 0.20 0.00 6.66 2.10 -1.89 -2.31 116.57 122.09 1t9a h LYS 265 Ca 0.49 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1t9a h LYS 265 Cb 0.73 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1t9a h LYS 265 CO -0.25 0.13 0.00 0.25 -2.00 0.00 0.00 179.45 177.59 1t9a n THR 266 N -5.05 0.26 0.30 0.07 -2.24 -0.83 -1.88 114.28 104.91 1t9a n THR 266 Ca -0.00 0.07 0.03 0.00 -2.27 0.00 0.00 64.05 61.88 1t9a n THR 266 Cb 0.12 -0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1t9a n THR 266 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t9a n THR 267 N -1.08 0.00 -4.02 4.28 -2.24 -0.88 -2.14 114.28 108.20 1t9a n THR 267 Ca 0.04 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 1t9a n THR 267 Cb 0.03 1.07 -0.13 0.00 -2.10 0.00 0.00 70.33 69.20 1t9a n THR 267 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1t9a s LEU 268 N -1.48 3.17 1.02 3.22 1.43 -0.79 -5.06 118.68 120.20 1t9a s LEU 268 Ca 0.05 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 52.66 1t9a s LEU 268 Cb 0.05 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.38 1t9a s LEU 268 CO 0.18 0.03 -0.97 -2.65 0.23 0.00 0.00 176.35 173.18 1t9a n PRO 269 N 4.44 -0.59 0.00 1.29 -0.02 -1.26 -4.96 135.00 133.90 1t9a n PRO 269 Ca -0.17 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 1t9a n PRO 269 Cb 0.52 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1t9a n PRO 269 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1t9a n THR 277 N -3.81 0.00 -1.89 3.45 -1.04 -1.26 -5.17 114.28 104.56 1t9a n THR 277 Ca -0.01 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 1t9a n THR 277 Cb 0.68 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.18 1t9a n THR 277 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1t9a s SER 278 N 0.00 6.46 0.47 8.00 0.15 -1.26 -4.89 113.70 122.63 1t9a s SER 278 Ca 0.00 2.96 0.18 0.00 0.70 0.00 0.00 55.95 59.79 1t9a s SER 278 Cb 0.00 -2.66 1.13 0.00 -1.71 0.00 0.00 66.02 62.77 1t9a s SER 278 CO 0.00 -0.78 2.01 -0.09 1.20 0.00 0.00 173.24 175.58 1t9a h ARG 279 N 3.10 0.00 -0.13 5.44 1.12 -2.05 -1.17 114.38 120.69 1t9a h ARG 279 Ca -0.50 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.20 1t9a h ARG 279 Cb 1.24 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1t9a h ARG 279 CO 0.64 0.17 -0.59 0.00 -3.11 0.00 0.00 179.97 177.09 1t9a h ALA 280 N 1.83 0.24 0.46 2.80 0.00 -1.98 -2.29 119.26 120.31 1t9a h ALA 280 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1t9a h ALA 280 Cb 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1t9a h ALA 280 CO 0.02 0.48 -0.26 0.37 0.00 0.00 0.00 179.25 179.87 1t9a h GLN 281 N 0.27 -0.65 -0.90 0.00 -0.00 -1.73 0.96 115.11 113.06 1t9a h GLN 281 Ca -0.04 0.04 0.14 0.00 -0.00 0.00 0.00 58.65 58.79 1t9a h GLN 281 Cb 1.23 0.15 -0.07 0.00 0.00 0.00 0.00 27.48 28.78 1t9a h GLN 281 CO 0.12 -0.43 0.58 -0.44 0.00 0.00 0.00 178.83 178.66 1t9a h ASP 282 N -0.67 0.69 0.11 -0.69 3.32 -1.31 0.32 116.42 118.18 1t9a h ASP 282 Ca -0.05 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1t9a h ASP 282 Cb 0.54 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1t9a h ASP 282 CO 0.07 0.35 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.49 1t9a h GLU 283 N 0.73 0.36 -0.14 3.56 4.81 -0.84 -0.51 114.58 122.55 1t9a h GLU 283 Ca 0.45 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 59.31 1t9a h GLU 283 Cb 0.68 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1t9a h GLU 283 CO -0.21 0.69 -0.73 0.35 -0.73 0.00 0.00 179.01 178.38 1t9a h PHE 284 N 0.31 0.86 -0.45 0.92 3.57 0.20 -1.73 116.94 120.62 1t9a h PHE 284 Ca 0.03 -0.37 -0.11 0.00 3.53 0.00 0.00 57.97 61.05 1t9a h PHE 284 Cb 0.80 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1t9a h PHE 284 CO 0.02 1.17 -0.16 0.28 -2.23 0.00 0.00 178.31 177.39 1t9a h VAL 285 N 0.45 1.27 -0.31 1.41 2.07 -0.45 -1.74 116.25 118.94 1t9a h VAL 285 Ca -0.04 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1t9a h VAL 285 Cb 1.33 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1t9a h VAL 285 CO 0.14 0.44 0.03 -0.03 0.02 0.00 0.00 177.57 178.17 1t9a h MET 286 N 0.74 0.47 -0.24 1.57 1.85 -1.04 0.88 114.93 119.16 1t9a h MET 286 Ca 0.11 -0.08 -0.14 0.00 -0.61 0.00 0.00 59.70 58.98 1t9a h MET 286 Cb 0.72 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.66 1t9a h MET 286 CO 0.05 0.48 -0.42 0.37 -0.40 0.00 0.00 176.91 176.99 1t9a h GLN 287 N 0.46 0.57 -0.40 0.39 4.15 -0.96 -1.30 115.11 118.01 1t9a h GLN 287 Ca 0.10 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 59.17 1t9a h GLN 287 Cb 0.26 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1t9a h GLN 287 CO 0.00 0.88 -0.00 0.77 -1.93 0.00 0.00 178.83 178.56 1t9a h SER 288 N 0.46 0.69 -0.89 -0.69 0.02 -0.37 -2.03 113.55 110.75 1t9a h SER 288 Ca 0.04 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1t9a h SER 288 Cb 0.92 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 1t9a h SER 288 CO 0.08 0.83 0.52 0.40 -1.14 0.00 0.00 176.83 177.52 1t9a h ILE 289 N 0.54 1.25 -0.59 3.27 2.04 -0.67 0.63 117.51 123.98 1t9a h ILE 289 Ca 0.11 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1t9a h ILE 289 Cb 0.48 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1t9a h ILE 289 CO 0.02 0.27 0.07 0.78 0.00 0.00 0.00 178.15 179.29 1t9a h ASN 290 N 1.23 0.96 -0.61 1.72 2.35 -1.05 0.24 115.58 120.42 1t9a h ASN 290 Ca 0.32 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 1t9a h ASN 290 Cb -0.02 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1t9a h ASN 290 CO -0.06 0.99 0.04 0.11 -1.65 0.00 0.00 177.43 176.86 1t9a h LYS 291 N 0.89 1.05 -0.55 0.81 1.57 -0.89 -0.60 116.57 118.85 1t9a h LYS 291 Ca 0.18 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1t9a h LYS 291 Cb 0.45 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1t9a h LYS 291 CO 0.02 1.01 0.31 0.00 -0.57 0.00 0.00 179.45 180.21 1t9a h ALA 292 N 1.00 0.70 -0.31 3.86 0.00 -0.59 -1.06 119.26 122.85 1t9a h ALA 292 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1t9a h ALA 292 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1t9a h ALA 292 CO 0.02 0.22 0.17 0.00 0.00 0.00 0.00 179.25 179.66 1t9a h ALA 293 N 1.14 0.40 -0.58 0.00 0.00 -0.65 -0.44 119.26 119.13 1t9a h ALA 293 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1t9a h ALA 293 Cb 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1t9a h ALA 293 CO -0.03 -0.07 0.35 -0.44 0.00 0.00 0.00 179.25 179.06 1t9a h ASP 294 N 0.38 0.58 -0.62 0.00 3.32 -0.78 0.16 116.42 119.47 1t9a h ASP 294 Ca 0.11 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1t9a h ASP 294 Cb 0.06 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1t9a h ASP 294 CO -0.02 0.41 0.08 0.25 -1.72 0.00 0.00 179.24 178.24 1t9a h LEU 295 N 0.70 1.01 -0.80 1.55 5.85 -0.97 -2.62 115.31 120.03 1t9a h LEU 295 Ca 0.23 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1t9a h LEU 295 Cb 0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1t9a h LEU 295 CO -0.09 1.02 -0.14 0.40 -0.34 0.00 0.00 178.44 179.28 1t9a h ILE 296 N 0.98 1.26 0.00 4.05 2.04 -0.57 -2.09 117.51 123.18 1t9a h ILE 296 Ca 0.19 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1t9a h ILE 296 Cb 0.45 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1t9a h ILE 296 CO 0.02 0.41 0.00 0.59 0.00 0.00 0.00 178.15 179.16 1t9a n ASN 297 N -4.15 0.25 -0.03 1.72 3.02 -0.00 -2.58 115.26 113.50 1t9a n ASN 297 Ca 0.01 0.56 -0.03 0.00 -0.03 0.00 0.00 54.58 55.10 1t9a n ASN 297 Cb 0.38 -0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 38.80 1t9a n ASN 297 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1t9a n LEU 298 N -1.78 0.40 -4.69 3.41 4.77 -0.82 -4.99 117.00 113.29 1t9a n LEU 298 Ca 0.03 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.77 1t9a n LEU 298 Cb 0.19 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1t9a n LEU 298 CO 0.16 0.27 0.87 0.00 -1.33 0.00 0.00 177.39 177.37 1t9a n ALA 299 N -2.52 1.23 -0.03 -1.18 0.00 -1.00 -4.95 120.51 112.07 1t9a n ALA 299 Ca -0.18 0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1t9a n ALA 299 Cb 0.93 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 1t9a n ALA 299 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t9a n LYS 300 N 0.28 2.04 -3.16 0.00 4.01 -1.26 -4.78 118.16 115.29 1t9a n LYS 300 Ca 0.06 -0.02 -0.21 0.00 -0.51 0.00 0.00 58.31 57.62 1t9a n LYS 300 Cb 0.38 -1.21 -0.04 0.00 -0.51 0.00 0.00 35.03 33.65 1t9a n LYS 300 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1t9a n LYS 301 N -2.17 1.35 -2.47 1.97 5.02 -1.26 -4.82 118.16 115.77 1t9a n LYS 301 Ca -0.10 -3.65 -0.33 0.00 -2.02 0.00 0.00 58.31 52.21 1t9a n LYS 301 Cb 0.63 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 1t9a n LYS 301 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1t9a s PRO 302 N -2.34 3.85 -0.02 1.97 0.04 -1.26 -1.57 135.00 135.66 1t9a s PRO 302 Ca 0.40 1.16 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 1t9a s PRO 302 Cb 0.29 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.73 1t9a s PRO 302 CO -0.09 -0.36 0.05 0.08 0.04 0.00 0.00 177.00 176.72 1t9a s VAL 303 N -2.30 -0.01 -0.30 -0.36 1.01 -0.46 -4.12 120.40 113.87 1t9a s VAL 303 Ca 0.63 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1t9a s VAL 303 Cb -0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1t9a s VAL 303 CO 0.25 0.01 0.19 -0.76 0.00 0.00 0.00 175.10 174.78 1t9a s LEU 304 N 0.16 4.10 -0.52 3.92 1.43 -0.22 -0.95 118.68 126.59 1t9a s LEU 304 Ca -0.01 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1t9a s LEU 304 Cb -0.02 -2.09 0.13 0.00 0.03 0.00 0.00 46.19 44.24 1t9a s LEU 304 CO -0.00 -0.11 0.43 -0.47 0.23 0.00 0.00 176.35 176.42 1t9a s TYR 305 N 1.72 3.38 -0.13 0.29 5.04 -0.42 -0.94 117.35 126.29 1t9a s TYR 305 Ca 0.06 -1.69 -0.05 0.00 -2.44 0.00 0.00 57.07 52.95 1t9a s TYR 305 Cb -0.16 -3.62 -0.04 0.00 0.35 0.00 0.00 41.96 38.49 1t9a s TYR 305 CO 0.10 -1.00 0.05 0.08 -1.34 0.00 0.00 175.55 173.44 1t9a s VAL 306 N 1.34 4.74 0.00 3.14 1.01 0.04 -0.69 120.40 129.97 1t9a s VAL 306 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1t9a s VAL 306 Cb -0.26 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1t9a s VAL 306 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1t9a n GLY 307 N 2.60 5.70 0.36 4.51 0.00 -0.18 -1.38 105.19 116.80 1t9a n GLY 307 Ca -0.18 -1.89 0.19 0.00 0.00 0.00 0.00 46.02 44.14 1t9a n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t9a h ALA 308 N 1.00 2.16 -0.38 4.61 0.00 -1.41 -2.70 119.26 122.55 1t9a h ALA 308 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1t9a h ALA 308 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1t9a h ALA 308 CO 0.00 -0.52 0.25 0.78 0.00 0.00 0.00 179.25 179.77 1t9a h GLY 309 N 0.00 0.39 2.00 0.00 0.00 -1.28 -1.23 103.07 102.96 1t9a h GLY 309 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1t9a h GLY 309 CO -0.00 0.11 0.00 1.19 0.00 0.00 0.00 176.54 177.84 1t9a h ILE 310 N 0.33 0.00 -0.01 2.60 6.09 -1.69 -2.43 117.51 122.40 1t9a h ILE 310 Ca 0.16 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 1t9a h ILE 310 Cb 0.22 1.42 0.00 0.00 0.47 0.00 0.00 36.82 38.93 1t9a h ILE 310 CO -0.04 0.00 -0.07 0.18 -3.07 0.00 0.00 178.15 175.15 1t9a n LEU 311 N -2.98 1.04 -1.08 2.19 4.77 -0.46 -3.95 117.00 116.53 1t9a n LEU 311 Ca 0.01 -0.30 0.03 0.00 -0.03 0.00 0.00 56.01 55.72 1t9a n LEU 311 Cb 0.29 -0.06 0.18 0.00 -2.33 0.00 0.00 43.42 41.50 1t9a n LEU 311 CO 0.26 0.18 0.53 0.59 -1.33 0.00 0.00 177.39 177.62 1t9a n ASN 312 N -0.34 2.99 -3.71 -1.43 5.03 -0.92 -4.75 115.26 112.12 1t9a n ASN 312 Ca 0.17 -2.38 -0.12 0.00 0.87 0.00 0.00 54.58 53.13 1t9a n ASN 312 Cb 0.31 -0.56 -0.11 0.00 -1.02 0.00 0.00 39.78 38.41 1t9a n ASN 312 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1t9a s HIS 313 N -1.76 -0.53 0.40 3.10 2.46 -1.25 -5.05 115.29 112.66 1t9a s HIS 313 Ca 0.24 1.19 0.12 0.00 0.47 0.00 0.00 55.06 57.07 1t9a s HIS 313 Cb 0.18 0.21 0.94 0.00 -0.13 0.00 0.00 32.58 33.78 1t9a s HIS 313 CO 0.08 -0.29 1.93 0.00 -2.47 0.00 0.00 174.74 173.99 1t9a h ALA 314 N 6.47 1.95 -0.02 1.58 0.00 -1.89 -1.16 119.26 126.19 1t9a h ALA 314 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1t9a h ALA 314 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1t9a h ALA 314 CO 0.28 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 1t9a n ASP 315 N -4.49 1.49 -0.04 0.00 8.00 -1.26 -4.52 116.55 115.74 1t9a n ASP 315 Ca 0.13 -1.51 -0.11 0.00 0.71 0.00 0.00 54.79 54.02 1t9a n ASP 315 Cb 0.42 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1t9a n ASP 315 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1t9a h GLY 316 N 4.87 -1.24 0.42 0.44 0.00 -1.36 -1.48 103.07 104.72 1t9a h GLY 316 Ca 0.00 0.71 0.11 0.00 0.00 0.00 0.00 47.33 48.14 1t9a h GLY 316 CO 0.00 -0.30 0.42 -2.55 0.00 0.00 0.00 176.54 174.11 1t9a h PRO 317 N -0.38 0.66 -0.06 4.80 0.11 -1.79 -0.99 132.00 134.35 1t9a h PRO 317 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1t9a h PRO 317 Cb 0.47 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1t9a h PRO 317 CO -0.36 0.44 0.04 -0.09 -0.21 0.00 0.00 178.00 177.82 1t9a h ARG 318 N 0.68 0.08 -0.06 1.05 2.43 -1.75 -0.57 114.38 116.24 1t9a h ARG 318 Ca 0.40 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1t9a h ARG 318 Cb 0.45 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1t9a h ARG 318 CO -0.29 0.07 -0.41 -0.07 -1.51 0.00 0.00 179.97 177.76 1t9a h LEU 319 N 0.07 0.14 -0.12 3.80 3.38 -0.98 -1.07 115.31 120.52 1t9a h LEU 319 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1t9a h LEU 319 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1t9a h LEU 319 CO -0.00 0.54 0.02 0.25 0.09 0.00 0.00 178.44 179.34 1t9a h LEU 320 N 0.11 0.20 -0.80 1.67 5.85 -0.86 -1.25 115.31 120.23 1t9a h LEU 320 Ca 0.01 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1t9a h LEU 320 Cb 0.78 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1t9a h LEU 320 CO 0.06 0.40 0.50 0.50 -0.34 0.00 0.00 178.44 179.55 1t9a h LYS 321 N -0.01 1.08 0.02 1.25 3.64 -0.90 -0.62 116.57 121.02 1t9a h LYS 321 Ca 0.04 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1t9a h LYS 321 Cb 0.28 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1t9a h LYS 321 CO 0.00 0.75 -0.07 1.49 -2.27 0.00 0.00 179.45 179.35 1t9a h GLU 322 N 1.09 -0.12 -0.56 1.90 4.81 -0.99 0.13 114.58 120.85 1t9a h GLU 322 Ca 0.29 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1t9a h GLU 322 Cb -0.06 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1t9a h GLU 322 CO -0.06 -0.08 0.31 1.25 -0.73 0.00 0.00 179.01 179.71 1t9a h LEU 323 N -0.13 0.48 -0.25 1.64 5.85 -0.90 0.24 115.31 122.24 1t9a h LEU 323 Ca 0.02 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1t9a h LEU 323 Cb 0.15 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1t9a h LEU 323 CO -0.05 0.33 0.13 -1.28 -0.34 0.00 0.00 178.44 177.23 1t9a h SER 324 N 0.61 0.20 -0.04 1.25 0.87 -0.70 -0.54 113.55 115.21 1t9a h SER 324 Ca 0.24 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1t9a h SER 324 Cb 0.09 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1t9a h SER 324 CO -0.13 0.15 0.00 0.44 -0.53 0.00 0.00 176.83 176.76 1t9a h ASP 325 N 0.27 0.06 -0.43 6.23 3.32 -0.31 0.13 116.42 125.69 1t9a h ASP 325 Ca 0.10 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 56.93 1t9a h ASP 325 Cb 0.02 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1t9a h ASP 325 CO -0.06 0.32 0.14 -0.09 -1.72 0.00 0.00 179.24 177.84 1t9a h ARG 326 N -0.20 0.30 -0.36 3.56 2.43 -0.39 -3.00 114.38 116.71 1t9a h ARG 326 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1t9a h ARG 326 Cb 0.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1t9a h ARG 326 CO 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 179.97 178.66 1t9a n ALA 327 N -2.40 2.40 -3.56 2.80 0.00 -0.22 -1.19 120.51 118.33 1t9a n ALA 327 Ca 0.03 -0.99 -0.26 0.00 0.00 0.00 0.00 53.44 52.23 1t9a n ALA 327 Cb 0.17 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 18.89 1t9a n ALA 327 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1t9a n GLN 328 N 1.33 -1.97 -4.23 0.00 1.13 0.37 -4.74 117.38 109.28 1t9a n GLN 328 Ca 0.18 0.59 -0.34 0.00 -1.94 0.00 0.00 57.00 55.49 1t9a n GLN 328 Cb 0.56 -4.74 -0.14 0.00 0.11 0.00 0.00 30.24 26.03 1t9a n GLN 328 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1t9a s ILE 329 N -3.47 3.20 0.55 5.09 1.01 -0.64 -4.86 121.20 122.08 1t9a s ILE 329 Ca 0.41 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.28 1t9a s ILE 329 Cb -0.12 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1t9a s ILE 329 CO 0.82 0.47 1.25 -2.84 0.00 0.00 0.00 174.94 174.64 1t9a s PRO 330 N 1.03 3.20 -0.10 2.79 0.02 -1.26 -4.72 135.00 135.96 1t9a s PRO 330 Ca -0.00 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.01 1t9a s PRO 330 Cb -0.15 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1t9a s PRO 330 CO -0.01 -1.06 -0.22 0.08 -0.33 0.00 0.00 177.00 175.46 1t9a s VAL 331 N -1.48 1.90 -0.00 3.83 1.01 0.16 -1.06 120.40 124.76 1t9a s VAL 331 Ca 0.72 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1t9a s VAL 331 Cb -0.34 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1t9a s VAL 331 CO 0.38 0.52 -0.19 0.28 0.00 0.00 0.00 175.10 176.10 1t9a s THR 332 N 0.50 1.48 0.31 3.92 -1.32 -0.11 -0.11 115.64 120.31 1t9a s THR 332 Ca -0.16 -0.86 0.11 0.00 -1.21 0.00 0.00 61.69 59.57 1t9a s THR 332 Cb -0.17 -1.24 -0.06 0.00 -1.51 0.00 0.00 72.50 69.52 1t9a s THR 332 CO 0.06 0.37 -0.15 0.42 -2.21 0.00 0.00 174.62 173.10 1t9a s THR 333 N -0.50 2.36 0.57 5.08 -4.23 -1.15 -0.78 115.64 116.98 1t9a s THR 333 Ca 0.07 -2.32 -0.06 0.00 -1.18 0.00 0.00 61.69 58.20 1t9a s THR 333 Cb -0.07 -2.44 0.12 0.00 1.34 0.00 0.00 72.50 71.45 1t9a s THR 333 CO -0.00 -0.32 0.78 0.35 -0.54 0.00 0.00 174.62 174.89 1t9a n THR 334 N -0.69 0.00 -0.31 3.99 -2.24 -0.48 -2.69 114.28 111.87 1t9a n THR 334 Ca -0.05 -0.81 -0.05 0.00 -2.27 0.00 0.00 64.05 60.88 1t9a n THR 334 Cb 0.61 -1.42 0.08 0.00 -2.10 0.00 0.00 70.33 67.51 1t9a n THR 334 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1t9a h LEU 335 N 0.00 1.07 -0.02 3.22 5.85 -1.91 -2.17 115.31 121.33 1t9a h LEU 335 Ca -0.25 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1t9a h LEU 335 Cb 0.79 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1t9a h LEU 335 CO 0.21 0.87 -0.01 0.00 -0.34 0.00 0.00 178.44 179.18 1t9a n GLN 336 N -4.36 0.72 0.00 1.25 1.13 -1.26 -3.07 117.38 111.78 1t9a n GLN 336 Ca 0.08 -0.02 0.09 0.00 -1.94 0.00 0.00 57.00 55.21 1t9a n GLN 336 Cb 0.11 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.95 1t9a n GLN 336 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t9a n GLY 337 N 1.15 -0.02 3.69 1.08 0.00 -0.83 -3.56 105.19 106.69 1t9a n GLY 337 Ca 0.19 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 1t9a n GLY 337 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t9a n LEU 338 N -0.08 3.71 0.00 0.99 4.77 -1.11 -1.30 117.00 123.98 1t9a n LEU 338 Ca 0.07 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1t9a n LEU 338 Cb 0.37 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1t9a n LEU 338 CO 0.22 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1t9a n GLY 339 N 4.01 1.37 0.20 -0.72 0.00 -1.26 -4.55 105.19 104.23 1t9a n GLY 339 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1t9a n GLY 339 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t9a h SER 340 N 0.00 0.00 -4.08 1.61 4.64 -1.44 -2.14 113.55 112.14 1t9a h SER 340 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1t9a h SER 340 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1t9a h SER 340 CO 0.00 0.05 -0.82 0.12 -0.87 0.00 0.00 176.83 175.31 1t9a s PHE 341 N -3.19 1.44 -0.32 4.77 5.36 -1.26 -4.58 117.98 120.20 1t9a s PHE 341 Ca 0.06 -0.34 -0.29 0.00 -0.96 0.00 0.00 56.93 55.41 1t9a s PHE 341 Cb 0.06 -0.96 -0.01 0.00 -0.34 0.00 0.00 43.02 41.77 1t9a s PHE 341 CO 0.69 -0.08 1.65 0.34 -1.46 0.00 0.00 175.22 176.35 1t9a s ASP 342 N -0.15 6.15 0.00 6.13 -1.08 -1.26 -4.54 116.67 121.92 1t9a s ASP 342 Ca 0.01 1.29 0.16 0.00 -0.52 0.00 0.00 52.55 53.49 1t9a s ASP 342 Cb -0.08 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.66 1t9a s ASP 342 CO 0.00 -1.50 1.46 0.00 0.52 0.00 0.00 175.17 175.65 1t9a n GLN 343 N 8.11 0.22 0.14 4.34 6.02 -0.66 -1.68 117.38 133.87 1t9a n GLN 343 Ca 0.20 0.14 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 1t9a n GLN 343 Cb 0.47 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.50 1t9a n GLN 343 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1t9a h GLU 344 N 0.00 0.00 -6.66 -1.09 4.39 -1.89 -3.46 114.58 105.88 1t9a h GLU 344 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1t9a h GLU 344 Cb 0.15 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1t9a h GLU 344 CO 0.00 0.00 0.61 0.34 -1.16 0.00 0.00 179.01 178.80 1t9a s ASP 345 N -5.08 6.97 0.63 1.42 -1.08 -0.67 -4.92 116.67 113.94 1t9a s ASP 345 Ca 0.08 2.31 0.37 0.00 -0.52 0.00 0.00 52.55 54.80 1t9a s ASP 345 Cb 0.10 -2.61 2.10 0.00 -1.46 0.00 0.00 42.92 41.06 1t9a s ASP 345 CO 0.65 -0.47 2.29 1.55 0.52 0.00 0.00 175.17 179.71 1t9a h PRO 346 N 5.46 0.00 -0.05 4.34 0.13 -1.88 -1.36 132.00 138.64 1t9a h PRO 346 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1t9a h PRO 346 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1t9a h PRO 346 CO 0.77 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.17 1t9a n LYS 347 N -3.44 1.23 -2.69 0.86 5.02 -1.26 -4.84 118.16 113.04 1t9a n LYS 347 Ca -0.03 -0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 55.50 1t9a n LYS 347 Cb 0.11 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1t9a n LYS 347 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1t9a s SER 348 N -1.63 7.36 0.00 4.39 0.15 -0.52 -0.67 113.70 122.78 1t9a s SER 348 Ca 0.31 1.70 0.19 0.00 0.70 0.00 0.00 55.95 58.85 1t9a s SER 348 Cb 0.15 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1t9a s SER 348 CO 0.25 -0.26 0.95 0.18 1.20 0.00 0.00 173.24 175.56 1t9a n LEU 349 N 3.81 1.80 0.00 3.45 4.77 0.84 -4.89 117.00 126.79 1t9a n LEU 349 Ca 0.06 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1t9a n LEU 349 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1t9a n LEU 349 CO 0.52 0.34 0.00 -0.67 -1.33 0.00 0.00 177.39 176.25 1t9a n ASP 350 N -0.07 -0.93 -4.78 -1.43 -0.08 -1.25 -3.91 116.55 104.10 1t9a n ASP 350 Ca 0.08 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.99 1t9a n ASP 350 Cb 0.39 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.79 1t9a n ASP 350 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1t9a s MET 351 N 0.00 4.56 0.45 -0.67 0.00 -1.26 -2.91 119.30 119.46 1t9a s MET 351 Ca 0.00 1.37 0.07 0.00 0.00 0.00 0.00 55.69 57.13 1t9a s MET 351 Cb 0.00 -2.81 -0.02 0.00 0.00 0.00 0.00 34.83 32.00 1t9a s MET 351 CO 0.00 0.25 0.33 -0.48 0.00 0.00 0.00 175.02 175.12 1t9a s LEU 352 N -2.04 3.15 0.00 4.11 2.34 -1.09 0.50 118.68 125.64 1t9a s LEU 352 Ca 0.50 -0.96 0.00 0.00 0.06 0.00 0.00 54.13 53.73 1t9a s LEU 352 Cb -0.20 -1.67 0.00 0.00 -0.56 0.00 0.00 46.19 43.77 1t9a s LEU 352 CO 0.25 -0.73 0.00 0.61 -1.06 0.00 0.00 176.35 175.42 1t9a n GLY 353 N -1.51 -0.43 0.33 -3.48 0.00 -1.26 -4.15 105.19 94.69 1t9a n GLY 353 Ca 0.01 -2.23 0.06 0.00 0.00 0.00 0.00 46.02 43.86 1t9a n GLY 353 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1t9a h MET 354 N 5.95 0.01 -0.09 1.61 4.05 -1.11 -0.82 114.93 124.53 1t9a h MET 354 Ca 0.00 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1t9a h MET 354 Cb 0.00 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1t9a h MET 354 CO 0.00 0.01 -0.37 0.72 0.23 0.00 0.00 176.91 177.50 1t9a n HIS 355 N -5.54 0.27 -2.35 1.39 8.25 -1.26 -0.67 115.22 115.31 1t9a n HIS 355 Ca 0.15 -1.49 -0.26 0.00 -0.26 0.00 0.00 57.72 55.86 1t9a n HIS 355 Cb 0.50 -0.30 0.04 0.00 1.12 0.00 0.00 29.99 31.35 1t9a n HIS 355 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1t9a s GLY 356 N -3.04 1.64 0.23 -1.41 0.00 -0.32 -4.67 107.32 99.75 1t9a s GLY 356 Ca 0.39 -0.79 -0.32 0.00 0.00 0.00 0.00 44.72 44.01 1t9a s GLY 356 CO -0.05 -0.48 1.57 0.00 0.00 0.00 0.00 173.10 174.15 1t9a h ALA 358 N 5.30 1.88 -0.74 0.00 0.00 -1.87 -1.45 119.26 122.38 1t9a h ALA 358 Ca -0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1t9a h ALA 358 Cb 1.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1t9a h ALA 358 CO 0.84 -0.03 0.24 1.15 0.00 0.00 0.00 179.25 181.45 1t9a h THR 359 N 0.57 1.26 -0.33 0.00 2.02 -1.86 0.94 112.91 115.52 1t9a h THR 359 Ca 0.32 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1t9a h THR 359 Cb 0.48 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1t9a h THR 359 CO -0.11 0.35 0.07 0.00 0.37 0.00 0.00 175.52 176.21 1t9a h ALA 360 N 1.12 0.43 -0.59 6.16 0.00 -1.40 -0.67 119.26 124.32 1t9a h ALA 360 Ca 0.24 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1t9a h ALA 360 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1t9a h ALA 360 CO -0.01 0.10 0.07 -0.91 0.00 0.00 0.00 179.25 178.51 1t9a h ASN 361 N 0.37 0.95 -0.65 0.00 2.35 -1.14 -2.10 115.58 115.36 1t9a h ASN 361 Ca 0.10 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 1t9a h ASN 361 Cb 0.31 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1t9a h ASN 361 CO 0.00 0.98 0.16 -0.07 -1.65 0.00 0.00 177.43 176.85 1t9a h LEU 362 N 0.88 0.98 -0.75 1.61 3.38 -0.69 -0.86 115.31 119.87 1t9a h LEU 362 Ca 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1t9a h LEU 362 Cb 0.45 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1t9a h LEU 362 CO 0.02 0.96 0.47 0.00 0.09 0.00 0.00 178.44 179.98 1t9a h ALA 363 N 1.06 0.95 -0.37 1.53 0.00 -0.94 -0.99 119.26 120.51 1t9a h ALA 363 Ca 0.20 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1t9a h ALA 363 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1t9a h ALA 363 CO 0.00 0.40 -0.22 0.28 0.00 0.00 0.00 179.25 179.71 1t9a h VAL 364 N 1.02 1.27 0.00 0.00 2.07 -1.07 0.94 116.25 120.47 1t9a h VAL 364 Ca 0.27 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1t9a h VAL 364 Cb -0.08 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1t9a h VAL 364 CO -0.05 0.44 0.00 1.56 0.02 0.00 0.00 177.57 179.53 1t9a h GLN 365 N 0.63 0.00 -0.00 1.57 1.08 -0.62 -3.27 115.11 114.50 1t9a h GLN 365 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1t9a h GLN 365 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1t9a h GLN 365 CO 0.06 0.00 -0.26 0.09 -0.95 0.00 0.00 178.83 177.76 1t9a n ASN 366 N -2.47 0.52 -4.76 1.46 3.02 -0.42 -3.64 115.26 108.97 1t9a n ASN 366 Ca 0.03 -0.76 -0.37 0.00 -0.03 0.00 0.00 54.58 53.46 1t9a n ASN 366 Cb 0.35 0.84 0.03 0.00 -0.61 0.00 0.00 39.78 40.39 1t9a n ASN 366 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1t9a s ALA 367 N -1.47 2.67 -0.54 5.41 0.00 0.30 -4.81 121.76 123.32 1t9a s ALA 367 Ca 0.03 1.04 0.23 0.00 0.00 0.00 0.00 51.96 53.26 1t9a s ALA 367 Cb 0.05 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1t9a s ALA 367 CO 0.24 -1.09 0.94 -0.40 0.00 0.00 0.00 175.76 175.45 1t9a n ASP 368 N -1.28 0.58 -3.68 0.00 5.75 -0.61 -1.74 116.55 115.57 1t9a n ASP 368 Ca 0.12 -0.22 -0.16 0.00 -0.01 0.00 0.00 54.79 54.52 1t9a n ASP 368 Cb 0.49 0.96 -0.15 0.00 -1.03 0.00 0.00 41.12 41.38 1t9a n ASP 368 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1t9a s LEU 369 N -4.01 0.03 -0.24 -2.12 2.96 -1.24 -1.49 118.68 112.58 1t9a s LEU 369 Ca 0.02 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 1t9a s LEU 369 Cb 0.14 0.30 -0.02 0.00 0.50 0.00 0.00 46.19 47.11 1t9a s LEU 369 CO 0.82 -0.23 0.03 -0.63 -1.32 0.00 0.00 176.35 175.02 1t9a s ILE 370 N 2.13 3.98 -0.63 6.68 1.01 -0.34 -1.36 121.20 132.67 1t9a s ILE 370 Ca 0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 1t9a s ILE 370 Cb -0.12 -2.85 0.16 0.00 0.01 0.00 0.00 42.46 39.67 1t9a s ILE 370 CO -0.06 0.37 0.53 -0.63 0.00 0.00 0.00 174.94 175.15 1t9a s ILE 371 N 1.55 4.74 -0.24 2.92 1.01 -0.12 -1.07 121.20 130.00 1t9a s ILE 371 Ca 0.06 -2.21 -0.28 0.00 0.00 0.00 0.00 60.65 58.22 1t9a s ILE 371 Cb -0.15 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1t9a s ILE 371 CO 0.01 -0.90 0.99 0.00 0.00 0.00 0.00 174.94 175.05 1t9a s ALA 372 N 0.71 3.67 -0.29 9.38 0.00 0.29 -1.30 121.76 134.22 1t9a s ALA 372 Ca 0.12 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1t9a s ALA 372 Cb -0.20 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.50 1t9a s ALA 372 CO -0.03 -1.05 -0.04 0.08 0.00 0.00 0.00 175.76 174.72 1t9a s VAL 373 N 3.14 2.09 -1.27 0.00 1.01 0.13 -0.72 120.40 124.79 1t9a s VAL 373 Ca 0.42 -1.85 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 1t9a s VAL 373 Cb -0.15 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1t9a s VAL 373 CO 0.07 -0.27 1.09 0.61 0.00 0.00 0.00 175.10 176.59 1t9a n GLY 374 N 4.41 -0.45 3.05 4.51 0.00 -0.96 -1.02 105.19 114.73 1t9a n GLY 374 Ca -0.07 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1t9a n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t9a s ALA 375 N -3.33 0.53 -0.19 4.61 0.00 -1.26 -0.89 121.76 121.23 1t9a s ALA 375 Ca 0.33 -0.75 0.16 0.00 0.00 0.00 0.00 51.96 51.70 1t9a s ALA 375 Cb -0.15 0.06 0.51 0.00 0.00 0.00 0.00 23.12 23.54 1t9a s ALA 375 CO 0.72 -0.04 1.41 2.89 0.00 0.00 0.00 175.76 180.74 1t9a n ARG 376 N 1.47 2.70 -4.04 0.00 1.85 -1.26 -4.99 116.66 112.39 1t9a n ARG 376 Ca -0.23 -2.85 -0.29 0.00 -1.00 0.00 0.00 57.85 53.48 1t9a n ARG 376 Cb 0.55 -1.82 -0.02 0.00 -1.05 0.00 0.00 32.46 30.11 1t9a n ARG 376 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1t9a n PHE 377 N -0.64 -1.68 -1.13 2.89 3.01 -1.26 -4.89 117.46 113.75 1t9a n PHE 377 Ca 0.22 0.76 -0.30 0.00 1.01 0.00 0.00 57.45 59.14 1t9a n PHE 377 Cb 0.89 -3.49 0.13 0.00 -0.01 0.00 0.00 39.48 37.00 1t9a n PHE 377 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1t9a s ASP 378 N -4.03 3.62 0.00 4.37 -4.77 -1.26 -4.74 116.67 109.87 1t9a s ASP 378 Ca 0.24 1.67 0.10 0.00 -3.30 0.00 0.00 52.55 51.26 1t9a s ASP 378 Cb -0.13 -2.33 0.46 0.00 -1.09 0.00 0.00 42.92 39.82 1t9a s ASP 378 CO 0.90 -2.58 1.23 -0.90 0.70 0.00 0.00 175.17 174.53 1t9a n ASP 379 N -3.86 0.00 -0.23 2.11 5.68 -1.26 -1.33 116.55 117.66 1t9a n ASP 379 Ca 0.08 0.28 0.13 0.00 -0.50 0.00 0.00 54.79 54.77 1t9a n ASP 379 Cb 0.54 -0.37 0.32 0.00 -1.14 0.00 0.00 41.12 40.48 1t9a n ASP 379 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1t9a n ARG 380 N -1.37 0.75 -0.06 0.11 5.12 -1.26 -4.20 116.66 115.75 1t9a n ARG 380 Ca 0.04 -0.46 -0.08 0.00 -1.93 0.00 0.00 57.85 55.41 1t9a n ARG 380 Cb 0.09 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.84 1t9a n ARG 380 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1t9a n VAL 381 N -0.72 0.71 0.20 1.55 0.31 -0.44 -0.63 118.33 119.30 1t9a n VAL 381 Ca 0.11 -0.27 0.09 0.00 -0.01 0.00 0.00 64.34 64.26 1t9a n VAL 381 Cb 0.36 -0.93 0.13 0.00 -0.91 0.00 0.00 33.84 32.48 1t9a n VAL 381 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1t9a h THR 382 N 0.00 0.26 -0.49 2.52 1.35 -1.69 -3.36 112.91 111.50 1t9a h THR 382 Ca -0.28 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 1t9a h THR 382 Cb 1.43 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1t9a h THR 382 CO -0.04 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1t9a n GLY 383 N 1.14 -0.30 3.62 5.82 0.00 -1.26 -4.45 105.19 109.77 1t9a n GLY 383 Ca 0.03 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1t9a n GLY 383 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t9a s ASN 384 N -4.00 5.84 0.45 1.61 3.84 -0.14 -4.84 114.94 117.70 1t9a s ASN 384 Ca 0.00 2.13 0.14 0.00 0.21 0.00 0.00 52.86 55.34 1t9a s ASN 384 Cb 0.00 -2.52 1.07 0.00 -0.55 0.00 0.00 41.25 39.25 1t9a s ASN 384 CO 0.00 -1.62 2.01 -0.29 -2.79 0.00 0.00 177.10 174.42 1t9a h ILE 385 N 6.58 0.93 0.00 -5.21 6.09 -1.90 -0.02 117.51 123.97 1t9a h ILE 385 Ca -0.43 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 1t9a h ILE 385 Cb 1.23 0.55 0.00 0.00 0.47 0.00 0.00 36.82 39.07 1t9a h ILE 385 CO 0.96 0.06 0.00 -1.54 -3.07 0.00 0.00 178.15 174.56 1t9a n SER 386 N -4.47 0.64 -0.51 2.19 3.41 -1.26 -2.14 113.62 111.48 1t9a n SER 386 Ca 0.07 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.40 1t9a n SER 386 Cb 0.31 -0.79 0.05 0.00 -0.26 0.00 0.00 64.21 63.52 1t9a n SER 386 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1t9a n LYS 387 N -2.20 1.08 -2.14 4.33 5.02 -0.07 -5.00 118.16 119.18 1t9a n LYS 387 Ca 0.02 -1.22 -0.42 0.00 -2.02 0.00 0.00 58.31 54.68 1t9a n LYS 387 Cb 0.23 -1.25 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1t9a n LYS 387 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1t9a s PHE 388 N -1.23 3.05 -1.04 2.13 5.36 -0.88 -4.13 117.98 121.24 1t9a s PHE 388 Ca 0.15 0.83 -0.18 0.00 -0.96 0.00 0.00 56.93 56.77 1t9a s PHE 388 Cb 0.11 -3.73 0.02 0.00 -0.34 0.00 0.00 43.02 39.08 1t9a s PHE 388 CO 0.20 -2.63 0.68 0.00 -1.46 0.00 0.00 175.22 172.01 1t9a n ALA 389 N 4.45 -2.66 -0.37 11.12 0.00 -1.26 -4.86 120.51 126.94 1t9a n ALA 389 Ca 0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.17 1t9a n ALA 389 Cb 0.42 -2.26 0.10 0.00 0.00 0.00 0.00 19.45 17.71 1t9a n ALA 389 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t9a h PRO 390 N -1.49 1.31 -0.10 0.00 0.13 -1.72 -1.97 132.00 128.16 1t9a h PRO 390 Ca -0.63 -0.10 -0.12 0.00 -0.87 0.00 0.00 66.00 64.28 1t9a h PRO 390 Cb 1.37 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1t9a h PRO 390 CO 0.45 0.89 -0.46 0.93 -0.23 0.00 0.00 178.00 179.58 1t9a h GLU 391 N 1.34 0.24 -0.16 0.86 4.39 -1.75 -0.38 114.58 119.13 1t9a h GLU 391 Ca 0.35 -0.13 -0.18 0.00 0.34 0.00 0.00 59.36 59.75 1t9a h GLU 391 Cb -0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1t9a h GLU 391 CO -0.07 0.66 -0.63 0.00 -1.16 0.00 0.00 179.01 177.81 1t9a h ALA 392 N 1.33 0.61 -0.65 3.43 0.00 -1.07 -0.84 119.26 122.08 1t9a h ALA 392 Ca 0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1t9a h ALA 392 Cb 0.89 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1t9a h ALA 392 CO 0.07 0.71 0.08 -0.09 0.00 0.00 0.00 179.25 180.02 1t9a h ARG 393 N 0.41 1.09 -0.33 0.00 2.43 -1.09 -1.25 114.38 115.64 1t9a h ARG 393 Ca -0.01 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 1t9a h ARG 393 Cb 1.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1t9a h ARG 393 CO 0.12 1.01 -0.14 -0.09 -1.51 0.00 0.00 179.97 179.36 1t9a h ARG 394 N 1.01 0.68 -0.98 0.20 2.43 -0.91 -2.20 114.38 114.62 1t9a h ARG 394 Ca 0.19 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1t9a h ARG 394 Cb 0.47 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1t9a h ARG 394 CO 0.02 0.88 0.65 0.00 -1.51 0.00 0.00 179.97 180.01 1t9a h ALA 395 N 0.78 1.25 -0.30 2.80 0.00 -0.94 -2.15 119.26 120.69 1t9a h ALA 395 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1t9a h ALA 395 Cb 0.67 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1t9a h ALA 395 CO 0.04 0.64 0.09 0.00 0.00 0.00 0.00 179.25 180.03 1t9a h ALA 396 N 1.36 0.40 -0.14 0.00 0.00 -1.10 0.17 119.26 119.94 1t9a h ALA 396 Ca 0.36 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1t9a h ALA 396 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1t9a h ALA 396 CO -0.08 0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.33 1t9a h ALA 397 N 0.93 1.88 -0.66 0.00 0.00 -0.94 0.88 119.26 121.35 1t9a h ALA 397 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1t9a h ALA 397 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1t9a h ALA 397 CO -0.00 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.44 1t9a n GLU 398 N -4.08 3.14 -2.94 0.00 1.02 -0.81 -4.97 120.64 112.01 1t9a n GLU 398 Ca 0.00 -2.71 -0.21 0.00 -0.02 0.00 0.00 57.16 54.22 1t9a n GLU 398 Cb 0.25 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1t9a n GLU 398 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t9a n GLY 399 N 1.32 -0.51 0.31 0.62 0.00 0.30 -4.86 105.19 102.36 1t9a n GLY 399 Ca 0.24 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.40 1t9a n GLY 399 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t9a n ARG 400 N -3.66 0.65 0.00 1.61 1.85 0.45 -5.01 116.66 112.56 1t9a n ARG 400 Ca -0.11 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 54.91 1t9a n ARG 400 Cb 0.61 -1.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.02 1t9a n ARG 400 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1t9a n GLY 401 N -0.72 -0.63 0.00 2.89 0.00 -1.16 -4.64 105.19 100.94 1t9a n GLY 401 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1t9a n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t9a n GLY 402 N 0.00 0.16 2.99 -0.02 0.00 -0.55 -3.61 105.19 104.16 1t9a n GLY 402 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 1t9a n GLY 402 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t9a s ILE 403 N -0.13 0.97 -0.09 -0.61 1.01 -1.26 -1.20 121.20 119.89 1t9a s ILE 403 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1t9a s ILE 403 Cb 0.00 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1t9a s ILE 403 CO 0.00 0.32 -0.07 -0.63 0.00 0.00 0.00 174.94 174.55 1t9a s ILE 404 N 0.70 3.64 -0.18 2.92 1.01 -0.23 -1.19 121.20 127.87 1t9a s ILE 404 Ca -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1t9a s ILE 404 Cb -0.15 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.87 1t9a s ILE 404 CO 0.03 0.58 0.00 -2.28 0.00 0.00 0.00 174.94 173.26 1t9a s HIS 405 N -0.53 1.32 -0.73 3.97 2.46 0.12 -0.54 115.29 121.37 1t9a s HIS 405 Ca 0.08 -0.96 -0.20 0.00 0.47 0.00 0.00 55.06 54.44 1t9a s HIS 405 Cb -0.12 -1.14 0.10 0.00 -0.13 0.00 0.00 32.58 31.29 1t9a s HIS 405 CO 0.02 -0.61 0.94 -0.06 -2.47 0.00 0.00 174.74 172.57 1t9a s PHE 406 N 1.76 2.92 -0.04 3.88 0.40 0.10 -0.64 117.98 126.37 1t9a s PHE 406 Ca -0.01 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.42 1t9a s PHE 406 Cb -0.16 -4.21 -0.01 0.00 0.51 0.00 0.00 43.02 39.15 1t9a s PHE 406 CO -0.07 -1.49 -0.19 -2.00 0.70 0.00 0.00 175.22 172.17 1t9a s GLU 407 N 3.18 1.80 0.18 0.44 2.56 -1.00 -2.27 118.70 123.59 1t9a s GLU 407 Ca 0.23 -0.67 0.18 0.00 0.00 0.00 0.00 54.97 54.71 1t9a s GLU 407 Cb -0.15 -1.61 -0.01 0.00 2.00 0.00 0.00 34.13 34.36 1t9a s GLU 407 CO 0.03 0.31 1.09 -0.24 -0.56 0.00 0.00 175.26 175.89 1t9a h VAL 408 N 5.04 0.40 -3.41 3.70 3.04 -1.84 -1.83 116.25 121.36 1t9a h VAL 408 Ca -0.34 -1.69 -0.65 0.00 -1.01 0.00 0.00 66.70 63.00 1t9a h VAL 408 Cb 1.16 1.97 -0.26 0.00 -2.01 0.00 0.00 31.29 32.15 1t9a h VAL 408 CO 0.48 0.23 -0.71 -0.55 -1.01 0.00 0.00 177.57 176.01 1t9a s SER 409 N -5.86 4.42 0.55 3.17 0.15 -1.26 -4.48 113.70 110.39 1t9a s SER 409 Ca 0.00 -0.34 0.27 0.00 0.70 0.00 0.00 55.95 56.59 1t9a s SER 409 Cb 0.08 -1.75 1.45 0.00 -1.71 0.00 0.00 66.02 64.09 1t9a s SER 409 CO 0.78 0.01 1.98 -0.65 1.20 0.00 0.00 173.24 176.56 1t9a h PRO 410 N 7.85 0.00 0.00 5.44 0.11 -1.96 -0.85 132.00 142.59 1t9a h PRO 410 Ca -0.39 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 1t9a h PRO 410 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1t9a h PRO 410 CO 0.60 0.00 -0.21 0.87 -0.21 0.00 0.00 178.00 179.05 1t9a h LYS 411 N 0.00 0.00 -0.66 1.05 1.57 -2.00 -2.75 116.57 113.78 1t9a h LYS 411 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1t9a h LYS 411 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1t9a h LYS 411 CO -0.00 0.21 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 1t9a n ASN 412 N -4.20 4.38 -4.66 0.86 3.02 -0.33 -4.67 115.26 109.66 1t9a n ASN 412 Ca -0.02 -2.27 -0.38 0.00 -0.03 0.00 0.00 54.58 51.88 1t9a n ASN 412 Cb 0.27 -0.53 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 1t9a n ASN 412 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1t9a s ILE 413 N -1.50 5.18 -1.46 2.41 1.01 -1.04 -4.15 121.20 121.65 1t9a s ILE 413 Ca 0.49 0.74 -0.07 0.00 0.00 0.00 0.00 60.65 61.81 1t9a s ILE 413 Cb 0.29 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 39.05 1t9a s ILE 413 CO 0.27 0.23 0.65 0.59 0.00 0.00 0.00 174.94 176.68 1t9a n ASN 414 N 4.63 -5.32 -0.02 3.58 3.02 -1.26 -4.89 115.26 115.00 1t9a n ASN 414 Ca -0.08 -0.38 -0.22 0.00 -0.03 0.00 0.00 54.58 53.88 1t9a n ASN 414 Cb 0.51 -4.30 -0.13 0.00 -0.61 0.00 0.00 39.78 35.24 1t9a n ASN 414 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1t9a h LYS 415 N -1.43 0.20 0.00 3.52 3.64 -1.83 -3.43 116.57 117.25 1t9a h LYS 415 Ca -0.51 -0.35 -0.42 0.00 -1.27 0.00 0.00 60.65 58.11 1t9a h LYS 415 Cb 1.34 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 33.23 1t9a h LYS 415 CO 0.57 1.17 -2.47 0.28 -2.27 0.00 0.00 179.45 176.72 1t9a n VAL 416 N -3.78 1.52 -4.11 2.00 0.31 -1.26 -5.02 118.33 107.99 1t9a n VAL 416 Ca -0.31 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.41 1t9a n VAL 416 Cb 0.94 -1.63 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 1t9a n VAL 416 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1t9a s VAL 417 N -2.51 0.64 0.09 2.52 -7.23 -1.26 -5.12 120.40 107.52 1t9a s VAL 417 Ca -0.36 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 1t9a s VAL 417 Cb 0.11 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.98 1t9a s VAL 417 CO 0.56 -0.54 1.15 -1.58 -0.31 0.00 0.00 175.10 174.38 1t9a s GLN 418 N -2.37 4.49 0.12 4.82 0.74 -1.26 -4.27 119.66 121.93 1t9a s GLN 418 Ca -0.02 1.73 0.07 0.00 0.05 0.00 0.00 55.36 57.19 1t9a s GLN 418 Cb -0.05 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 1t9a s GLN 418 CO -0.01 -0.14 -0.08 0.95 -0.55 0.00 0.00 175.29 175.45 1t9a s THR 419 N 0.67 3.42 0.07 -0.34 -4.23 -1.26 -4.84 115.64 109.13 1t9a s THR 419 Ca 0.55 -1.31 -0.10 0.00 -1.18 0.00 0.00 61.69 59.66 1t9a s THR 419 Cb -0.29 -2.63 -0.27 0.00 1.34 0.00 0.00 72.50 70.65 1t9a s THR 419 CO 0.31 0.06 1.14 1.56 -0.54 0.00 0.00 174.62 177.16 1t9a h GLN 420 N 3.43 0.46 -3.27 3.99 7.50 -1.52 -3.45 115.11 122.25 1t9a h GLN 420 Ca -0.48 -0.65 -0.30 0.00 0.50 0.00 0.00 58.65 57.71 1t9a h GLN 420 Cb 1.17 0.22 -0.35 0.00 0.05 0.00 0.00 27.48 28.58 1t9a h GLN 420 CO 0.53 1.28 -0.67 0.42 -1.50 0.00 0.00 178.83 178.90 1t9a s ILE 421 N -2.89 -0.13 -0.24 2.54 1.01 -1.07 -5.05 121.20 115.37 1t9a s ILE 421 Ca -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 1t9a s ILE 421 Cb 0.06 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.33 1t9a s ILE 421 CO 0.91 0.12 -0.01 0.00 0.00 0.00 0.00 174.94 175.96 1t9a s ALA 422 N 1.71 2.88 -0.51 9.38 0.00 -1.26 -0.70 121.76 133.26 1t9a s ALA 422 Ca -0.02 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 1t9a s ALA 422 Cb -0.12 -1.83 0.11 0.00 0.00 0.00 0.00 23.12 21.28 1t9a s ALA 422 CO -0.05 -0.60 0.45 0.08 0.00 0.00 0.00 175.76 175.64 1t9a s VAL 423 N 1.47 5.04 0.43 0.00 1.01 0.19 -4.94 120.40 123.60 1t9a s VAL 423 Ca 0.04 -1.44 -0.24 0.00 0.00 0.00 0.00 61.98 60.35 1t9a s VAL 423 Cb -0.15 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 1t9a s VAL 423 CO -0.02 -0.78 1.15 -1.61 0.00 0.00 0.00 175.10 173.84 1t9a s GLU 424 N 1.57 3.92 0.00 2.72 2.02 -1.26 -2.37 118.70 125.30 1t9a s GLU 424 Ca 0.04 1.75 0.00 0.00 0.02 0.00 0.00 54.97 56.78 1t9a s GLU 424 Cb -0.28 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1t9a s GLU 424 CO 0.03 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1t9a n GLY 425 N 0.48 -0.70 3.69 -1.39 0.00 -0.69 -4.92 105.19 101.66 1t9a n GLY 425 Ca 0.06 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1t9a n GLY 425 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t9a s ASP 426 N -4.00 6.73 0.10 1.61 2.15 -1.26 -2.98 116.67 119.01 1t9a s ASP 426 Ca 0.00 2.30 -0.23 0.00 0.43 0.00 0.00 52.55 55.05 1t9a s ASP 426 Cb 0.00 -2.56 -0.12 0.00 -0.30 0.00 0.00 42.92 39.94 1t9a s ASP 426 CO 0.00 -0.80 1.72 0.00 -0.17 0.00 0.00 175.17 175.92 1t9a h ALA 427 N 8.04 -0.02 -0.30 3.66 0.00 -1.87 -1.99 119.26 126.78 1t9a h ALA 427 Ca -0.40 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1t9a h ALA 427 Cb 1.19 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1t9a h ALA 427 CO 0.91 -0.53 0.02 1.15 0.00 0.00 0.00 179.25 180.81 1t9a h THR 428 N -0.05 0.81 -0.97 0.00 2.02 -1.91 0.53 112.91 113.33 1t9a h THR 428 Ca 0.02 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1t9a h THR 428 Cb 0.08 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 1t9a h THR 428 CO -0.05 0.02 0.63 0.74 0.37 0.00 0.00 175.52 177.23 1t9a h THR 429 N 0.12 1.13 0.00 3.16 2.02 -1.93 -1.42 112.91 115.99 1t9a h THR 429 Ca 0.14 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 1t9a h THR 429 Cb 0.18 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1t9a h THR 429 CO -0.22 0.22 -0.42 0.78 0.37 0.00 0.00 175.52 176.24 1t9a h ASN 430 N 1.19 0.00 0.21 4.18 2.35 -0.63 -2.63 115.58 120.25 1t9a h ASN 430 Ca 0.40 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.98 1t9a h ASN 430 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1t9a h ASN 430 CO -0.15 0.42 -0.67 -0.07 -1.65 0.00 0.00 177.43 175.32 1t9a h LEU 431 N 0.00 0.49 -0.57 1.61 3.38 -0.20 -2.18 115.31 117.84 1t9a h LEU 431 Ca -0.00 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1t9a h LEU 431 Cb 1.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1t9a h LEU 431 CO 0.05 1.02 0.02 1.23 0.09 0.00 0.00 178.44 180.85 1t9a h GLY 432 N 1.25 1.08 1.80 0.83 0.00 -1.14 -1.40 103.07 105.49 1t9a h GLY 432 Ca -0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 1t9a h GLY 432 CO 0.12 0.72 -0.49 0.50 0.00 0.00 0.00 176.54 177.39 1t9a h LYS 433 N 0.89 0.22 0.00 4.80 1.57 -1.39 -3.22 116.57 119.44 1t9a h LYS 433 Ca 0.16 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1t9a h LYS 433 Cb 0.53 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1t9a h LYS 433 CO 0.03 0.66 -0.76 1.98 -0.57 0.00 0.00 179.45 180.79 1t9a h MET 434 N 0.18 0.00 -0.87 3.15 4.05 -1.24 -3.39 114.93 116.81 1t9a h MET 434 Ca 0.01 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.59 1t9a h MET 434 Cb 0.93 0.00 -0.16 0.00 -0.80 0.00 0.00 31.60 31.57 1t9a h MET 434 CO 0.07 0.45 -0.27 1.98 0.23 0.00 0.00 176.91 179.38 1t9a h MET 435 N 0.00 -0.02 0.00 0.39 -1.53 -1.26 0.40 114.93 112.91 1t9a h MET 435 Ca -0.04 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.21 1t9a h MET 435 Cb 1.44 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 32.49 1t9a h MET 435 CO 0.06 -0.01 -0.03 0.66 0.14 0.00 0.00 176.91 177.73 1t9a h SER 436 N -0.02 0.00 0.25 1.39 4.64 -1.80 -1.90 113.55 116.11 1t9a h SER 436 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1t9a h SER 436 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1t9a h SER 436 CO -0.90 0.03 -0.18 0.29 -0.87 0.00 0.00 176.83 175.21 1t9a n LYS 437 N -3.48 0.87 -3.16 4.77 5.02 0.12 -4.83 118.16 117.47 1t9a n LYS 437 Ca -0.02 -0.44 -0.39 0.00 -2.02 0.00 0.00 58.31 55.43 1t9a n LYS 437 Cb 0.13 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1t9a n LYS 437 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1t9a s ILE 438 N -2.44 5.07 -0.02 -0.18 -1.09 -0.72 -4.83 121.20 117.00 1t9a s ILE 438 Ca 0.27 1.16 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 1t9a s ILE 438 Cb 0.20 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1t9a s ILE 438 CO 0.48 0.18 1.23 -0.36 -1.23 0.00 0.00 174.94 175.25 1t9a s PHE 439 N 1.45 3.19 0.31 3.97 2.99 -1.26 -4.97 117.98 123.66 1t9a s PHE 439 Ca 0.29 1.17 -0.30 0.00 0.00 0.00 0.00 56.93 58.10 1t9a s PHE 439 Cb -0.16 -3.46 -0.11 0.00 0.00 0.00 0.00 43.02 39.29 1t9a s PHE 439 CO 0.11 -1.48 1.58 -2.14 -0.00 0.00 0.00 175.22 173.29 1t9a s PRO 440 N 1.97 4.11 -0.17 0.24 0.02 -1.26 -4.69 135.00 135.22 1t9a s PRO 440 Ca 0.58 2.59 -0.05 0.00 0.02 0.00 0.00 61.00 64.14 1t9a s PRO 440 Cb -0.27 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 1t9a s PRO 440 CO 0.24 -0.62 -0.00 0.08 -0.33 0.00 0.00 177.00 176.36 1t9a s VAL 441 N -0.23 4.14 0.03 3.83 1.01 -0.33 -5.01 120.40 123.84 1t9a s VAL 441 Ca 0.61 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1t9a s VAL 441 Cb -0.48 -2.84 -0.18 0.00 0.00 0.00 0.00 36.38 32.89 1t9a s VAL 441 CO 0.51 0.47 1.46 0.50 0.00 0.00 0.00 175.10 178.05 1t9a h LYS 442 N 6.82 -0.08 -1.88 2.72 3.64 -1.93 -3.43 116.57 122.42 1t9a h LYS 442 Ca -0.33 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.27 1t9a h LYS 442 Cb 1.18 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 1t9a h LYS 442 CO 0.65 0.18 0.66 -1.83 -2.27 0.00 0.00 179.45 176.83 1t9a s GLU 443 N -5.14 0.66 -0.45 1.90 4.04 -1.26 -5.05 118.70 113.41 1t9a s GLU 443 Ca -0.15 -0.31 0.07 0.00 0.04 0.00 0.00 54.97 54.62 1t9a s GLU 443 Cb 0.03 0.26 0.24 0.00 0.02 0.00 0.00 34.13 34.68 1t9a s GLU 443 CO 0.65 -0.30 0.53 0.54 -1.84 0.00 0.00 175.26 174.84 1t9a n ARG 444 N -0.31 0.99 0.04 -4.83 1.74 -1.26 -5.01 116.66 108.02 1t9a n ARG 444 Ca -0.06 -3.51 -0.11 0.00 -0.77 0.00 0.00 57.85 53.40 1t9a n ARG 444 Cb 0.61 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 1t9a n ARG 444 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1t9a h SER 445 N 4.31 -0.10 0.20 0.55 0.02 -1.98 -0.70 113.55 115.86 1t9a h SER 445 Ca 0.12 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1t9a h SER 445 Cb 0.84 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 1t9a h SER 445 CO 0.52 -0.05 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.71 1t9a h GLU 446 N -0.05 -0.30 -0.09 3.45 5.08 -1.98 0.25 114.58 120.93 1t9a h GLU 446 Ca 0.02 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1t9a h GLU 446 Cb 0.08 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1t9a h GLU 446 CO -0.04 -0.20 -0.11 2.35 -1.00 0.00 0.00 179.01 180.00 1t9a h TRP 447 N -0.32 -0.28 -0.37 4.33 -0.00 -1.87 0.89 115.95 118.34 1t9a h TRP 447 Ca -0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.81 1t9a h TRP 447 Cb 0.26 0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.54 1t9a h TRP 447 CO -0.09 -0.17 -0.08 0.74 -0.00 0.00 0.00 178.44 178.84 1t9a h PHE 448 N -0.15 0.68 -0.02 2.65 -1.00 -1.03 -0.99 116.94 117.07 1t9a h PHE 448 Ca 0.07 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1t9a h PHE 448 Cb 0.25 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 1t9a h PHE 448 CO -0.21 0.70 0.01 0.00 -1.61 0.00 0.00 178.31 177.19 1t9a h ALA 449 N 1.33 0.03 -0.31 2.45 0.00 0.01 0.12 119.26 122.89 1t9a h ALA 449 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1t9a h ALA 449 Cb 0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1t9a h ALA 449 CO 0.03 -0.36 0.07 0.37 0.00 0.00 0.00 179.25 179.36 1t9a h GLN 450 N -0.17 0.18 -0.98 0.00 5.75 -0.60 -0.91 115.11 118.38 1t9a h GLN 450 Ca 0.01 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1t9a h GLN 450 Cb 0.22 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1t9a h GLN 450 CO -0.00 0.12 0.64 0.82 -2.65 0.00 0.00 178.83 177.76 1t9a h ILE 451 N 0.18 1.22 -0.06 2.39 2.04 -1.01 -2.02 117.51 120.24 1t9a h ILE 451 Ca 0.15 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1t9a h ILE 451 Cb 0.15 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1t9a h ILE 451 CO -0.19 0.23 -0.35 0.78 0.00 0.00 0.00 178.15 178.63 1t9a h ASN 452 N 1.28 0.12 -0.43 1.72 2.35 0.14 -1.32 115.58 119.45 1t9a h ASN 452 Ca 0.37 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1t9a h ASN 452 Cb -0.09 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1t9a h ASN 452 CO -0.10 0.47 0.10 0.11 -1.65 0.00 0.00 177.43 176.37 1t9a h LYS 453 N 0.11 0.69 -0.80 0.81 6.56 -0.48 -2.40 116.57 121.05 1t9a h LYS 453 Ca 0.01 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.43 1t9a h LYS 453 Cb 0.67 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 32.20 1t9a h LYS 453 CO 0.05 0.70 0.48 -1.49 -2.06 0.00 0.00 179.45 177.12 1t9a h TRP 454 N 0.56 1.07 -0.49 -1.35 6.55 -1.04 -1.36 115.95 119.89 1t9a h TRP 454 Ca 0.14 -0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.99 1t9a h TRP 454 Cb 0.32 -0.35 -0.03 0.00 -0.86 0.00 0.00 29.16 28.24 1t9a h TRP 454 CO 0.02 0.72 0.33 0.87 -1.05 0.00 0.00 178.44 179.33 1t9a h LYS 455 N 1.10 0.60 0.08 0.49 1.57 -0.92 0.40 116.57 119.88 1t9a h LYS 455 Ca 0.29 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.76 1t9a h LYS 455 Cb -0.03 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.16 1t9a h LYS 455 CO -0.05 0.39 -1.14 0.87 -0.57 0.00 0.00 179.45 178.96 1t9a h LYS 456 N 0.61 0.46 0.02 3.15 1.79 -0.96 -3.34 116.57 118.31 1t9a h LYS 456 Ca 0.19 -0.61 -0.21 0.00 -2.18 0.00 0.00 60.65 57.84 1t9a h LYS 456 Cb 0.01 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1t9a h LYS 456 CO -0.05 1.24 -0.95 1.05 -1.08 0.00 0.00 179.45 179.67 1t9a h GLU 457 N 0.21 0.18 -2.23 3.15 9.09 -0.56 -3.40 114.58 121.03 1t9a h GLU 457 Ca -0.14 -0.23 -0.58 0.00 0.05 0.00 0.00 59.36 58.46 1t9a h GLU 457 Cb 1.81 0.07 -0.42 0.00 -1.65 0.00 0.00 28.75 28.56 1t9a h GLU 457 CO 0.20 1.00 -0.69 0.66 0.05 0.00 0.00 179.01 180.23 1t9a n TYR 458 N -3.60 3.49 -1.74 2.06 4.02 0.13 -5.08 117.16 116.44 1t9a n TYR 458 Ca -0.04 -4.01 -0.29 0.00 -0.01 0.00 0.00 57.90 53.54 1t9a n TYR 458 Cb 0.86 -0.50 0.09 0.00 -0.02 0.00 0.00 39.34 39.77 1t9a n TYR 458 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1t9a s PRO 459 N -3.04 1.91 -0.92 -0.72 0.04 -1.26 -4.48 135.00 126.53 1t9a s PRO 459 Ca 0.45 0.31 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 1t9a s PRO 459 Cb 0.25 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 1t9a s PRO 459 CO -0.10 -1.67 2.05 0.66 0.04 0.00 0.00 177.00 177.98 1t9a n TYR 460 N -3.41 1.97 -2.34 0.56 0.53 -1.26 -4.92 117.16 108.28 1t9a n TYR 460 Ca 0.07 -2.04 -0.35 0.00 -1.02 0.00 0.00 57.90 54.56 1t9a n TYR 460 Cb 0.59 -1.83 -0.01 0.00 -1.03 0.00 0.00 39.34 37.06 1t9a n TYR 460 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1t9a s ALA 461 N 4.27 2.76 0.24 -0.72 0.00 -1.26 -5.05 121.76 122.00 1t9a s ALA 461 Ca 0.52 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 1t9a s ALA 461 Cb 0.13 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1t9a s ALA 461 CO 0.05 -0.63 0.76 1.52 0.00 0.00 0.00 175.76 177.46 1t9a s TYR 462 N -1.81 -0.20 -0.58 0.00 -0.85 -1.26 -4.75 117.35 107.89 1t9a s TYR 462 Ca 0.71 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 56.77 1t9a s TYR 462 Cb -0.22 0.68 0.02 0.00 0.38 0.00 0.00 41.96 42.82 1t9a s TYR 462 CO 0.25 -1.12 1.39 1.41 -1.52 0.00 0.00 175.55 175.96 1t9a s MET 463 N -3.77 3.30 0.87 -3.49 -2.45 -1.26 -5.00 119.30 107.50 1t9a s MET 463 Ca 0.11 0.38 -0.12 0.00 -1.25 0.00 0.00 55.69 54.80 1t9a s MET 463 Cb -0.05 -4.12 0.11 0.00 1.25 0.00 0.00 34.83 32.02 1t9a s MET 463 CO 0.05 -1.94 1.13 -1.21 1.05 0.00 0.00 175.02 174.10 1t9a s GLU 464 N 5.50 1.50 0.58 4.11 2.02 -1.26 -4.92 118.70 126.23 1t9a s GLU 464 Ca 0.50 0.35 -0.19 0.00 0.02 0.00 0.00 54.97 55.64 1t9a s GLU 464 Cb -0.10 -1.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.20 1t9a s GLU 464 CO 0.24 -1.96 1.05 0.39 0.02 0.00 0.00 175.26 175.00 1t9a n GLU 465 N -3.61 1.07 -4.07 1.61 4.71 -1.26 -5.03 120.64 114.06 1t9a n GLU 465 Ca 0.07 0.41 -0.09 0.00 -0.01 0.00 0.00 57.16 57.53 1t9a n GLU 465 Cb 0.59 -2.24 -0.11 0.00 -1.01 0.00 0.00 31.44 28.67 1t9a n GLU 465 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1t9a s THR 466 N -1.45 0.35 -0.16 2.62 -4.23 -1.26 -5.06 115.64 106.44 1t9a s THR 466 Ca 0.74 -1.46 -0.41 0.00 -1.18 0.00 0.00 61.69 59.38 1t9a s THR 466 Cb -0.43 -1.05 -0.19 0.00 1.34 0.00 0.00 72.50 72.17 1t9a s THR 466 CO 0.48 -0.73 1.36 -2.65 -0.54 0.00 0.00 174.62 172.54 1t9a n PRO 467 N 0.72 0.35 -0.04 3.99 -0.02 -1.26 -0.67 135.00 138.07 1t9a n PRO 467 Ca -0.18 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1t9a n PRO 467 Cb 0.58 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1t9a n PRO 467 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t9a n GLY 468 N 2.75 2.24 3.78 -1.23 0.00 -1.26 -5.00 105.19 106.46 1t9a n GLY 468 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1t9a n GLY 468 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t9a s SER 469 N -3.51 3.71 0.67 1.61 1.04 0.15 -5.04 113.70 112.34 1t9a s SER 469 Ca 0.00 1.11 -0.11 0.00 0.48 0.00 0.00 55.95 57.43 1t9a s SER 469 Cb 0.00 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.37 1t9a s SER 469 CO 0.00 -2.44 1.07 -0.54 0.98 0.00 0.00 173.24 172.31 1t9a s LYS 470 N -5.20 3.13 0.37 4.02 1.02 -1.26 -4.77 119.74 117.05 1t9a s LYS 470 Ca 0.63 0.58 -0.28 0.00 0.02 0.00 0.00 55.97 56.92 1t9a s LYS 470 Cb -0.15 -2.04 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1t9a s LYS 470 CO 0.54 -0.87 1.35 0.42 -0.92 0.00 0.00 175.35 175.88 1t9a s ILE 471 N -3.28 2.50 -0.06 2.17 1.01 -1.26 -4.65 121.20 117.63 1t9a s ILE 471 Ca 0.57 0.49 -0.19 0.00 0.00 0.00 0.00 60.65 61.52 1t9a s ILE 471 Cb -0.11 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1t9a s ILE 471 CO 0.53 0.10 0.54 -0.54 0.00 0.00 0.00 174.94 175.57 1t9a s LYS 472 N -2.00 4.31 0.25 2.79 -0.14 -1.26 -0.95 119.74 122.73 1t9a s LYS 472 Ca 0.52 0.59 -0.05 0.00 -1.36 0.00 0.00 55.97 55.68 1t9a s LYS 472 Cb -0.41 -3.39 0.35 0.00 -1.68 0.00 0.00 37.83 32.70 1t9a s LYS 472 CO 0.55 0.26 1.86 -1.00 -0.76 0.00 0.00 175.35 176.25 1t9a h PRO 473 N 6.20 0.98 -0.77 -1.68 0.13 -1.94 -1.85 132.00 133.06 1t9a h PRO 473 Ca -0.43 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1t9a h PRO 473 Cb 1.19 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 1t9a h PRO 473 CO 0.72 0.65 0.48 1.96 -0.23 0.00 0.00 178.00 181.58 1t9a h GLN 474 N 1.01 1.03 -0.52 0.86 7.50 -1.95 -1.94 115.11 121.10 1t9a h GLN 474 Ca 0.39 -0.08 -0.06 0.00 0.50 0.00 0.00 58.65 59.40 1t9a h GLN 474 Cb 0.18 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.46 1t9a h GLN 474 CO -0.17 0.71 0.09 1.15 -1.50 0.00 0.00 178.83 179.10 1t9a h THR 475 N 1.05 1.23 -0.46 -0.54 2.02 -1.75 -2.27 112.91 112.19 1t9a h THR 475 Ca 0.28 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1t9a h THR 475 Cb -0.07 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1t9a h THR 475 CO -0.05 0.32 0.25 0.58 0.37 0.00 0.00 175.52 176.99 1t9a h VAL 476 N 0.78 1.16 -0.27 3.16 2.07 -1.01 -1.69 116.25 120.46 1t9a h VAL 476 Ca 0.17 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1t9a h VAL 476 Cb 0.35 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1t9a h VAL 476 CO 0.01 0.17 0.15 0.40 0.02 0.00 0.00 177.57 178.32 1t9a h ILE 477 N 0.60 1.12 -0.29 4.57 1.08 -1.21 0.55 117.51 123.94 1t9a h ILE 477 Ca 0.16 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1t9a h ILE 477 Cb 0.06 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 1t9a h ILE 477 CO -0.03 0.12 0.02 0.11 -0.69 0.00 0.00 178.15 177.69 1t9a h LYS 478 N 0.32 0.11 -0.31 2.37 1.57 -1.24 0.48 116.57 119.87 1t9a h LYS 478 Ca 0.09 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1t9a h LYS 478 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1t9a h LYS 478 CO -0.01 0.07 -0.04 0.87 -0.57 0.00 0.00 179.45 179.77 1t9a h LYS 479 N 0.12 0.58 -0.61 3.15 1.57 -1.11 -2.79 116.57 117.47 1t9a h LYS 479 Ca 0.13 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1t9a h LYS 479 Cb 0.16 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1t9a h LYS 479 CO -0.21 0.75 0.14 1.25 -0.57 0.00 0.00 179.45 180.81 1t9a h LEU 480 N 0.37 0.91 -0.31 2.94 5.85 -0.72 -0.74 115.31 123.61 1t9a h LEU 480 Ca 0.08 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1t9a h LEU 480 Cb 0.52 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1t9a h LEU 480 CO 0.02 0.89 0.06 -1.28 -0.34 0.00 0.00 178.44 177.80 1t9a h SER 481 N 0.92 0.01 -0.00 1.25 0.87 -0.82 0.24 113.55 116.02 1t9a h SER 481 Ca 0.20 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1t9a h SER 481 Cb 0.35 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1t9a h SER 481 CO 0.00 0.04 0.00 0.50 -0.53 0.00 0.00 176.83 176.84 1t9a h LYS 482 N 0.17 0.00 -0.28 2.24 3.64 -1.21 -0.45 116.57 120.68 1t9a h LYS 482 Ca 0.15 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1t9a h LYS 482 Cb 0.16 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1t9a h LYS 482 CO -0.19 0.29 0.04 0.28 -2.27 0.00 0.00 179.45 177.60 1t9a h VAL 483 N -0.28 0.85 -0.46 2.00 2.07 -0.89 0.59 116.25 120.12 1t9a h VAL 483 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1t9a h VAL 483 Cb 0.29 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1t9a h VAL 483 CO 0.00 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.83 1t9a h ALA 484 N 1.22 0.60 -0.79 1.67 0.00 -0.52 -2.88 119.26 118.55 1t9a h ALA 484 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1t9a h ALA 484 Cb 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1t9a h ALA 484 CO -0.18 0.18 0.39 -0.97 0.00 0.00 0.00 179.25 178.67 1t9a h ASN 485 N 0.61 1.03 0.39 0.00 -1.24 -0.72 -2.82 115.58 112.83 1t9a h ASN 485 Ca 0.16 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1t9a h ASN 485 Cb 0.14 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1t9a h ASN 485 CO -0.02 0.87 0.00 0.44 -1.29 0.00 0.00 177.43 177.43 1t9a h ASP 486 N 1.12 0.00 0.71 1.15 3.32 -0.67 -2.49 116.42 119.56 1t9a h ASP 486 Ca 0.27 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1t9a h ASP 486 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1t9a h ASP 486 CO -0.04 0.00 -0.16 0.71 -1.72 0.00 0.00 179.24 178.04 1t9a h THR 487 N 0.00 0.47 0.00 0.35 1.35 -1.42 -3.46 112.91 110.20 1t9a h THR 487 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1t9a h THR 487 Cb 0.19 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1t9a h THR 487 CO 0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1t9a n GLY 488 N -0.19 1.40 3.91 5.82 0.00 -0.94 -5.03 105.19 110.18 1t9a n GLY 488 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1t9a n GLY 488 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t9a s ARG 489 N -0.16 2.38 -0.16 1.61 0.52 -1.26 -5.02 118.95 116.86 1t9a s ARG 489 Ca 0.00 -0.02 -0.28 0.00 -0.52 0.00 0.00 55.73 54.91 1t9a s ARG 489 Cb 0.00 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 1t9a s ARG 489 CO 0.00 -1.19 0.94 -1.58 0.02 0.00 0.00 175.30 173.49 1t9a s HIS 490 N -3.29 3.44 -0.16 -0.53 5.65 -1.26 -4.92 115.29 114.22 1t9a s HIS 490 Ca 0.59 1.43 -0.03 0.00 0.25 0.00 0.00 55.06 57.30 1t9a s HIS 490 Cb -0.11 -3.13 -0.03 0.00 -1.18 0.00 0.00 32.58 28.13 1t9a s HIS 490 CO 0.47 -0.29 -0.04 0.08 -0.65 0.00 0.00 174.74 174.31 1t9a s VAL 491 N 2.32 3.81 -0.08 0.89 1.01 -1.26 -0.32 120.40 126.77 1t9a s VAL 491 Ca 0.43 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1t9a s VAL 491 Cb -0.17 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1t9a s VAL 491 CO 0.13 0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 174.86 1t9a s ILE 492 N 0.41 2.22 -0.13 2.22 1.01 -0.11 -4.73 121.20 122.09 1t9a s ILE 492 Ca -0.04 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1t9a s ILE 492 Cb -0.14 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1t9a s ILE 492 CO 0.03 0.56 -0.20 -0.69 0.00 0.00 0.00 174.94 174.64 1t9a s VAL 493 N 0.01 2.29 0.26 2.92 1.01 0.12 -0.62 120.40 126.39 1t9a s VAL 493 Ca -0.08 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.10 1t9a s VAL 493 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1t9a s VAL 493 CO 0.05 0.54 -0.16 0.42 0.00 0.00 0.00 175.10 175.96 1t9a s THR 494 N 0.61 2.71 0.26 3.92 -4.23 0.15 -0.08 115.64 118.97 1t9a s THR 494 Ca -0.11 -2.22 -0.05 0.00 -1.18 0.00 0.00 61.69 58.13 1t9a s THR 494 Cb -0.16 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 1t9a s THR 494 CO 0.03 -0.35 0.34 0.42 -0.54 0.00 0.00 174.62 174.52 1t9a s THR 495 N -2.34 0.00 0.00 3.99 -4.23 -1.17 -0.55 115.64 111.34 1t9a s THR 495 Ca 0.29 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1t9a s THR 495 Cb -0.06 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1t9a s THR 495 CO 0.15 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 1t9a n GLY 496 N -0.40 1.58 3.20 3.99 0.00 -1.18 -2.17 105.19 110.22 1t9a n GLY 496 Ca 0.01 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 1t9a n GLY 496 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t9a s VAL 497 N 2.07 1.96 -5.00 1.61 1.01 -1.26 -4.66 120.40 116.13 1t9a s VAL 497 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1t9a s VAL 497 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1t9a s VAL 497 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1t9a n GLY 498 N 3.51 0.88 0.28 4.51 0.00 -1.26 -4.80 105.19 108.31 1t9a n GLY 498 Ca -0.19 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 1t9a n GLY 498 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t9a h GLN 499 N 0.00 0.85 -0.39 1.61 4.20 -1.95 -1.69 115.11 117.74 1t9a h GLN 499 Ca 0.00 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1t9a h GLN 499 Cb 0.00 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1t9a h GLN 499 CO 0.00 0.56 0.26 1.12 -0.67 0.00 0.00 178.83 180.10 1t9a h HIS 500 N 0.88 0.39 -0.20 2.96 2.07 -1.93 0.14 115.15 119.46 1t9a h HIS 500 Ca 0.28 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.78 1t9a h HIS 500 Cb 0.00 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 29.84 1t9a h HIS 500 CO -0.04 0.23 0.01 0.37 -3.07 0.00 0.00 177.93 175.44 1t9a h GLN 501 N 0.41 0.35 -0.41 5.12 4.15 -1.59 -0.83 115.11 122.31 1t9a h GLN 501 Ca 0.16 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1t9a h GLN 501 Cb 0.12 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1t9a h GLN 501 CO -0.04 0.53 -0.00 0.52 -1.93 0.00 0.00 178.83 177.91 1t9a h MET 502 N 0.12 0.72 -0.29 1.69 2.86 -0.92 -1.52 114.93 117.59 1t9a h MET 502 Ca 0.06 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1t9a h MET 502 Cb 0.36 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1t9a h MET 502 CO 0.01 0.80 -0.04 -1.49 1.06 0.00 0.00 176.91 177.25 1t9a h TRP 503 N 0.55 0.47 -0.41 -0.22 6.55 -0.96 0.17 115.95 122.10 1t9a h TRP 503 Ca 0.12 -0.05 -0.10 0.00 0.95 0.00 0.00 58.89 59.80 1t9a h TRP 503 Cb 0.48 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.63 1t9a h TRP 503 CO 0.04 0.50 -0.17 0.00 -1.05 0.00 0.00 178.44 177.76 1t9a h ALA 504 N 1.53 0.93 -0.30 1.49 0.00 -0.90 0.95 119.26 122.96 1t9a h ALA 504 Ca 0.09 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1t9a h ALA 504 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1t9a h ALA 504 CO 0.01 0.62 -0.24 0.00 0.00 0.00 0.00 179.25 179.64 1t9a h ALA 505 N 1.12 0.43 -0.00 0.00 0.00 -0.28 -2.76 119.26 117.77 1t9a h ALA 505 Ca 0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1t9a h ALA 505 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1t9a h ALA 505 CO 0.05 0.41 -0.18 1.96 0.00 0.00 0.00 179.25 181.49 1t9a h GLN 506 N 0.44 0.13 -0.00 0.00 4.20 -0.55 -3.38 115.11 115.95 1t9a h GLN 506 Ca 0.05 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1t9a h GLN 506 Cb 0.80 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1t9a h GLN 506 CO 0.06 0.88 -0.39 0.72 -0.67 0.00 0.00 178.83 179.43 1t9a n HIS 507 N -4.56 0.00 -2.87 2.96 8.25 0.31 -4.88 115.22 114.43 1t9a n HIS 507 Ca -0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.04 1t9a n HIS 507 Cb 0.47 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 1t9a n HIS 507 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1t9a s TRP 508 N -2.96 3.40 -0.51 4.41 -0.11 -1.04 -4.36 118.94 117.77 1t9a s TRP 508 Ca 0.13 1.30 -0.16 0.00 1.22 0.00 0.00 56.10 58.59 1t9a s TRP 508 Cb 0.18 -2.62 0.10 0.00 -1.50 0.00 0.00 33.47 29.63 1t9a s TRP 508 CO 0.66 -0.08 0.47 0.99 -4.62 0.00 0.00 176.95 174.36 1t9a s THR 509 N -2.23 5.20 -0.05 5.86 2.01 -1.26 -4.97 115.64 120.20 1t9a s THR 509 Ca 0.56 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1t9a s THR 509 Cb -0.10 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1t9a s THR 509 CO 0.22 -0.76 0.94 0.26 -0.69 0.00 0.00 174.62 174.60 1t9a s TRP 510 N 1.68 3.60 0.00 4.92 0.52 -1.26 -4.89 118.94 123.50 1t9a s TRP 510 Ca 0.04 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.74 1t9a s TRP 510 Cb -0.27 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 28.96 1t9a s TRP 510 CO 0.05 -0.07 0.00 0.54 0.02 0.00 0.00 176.95 177.49 1t9a n ARG 511 N 4.25 1.98 -4.56 4.98 1.74 -1.26 -1.65 116.66 122.13 1t9a n ARG 511 Ca 0.06 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 1t9a n ARG 511 Cb 0.50 -0.58 -0.11 0.00 -1.02 0.00 0.00 32.46 31.25 1t9a n ARG 511 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1t9a s ASN 512 N -1.01 4.26 0.42 0.55 0.01 -1.25 -4.50 114.94 113.42 1t9a s ASN 512 Ca 0.00 -0.26 -0.25 0.00 -0.71 0.00 0.00 52.86 51.64 1t9a s ASN 512 Cb 0.00 -0.88 -0.08 0.00 0.41 0.00 0.00 41.25 40.70 1t9a s ASN 512 CO 0.00 0.27 1.22 -2.84 -1.51 0.00 0.00 177.10 174.25 1t9a s PRO 513 N -1.39 3.93 -1.09 -0.60 0.02 -0.80 -3.57 135.00 131.50 1t9a s PRO 513 Ca 0.16 1.95 -0.06 0.00 0.02 0.00 0.00 61.00 63.06 1t9a s PRO 513 Cb -0.11 -2.63 0.01 0.00 0.02 0.00 0.00 34.50 31.78 1t9a s PRO 513 CO 0.06 -0.46 0.95 0.72 -0.33 0.00 0.00 177.00 177.94 1t9a n HIS 514 N -0.06 -2.29 -0.01 6.54 8.25 -1.26 -4.92 115.22 121.47 1t9a n HIS 514 Ca 0.05 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 1t9a n HIS 514 Cb 0.46 -4.31 0.00 0.00 1.12 0.00 0.00 29.99 27.25 1t9a n HIS 514 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1t9a n THR 515 N -4.43 0.00 -3.92 1.59 -2.24 -1.23 -4.82 114.28 99.22 1t9a n THR 515 Ca -0.02 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 1t9a n THR 515 Cb 0.56 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.64 1t9a n THR 515 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1t9a s PHE 516 N -0.21 2.21 -0.30 4.78 5.36 -1.26 0.14 117.98 128.70 1t9a s PHE 516 Ca 0.00 -1.59 -0.01 0.00 -0.96 0.00 0.00 56.93 54.37 1t9a s PHE 516 Cb 0.00 -1.51 0.06 0.00 -0.34 0.00 0.00 43.02 41.23 1t9a s PHE 516 CO 0.00 -0.74 -0.00 0.42 -1.46 0.00 0.00 175.22 173.44 1t9a s ILE 517 N 1.46 2.83 0.03 3.12 1.01 0.88 -4.99 121.20 125.55 1t9a s ILE 517 Ca -0.04 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 58.97 1t9a s ILE 517 Cb -0.18 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1t9a s ILE 517 CO -0.07 -0.16 0.24 0.28 0.00 0.00 0.00 174.94 175.23 1t9a s THR 518 N 1.20 0.09 -0.37 2.92 -1.32 -1.26 -3.05 115.64 113.85 1t9a s THR 518 Ca -0.04 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.46 1t9a s THR 518 Cb -0.20 -0.82 0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1t9a s THR 518 CO -0.02 -0.41 0.76 -0.55 -2.21 0.00 0.00 174.62 172.19 1t9a s SER 519 N -1.89 6.52 -0.10 8.08 0.15 -1.26 -4.92 113.70 120.29 1t9a s SER 519 Ca -0.07 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.85 1t9a s SER 519 Cb -0.02 -2.39 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 1t9a s SER 519 CO -0.02 -0.73 -0.11 0.61 1.20 0.00 0.00 173.24 174.19 1t9a n GLY 520 N 4.58 -0.15 0.13 9.45 0.00 -1.26 -4.12 105.19 113.82 1t9a n GLY 520 Ca 0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1t9a n GLY 520 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1t9a h GLY 521 N 0.29 -0.24 0.93 -0.02 0.00 -1.91 -3.33 103.07 98.79 1t9a h GLY 521 Ca -0.25 0.09 -0.30 0.00 0.00 0.00 0.00 47.33 46.87 1t9a h GLY 521 CO -0.09 -0.09 -1.75 -0.10 0.00 0.00 0.00 176.54 174.51 1t9a n LEU 522 N -5.02 0.93 -2.85 3.11 7.94 -1.26 -5.02 117.00 114.83 1t9a n LEU 522 Ca -0.09 0.39 -0.03 0.00 -1.11 0.00 0.00 56.01 55.17 1t9a n LEU 522 Cb 0.24 0.12 0.02 0.00 0.53 0.00 0.00 43.42 44.32 1t9a n LEU 522 CO 0.31 0.42 0.22 0.61 -1.11 0.00 0.00 177.39 177.84 1t9a n GLY 523 N 1.58 -1.02 3.53 -3.96 0.00 -1.25 -4.96 105.19 99.11 1t9a n GLY 523 Ca -0.18 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1t9a n GLY 523 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t9a s THR 524 N -3.09 4.76 0.36 2.61 2.01 -1.26 -4.95 115.64 116.09 1t9a s THR 524 Ca 0.10 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.06 1t9a s THR 524 Cb -0.01 -4.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.15 1t9a s THR 524 CO 0.63 -0.63 1.39 -0.04 -0.69 0.00 0.00 174.62 175.27 1t9a s MET 525 N 2.99 4.21 0.00 4.92 -1.94 -1.26 -2.54 119.30 125.67 1t9a s MET 525 Ca 0.25 2.37 0.00 0.00 -1.71 0.00 0.00 55.69 56.60 1t9a s MET 525 Cb -0.13 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.71 1t9a s MET 525 CO 0.20 -0.37 0.00 0.41 -0.01 0.00 0.00 175.02 175.25 1t9a n GLY 526 N 0.64 0.34 0.22 -0.03 0.00 -1.16 -4.89 105.19 100.30 1t9a n GLY 526 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1t9a n GLY 526 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1t9a h TYR 527 N 0.00 0.64 -0.40 1.61 3.20 -1.75 -3.38 116.97 116.90 1t9a h TYR 527 Ca 0.00 -0.20 0.05 0.00 3.14 0.00 0.00 58.73 61.72 1t9a h TYR 527 Cb 0.00 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.05 1t9a h TYR 527 CO 0.00 0.89 -0.54 0.78 -1.64 0.00 0.00 178.16 177.65 1t9a h GLY 528 N 1.08 -0.93 0.89 1.82 0.00 -1.72 -1.13 103.07 103.07 1t9a h GLY 528 Ca 0.03 0.69 -0.03 0.00 0.00 0.00 0.00 47.33 48.01 1t9a h GLY 528 CO 0.08 -0.13 -0.31 -2.00 0.00 0.00 0.00 176.54 174.18 1t9a h LEU 529 N -0.40 -0.74 -1.25 3.11 5.85 -1.88 -2.18 115.31 117.82 1t9a h LEU 529 Ca 0.08 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1t9a h LEU 529 Cb 0.60 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1t9a h LEU 529 CO -0.59 -0.45 0.18 1.55 -0.34 0.00 0.00 178.44 178.79 1t9a h PRO 530 N -1.00 0.70 -0.84 5.25 0.13 -1.76 -1.54 132.00 132.95 1t9a h PRO 530 Ca -0.09 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1t9a h PRO 530 Cb 0.70 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.67 1t9a h PRO 530 CO 0.15 0.59 0.38 0.00 -0.23 0.00 0.00 178.00 178.89 1t9a h ALA 531 N 1.51 1.10 -0.38 -0.56 0.00 -1.20 -0.64 119.26 119.08 1t9a h ALA 531 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1t9a h ALA 531 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1t9a h ALA 531 CO -0.01 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.00 1t9a h ALA 532 N 1.22 0.50 -0.44 0.00 0.00 -0.82 0.16 119.26 119.88 1t9a h ALA 532 Ca 0.29 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1t9a h ALA 532 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1t9a h ALA 532 CO -0.03 0.17 0.24 0.82 0.00 0.00 0.00 179.25 180.45 1t9a h ILE 533 N 0.47 1.01 -0.46 0.00 2.04 -0.89 0.15 117.51 119.82 1t9a h ILE 533 Ca 0.12 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1t9a h ILE 533 Cb 0.29 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1t9a h ILE 533 CO 0.00 0.09 0.10 1.23 0.00 0.00 0.00 178.15 179.57 1t9a h GLY 534 N 0.49 0.80 1.36 5.37 0.00 -0.87 -2.08 103.07 108.14 1t9a h GLY 534 Ca 0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1t9a h GLY 534 CO -0.10 0.48 0.29 0.00 0.00 0.00 0.00 176.54 177.20 1t9a h ALA 535 N 0.97 1.40 -0.20 3.60 0.00 -0.25 -1.52 119.26 123.26 1t9a h ALA 535 Ca 0.14 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1t9a h ALA 535 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1t9a h ALA 535 CO 0.00 0.48 -0.39 0.37 0.00 0.00 0.00 179.25 179.72 1t9a h GLN 536 N 0.83 0.44 -0.54 0.00 5.75 -0.45 -0.65 115.11 120.50 1t9a h GLN 536 Ca 0.21 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1t9a h GLN 536 Cb 0.08 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1t9a h GLN 536 CO -0.03 0.76 -0.07 0.28 -2.65 0.00 0.00 178.83 177.12 1t9a h VAL 537 N 0.37 1.26 -0.52 2.39 2.07 -0.68 -2.12 116.25 119.03 1t9a h VAL 537 Ca 0.04 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 1t9a h VAL 537 Cb 0.84 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1t9a h VAL 537 CO 0.07 0.43 0.01 0.00 0.02 0.00 0.00 177.57 178.09 1t9a h ALA 538 N 1.03 0.69 -2.86 1.67 0.00 -0.96 -3.36 119.26 115.47 1t9a h ALA 538 Ca 0.15 -0.28 -0.61 0.00 0.00 0.00 0.00 54.91 54.16 1t9a h ALA 538 Cb 0.61 -0.19 -0.41 0.00 0.00 0.00 0.00 17.79 17.80 1t9a h ALA 538 CO 0.04 0.50 -0.67 1.63 0.00 0.00 0.00 179.25 180.75 1t9a n LYS 539 N -4.31 1.52 0.01 0.00 4.76 -0.28 -4.92 118.16 114.95 1t9a n LYS 539 Ca 0.01 -4.21 0.21 0.00 -2.87 0.00 0.00 58.31 51.46 1t9a n LYS 539 Cb 0.32 -2.14 0.72 0.00 -1.84 0.00 0.00 35.03 32.09 1t9a n LYS 539 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1t9a h PRO 540 N 5.34 0.00 -0.01 1.97 0.11 -1.55 -1.93 132.00 135.92 1t9a h PRO 540 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1t9a h PRO 540 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1t9a h PRO 540 CO 0.65 0.00 -0.26 0.39 -0.21 0.00 0.00 178.00 178.57 1t9a n GLU 541 N -4.12 1.02 -2.72 1.05 4.71 -1.26 -4.96 120.64 114.36 1t9a n GLU 541 Ca 0.10 -0.66 -0.30 0.00 -0.01 0.00 0.00 57.16 56.29 1t9a n GLU 541 Cb 0.65 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.56 1t9a n GLU 541 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1t9a s SER 542 N -2.44 6.50 -0.47 1.62 0.01 -0.73 -4.71 113.70 113.48 1t9a s SER 542 Ca 0.25 1.20 -0.22 0.00 1.31 0.00 0.00 55.95 58.48 1t9a s SER 542 Cb 0.19 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 64.10 1t9a s SER 542 CO 0.51 -0.46 0.76 -0.22 0.41 0.00 0.00 173.24 174.23 1t9a s LEU 543 N -4.02 4.38 -0.29 2.44 2.96 0.56 -4.96 118.68 119.75 1t9a s LEU 543 Ca 0.52 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 54.02 1t9a s LEU 543 Cb -0.10 -2.81 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 1t9a s LEU 543 CO 0.33 -0.94 0.14 -0.69 -1.32 0.00 0.00 176.35 173.87 1t9a s VAL 544 N 3.22 4.66 -0.14 1.68 1.01 -1.26 -0.93 120.40 128.64 1t9a s VAL 544 Ca 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1t9a s VAL 544 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1t9a s VAL 544 CO 0.20 0.17 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 1t9a s ILE 545 N 1.64 2.97 -0.50 2.22 1.01 0.21 -1.47 121.20 127.28 1t9a s ILE 545 Ca 0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 1t9a s ILE 545 Cb -0.16 -2.25 0.12 0.00 0.01 0.00 0.00 42.46 40.18 1t9a s ILE 545 CO 0.06 0.52 0.41 -0.62 0.00 0.00 0.00 174.94 175.31 1t9a s ASP 546 N 0.50 5.90 -0.72 3.58 2.15 -0.14 -0.68 116.67 127.26 1t9a s ASP 546 Ca -0.09 -1.86 -0.24 0.00 0.43 0.00 0.00 52.55 50.79 1t9a s ASP 546 Cb -0.16 -2.09 0.06 0.00 -0.30 0.00 0.00 42.92 40.43 1t9a s ASP 546 CO 0.04 -0.76 1.11 -0.63 -0.17 0.00 0.00 175.17 174.77 1t9a s ILE 547 N 1.46 4.10 0.35 4.11 1.01 0.29 -0.23 121.20 132.28 1t9a s ILE 547 Ca 0.05 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1t9a s ILE 547 Cb -0.28 -4.80 -0.04 0.00 0.01 0.00 0.00 42.46 37.36 1t9a s ILE 547 CO 0.01 -1.63 0.20 -0.62 0.00 0.00 0.00 174.94 172.90 1t9a s ASP 548 N 3.76 4.87 0.24 3.58 -1.08 0.16 -3.09 116.67 125.12 1t9a s ASP 548 Ca 0.29 -0.71 0.07 0.00 -0.52 0.00 0.00 52.55 51.68 1t9a s ASP 548 Cb -0.12 -0.78 -0.04 0.00 -1.46 0.00 0.00 42.92 40.52 1t9a s ASP 548 CO 0.10 -0.35 0.19 -0.83 0.52 0.00 0.00 175.17 174.80 1t9a s GLY 549 N -3.91 1.45 0.17 2.66 0.00 -1.26 -1.17 107.32 105.26 1t9a s GLY 549 Ca 0.39 -1.40 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 1t9a s GLY 549 CO 0.24 -1.43 1.61 1.29 0.00 0.00 0.00 173.10 174.81 1t9a h ASP 550 N 1.61 1.02 -0.26 1.64 2.03 -1.86 -0.73 116.42 119.87 1t9a h ASP 550 Ca -0.48 -0.33 -0.16 0.00 -0.73 0.00 0.00 57.03 55.33 1t9a h ASP 550 Cb 1.23 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 39.46 1t9a h ASP 550 CO 0.61 1.10 -0.46 0.00 -1.03 0.00 0.00 179.24 179.47 1t9a h ALA 551 N 0.95 0.41 -0.05 4.15 0.00 -1.94 -2.73 119.26 120.06 1t9a h ALA 551 Ca 0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1t9a h ALA 551 Cb 0.61 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1t9a h ALA 551 CO 0.04 0.56 0.03 0.77 0.00 0.00 0.00 179.25 180.64 1t9a h SER 552 N 0.53 0.06 -0.94 0.00 0.02 -1.86 -2.81 113.55 108.54 1t9a h SER 552 Ca 0.02 -0.08 0.14 0.00 -0.84 0.00 0.00 61.79 61.03 1t9a h SER 552 Cb 1.06 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.50 1t9a h SER 552 CO 0.10 0.12 0.60 0.15 -1.14 0.00 0.00 176.83 176.66 1t9a h PHE 553 N -0.01 0.95 -0.22 3.45 3.57 -1.12 -1.43 116.94 122.13 1t9a h PHE 553 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1t9a h PHE 553 Cb 0.07 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1t9a h PHE 553 CO -0.05 0.34 0.06 -0.91 -2.23 0.00 0.00 178.31 175.52 1t9a h ASN 554 N 0.79 0.28 -0.67 0.41 4.21 -1.21 -0.96 115.58 118.43 1t9a h ASN 554 Ca 0.48 -0.03 0.10 0.00 1.21 0.00 0.00 56.30 58.06 1t9a h ASN 554 Cb 0.68 -0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 37.74 1t9a h ASN 554 CO -0.25 0.29 0.30 0.24 -1.29 0.00 0.00 177.43 176.72 1t9a h MET 555 N 0.31 0.50 0.00 0.81 2.86 -1.25 -3.28 114.93 114.89 1t9a h MET 555 Ca 0.08 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1t9a h MET 555 Cb 0.11 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1t9a h MET 555 CO -0.00 0.33 -0.34 0.25 1.06 0.00 0.00 176.91 178.21 1t9a n THR 556 N -4.92 1.23 0.24 2.22 -2.24 -1.12 -4.84 114.28 104.85 1t9a n THR 556 Ca 0.10 -1.69 0.13 0.00 -2.27 0.00 0.00 64.05 60.32 1t9a n THR 556 Cb 0.28 0.09 0.70 0.00 -2.10 0.00 0.00 70.33 69.30 1t9a n THR 556 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1t9a h LEU 557 N 0.28 0.00 -1.81 3.22 8.10 -1.24 -1.38 115.31 122.48 1t9a h LEU 557 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1t9a h LEU 557 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 1t9a h LEU 557 CO 0.01 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.34 1t9a h THR 558 N 0.00 0.00 0.00 0.15 1.03 -1.87 -2.39 112.91 109.83 1t9a h THR 558 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1t9a h THR 558 Cb 0.36 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 1t9a h THR 558 CO 0.00 0.00 0.00 -0.62 -0.01 0.00 0.00 175.52 174.89 1t9a n GLU 559 N -2.89 0.69 -0.33 0.00 -0.58 -0.52 -3.44 120.64 113.57 1t9a n GLU 559 Ca -0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1t9a n GLU 559 Cb 0.20 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.67 1t9a n GLU 559 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1t9a h LEU 560 N 0.00 1.12 -1.17 -4.62 3.38 -1.66 -1.38 115.31 110.98 1t9a h LEU 560 Ca 0.00 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1t9a h LEU 560 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1t9a h LEU 560 CO 0.00 0.90 -0.37 0.77 0.09 0.00 0.00 178.44 179.83 1t9a h SER 561 N 1.25 0.00 -0.68 -0.43 4.64 -1.74 -2.69 113.55 113.90 1t9a h SER 561 Ca 0.32 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.57 1t9a h SER 561 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1t9a h SER 561 CO -0.05 0.37 0.15 0.28 -0.87 0.00 0.00 176.83 176.71 1t9a h SER 562 N 0.00 1.04 -0.69 4.97 0.02 -1.47 -0.12 113.55 117.30 1t9a h SER 562 Ca -0.00 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1t9a h SER 562 Cb 0.76 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1t9a h SER 562 CO 0.05 1.02 0.44 0.00 -1.14 0.00 0.00 176.83 177.20 1t9a h ALA 563 N 1.07 0.88 0.09 3.77 0.00 -1.08 0.35 119.26 124.34 1t9a h ALA 563 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1t9a h ALA 563 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1t9a h ALA 563 CO 0.01 0.25 -0.04 0.28 0.00 0.00 0.00 179.25 179.74 1t9a h VAL 564 N 0.89 1.05 0.00 0.00 2.07 -1.31 -1.01 116.25 117.93 1t9a h VAL 564 Ca 0.26 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1t9a h VAL 564 Cb -0.05 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1t9a h VAL 564 CO -0.08 0.12 -0.04 -0.61 0.02 0.00 0.00 177.57 176.99 1t9a h GLN 565 N -0.35 0.00 0.00 1.57 4.15 -0.64 -1.90 115.11 117.94 1t9a h GLN 565 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1t9a h GLN 565 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1t9a h GLN 565 CO 0.02 0.04 -0.40 0.00 -1.93 0.00 0.00 178.83 176.56 1t9a n ALA 566 N -2.48 2.79 -2.14 3.38 0.00 0.12 -4.95 120.51 117.23 1t9a n ALA 566 Ca -0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 1t9a n ALA 566 Cb 0.12 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 1t9a n ALA 566 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t9a n GLY 567 N 1.36 0.15 3.36 0.00 0.00 -0.46 -5.01 105.19 104.59 1t9a n GLY 567 Ca 0.04 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1t9a n GLY 567 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t9a s THR 568 N -2.33 4.86 -0.63 2.61 -4.23 -0.76 -4.98 115.64 110.19 1t9a s THR 568 Ca 0.01 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1t9a s THR 568 Cb -0.00 -3.89 -0.10 0.00 1.34 0.00 0.00 72.50 69.85 1t9a s THR 568 CO 0.01 -0.51 2.29 -0.81 -0.54 0.00 0.00 174.62 175.06 1t9a n PRO 569 N 5.09 1.89 -2.30 3.99 -0.04 -1.26 -4.49 135.00 137.88 1t9a n PRO 569 Ca -0.12 -1.20 -0.37 0.00 -0.04 0.00 0.00 63.50 61.78 1t9a n PRO 569 Cb 0.44 -2.24 -0.01 0.00 -0.04 0.00 0.00 33.50 31.65 1t9a n PRO 569 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1t9a s VAL 570 N 2.71 3.19 -0.35 0.52 -7.23 -1.26 -4.48 120.40 113.49 1t9a s VAL 570 Ca 0.42 0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 61.40 1t9a s VAL 570 Cb 0.14 -3.45 0.03 0.00 0.56 0.00 0.00 36.38 33.67 1t9a s VAL 570 CO -0.02 -0.02 0.14 -0.54 -0.31 0.00 0.00 175.10 174.35 1t9a s LYS 571 N -2.69 2.74 -0.28 4.82 -0.14 -0.54 -1.60 119.74 122.05 1t9a s LYS 571 Ca 0.63 -1.11 -0.16 0.00 -1.36 0.00 0.00 55.97 53.97 1t9a s LYS 571 Cb -0.28 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.28 1t9a s LYS 571 CO 0.33 -0.66 0.40 0.42 -0.76 0.00 0.00 175.35 175.09 1t9a s ILE 572 N 1.47 5.15 -0.23 2.17 -1.09 0.78 -0.97 121.20 128.48 1t9a s ILE 572 Ca 0.00 0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 58.95 1t9a s ILE 572 Cb -0.19 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1t9a s ILE 572 CO 0.04 0.11 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.63 1t9a s LEU 573 N 2.13 3.09 -0.32 2.97 2.96 0.68 -0.01 118.68 130.18 1t9a s LEU 573 Ca 0.16 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1t9a s LEU 573 Cb -0.16 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1t9a s LEU 573 CO 0.10 -0.01 0.08 -0.63 -1.32 0.00 0.00 176.35 174.57 1t9a s ILE 574 N 1.45 3.72 -0.94 6.68 1.01 -0.24 0.40 121.20 133.29 1t9a s ILE 574 Ca 0.05 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.49 1t9a s ILE 574 Cb -0.15 -3.04 0.11 0.00 0.01 0.00 0.00 42.46 39.40 1t9a s ILE 574 CO -0.01 -0.08 1.18 -0.76 0.00 0.00 0.00 174.94 175.28 1t9a s LEU 575 N 1.41 4.76 -0.46 2.97 1.43 -0.32 -1.27 118.68 127.20 1t9a s LEU 575 Ca -0.01 -1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 50.93 1t9a s LEU 575 Cb -0.19 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1t9a s LEU 575 CO 0.02 -1.15 0.95 0.21 0.23 0.00 0.00 176.35 176.61 1t9a s ASN 576 N 3.87 6.51 0.00 2.29 2.47 -0.76 -3.86 114.94 125.46 1t9a s ASN 576 Ca 0.35 0.15 0.06 0.00 0.42 0.00 0.00 52.86 53.84 1t9a s ASN 576 Cb -0.04 -2.46 0.17 0.00 -1.45 0.00 0.00 41.25 37.47 1t9a s ASN 576 CO -0.09 -1.08 1.13 -0.46 -3.72 0.00 0.00 177.10 172.88 1t9a n ASN 577 N 7.25 2.50 -3.99 -4.21 0.23 -1.26 -1.39 115.26 114.39 1t9a n ASN 577 Ca 0.07 -1.96 -0.27 0.00 -0.53 0.00 0.00 54.58 51.88 1t9a n ASN 577 Cb 0.49 -0.13 -0.02 0.00 -2.08 0.00 0.00 39.78 38.04 1t9a n ASN 577 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1t9a n GLU 578 N 0.11 -3.53 -3.62 -3.83 1.02 -1.26 -4.78 120.64 104.74 1t9a n GLU 578 Ca 0.07 0.43 -0.05 0.00 -0.02 0.00 0.00 57.16 57.59 1t9a n GLU 578 Cb 0.34 -4.74 -0.02 0.00 -0.02 0.00 0.00 31.44 27.01 1t9a n GLU 578 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1t9a s GLU 579 N -6.59 0.83 -1.17 3.49 -1.05 -1.26 -4.66 118.70 108.28 1t9a s GLU 579 Ca 0.19 -0.40 -0.10 0.00 -0.15 0.00 0.00 54.97 54.51 1t9a s GLU 579 Cb -0.10 0.32 0.23 0.00 -0.44 0.00 0.00 34.13 34.14 1t9a s GLU 579 CO 0.89 -0.37 1.36 1.04 0.95 0.00 0.00 175.26 179.12 1t9a n GLN 580 N -0.35 3.59 -0.38 -4.83 6.02 -0.85 -4.48 117.38 116.10 1t9a n GLN 580 Ca -0.07 -4.14 -0.04 0.00 -0.01 0.00 0.00 57.00 52.74 1t9a n GLN 580 Cb 0.61 -2.77 -0.00 0.00 1.02 0.00 0.00 30.24 29.09 1t9a n GLN 580 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1t9a n GLY 581 N 3.09 -2.13 0.32 1.08 0.00 -1.26 -1.26 105.19 105.02 1t9a n GLY 581 Ca 0.31 1.09 0.05 0.00 0.00 0.00 0.00 46.02 47.47 1t9a n GLY 581 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1t9a h MET 582 N 0.00 0.55 0.03 1.61 1.85 -1.91 0.46 114.93 117.52 1t9a h MET 582 Ca 0.28 -0.03 -0.17 0.00 -0.61 0.00 0.00 59.70 59.17 1t9a h MET 582 Cb 0.52 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 32.44 1t9a h MET 582 CO -0.94 0.37 -0.67 0.28 -0.40 0.00 0.00 176.91 175.55 1t9a h VAL 583 N 0.57 1.44 -0.22 -5.77 2.07 -1.65 -2.85 116.25 109.83 1t9a h VAL 583 Ca 0.18 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 1t9a h VAL 583 Cb 0.01 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1t9a h VAL 583 CO -0.04 0.63 0.06 0.71 0.02 0.00 0.00 177.57 178.95 1t9a h THR 584 N -0.13 1.11 -0.09 2.57 1.35 -0.79 0.73 112.91 117.67 1t9a h THR 584 Ca -0.09 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1t9a h THR 584 Cb 1.40 0.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1t9a h THR 584 CO 0.13 0.13 0.05 -0.61 -0.25 0.00 0.00 175.52 174.97 1t9a h GLN 585 N 0.31 0.12 -0.31 4.72 4.15 -0.87 0.50 115.11 123.73 1t9a h GLN 585 Ca 0.08 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1t9a h GLN 585 Cb 0.12 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1t9a h GLN 585 CO -0.00 0.13 -0.11 -1.49 -1.93 0.00 0.00 178.83 175.43 1t9a h TRP 586 N 0.07 0.56 -0.14 3.99 4.06 -1.12 -0.85 115.95 122.51 1t9a h TRP 586 Ca 0.03 -0.08 -0.10 0.00 2.06 0.00 0.00 58.89 60.80 1t9a h TRP 586 Cb 0.05 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1t9a h TRP 586 CO -0.05 0.62 -0.34 1.96 -3.56 0.00 0.00 178.44 177.06 1t9a h GLN 587 N 0.48 0.29 -0.21 0.49 4.20 -0.23 0.14 115.11 120.27 1t9a h GLN 587 Ca 0.09 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1t9a h GLN 587 Cb 0.49 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1t9a h GLN 587 CO 0.03 0.61 -0.26 0.77 -0.67 0.00 0.00 178.83 179.31 1t9a h SER 588 N 0.25 0.59 0.18 1.46 0.02 0.71 -1.77 113.55 115.00 1t9a h SER 588 Ca 0.03 -0.50 -0.30 0.00 -0.84 0.00 0.00 61.79 60.18 1t9a h SER 588 Cb 0.73 -0.17 0.03 0.00 0.14 0.00 0.00 62.40 63.14 1t9a h SER 588 CO 0.06 0.97 -1.29 -0.07 -1.14 0.00 0.00 176.83 175.36 1t9a h LEU 589 N 0.22 0.82 -0.48 5.07 3.38 -1.03 -3.27 115.31 120.02 1t9a h LEU 589 Ca 0.03 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1t9a h LEU 589 Cb 0.83 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1t9a h LEU 589 CO 0.06 1.63 -0.25 0.49 0.09 0.00 0.00 178.44 180.46 1t9a n PHE 590 N -3.81 0.00 -2.29 1.13 3.01 0.47 -4.64 117.46 111.32 1t9a n PHE 590 Ca -0.15 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.21 1t9a n PHE 590 Cb 1.01 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.54 1t9a n PHE 590 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1t9a n TYR 591 N -0.59 1.68 -4.17 1.38 4.02 -0.76 -5.00 117.16 113.73 1t9a n TYR 591 Ca 0.03 -1.96 -0.31 0.00 -0.01 0.00 0.00 57.90 55.65 1t9a n TYR 591 Cb 0.17 -0.28 -0.08 0.00 -0.02 0.00 0.00 39.34 39.13 1t9a n TYR 591 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1t9a n GLU 592 N -0.62 -0.85 -2.04 -0.72 1.02 -1.19 -1.03 120.64 115.22 1t9a n GLU 592 Ca 0.25 0.07 -0.20 0.00 -0.02 0.00 0.00 57.16 57.26 1t9a n GLU 592 Cb 0.90 -3.15 -0.04 0.00 -0.02 0.00 0.00 31.44 29.12 1t9a n GLU 592 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1t9a n HIS 593 N -4.38 -0.54 -3.03 -0.32 8.25 -0.74 -4.94 115.22 109.52 1t9a n HIS 593 Ca -0.28 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.74 1t9a n HIS 593 Cb 0.63 -3.66 -0.03 0.00 1.12 0.00 0.00 29.99 28.04 1t9a n HIS 593 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1t9a s ARG 594 N -4.44 3.38 -0.80 -0.41 0.52 -0.20 -4.66 118.95 112.33 1t9a s ARG 594 Ca 0.00 -1.61 -0.24 0.00 -0.52 0.00 0.00 55.73 53.36 1t9a s ARG 594 Cb 0.00 -4.56 0.06 0.00 0.52 0.00 0.00 34.95 30.96 1t9a s ARG 594 CO 0.00 -1.65 1.21 0.71 0.02 0.00 0.00 175.30 175.59 1t9a s TYR 595 N 2.51 2.56 -0.50 -0.53 1.51 -1.26 -4.91 117.35 116.73 1t9a s TYR 595 Ca 0.23 -0.54 -0.22 0.00 -1.01 0.00 0.00 57.07 55.53 1t9a s TYR 595 Cb -0.13 -4.51 0.04 0.00 -0.11 0.00 0.00 41.96 37.26 1t9a s TYR 595 CO -0.02 -1.85 0.78 0.45 -1.11 0.00 0.00 175.55 173.79 1t9a s SER 596 N 3.98 6.33 -1.41 2.29 0.15 -1.26 -4.44 113.70 119.34 1t9a s SER 596 Ca 0.33 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.45 1t9a s SER 596 Cb -0.08 -2.37 0.08 0.00 -1.71 0.00 0.00 66.02 61.94 1t9a s SER 596 CO 0.05 -0.99 0.63 1.41 1.20 0.00 0.00 173.24 175.54 1t9a n HIS 597 N 6.76 -1.90 -1.00 3.44 8.25 -1.26 -4.86 115.22 124.65 1t9a n HIS 597 Ca -0.01 0.60 0.07 0.00 -0.26 0.00 0.00 57.72 58.12 1t9a n HIS 597 Cb 0.47 -3.27 0.30 0.00 1.12 0.00 0.00 29.99 28.61 1t9a n HIS 597 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1t9a n THR 598 N -4.18 2.46 -3.79 1.59 -2.24 -1.26 -4.84 114.28 102.01 1t9a n THR 598 Ca 0.00 -1.80 -0.29 0.00 -2.27 0.00 0.00 64.05 59.69 1t9a n THR 598 Cb 0.54 -0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 1t9a n THR 598 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1t9a s HIS 599 N -2.85 1.82 0.08 4.78 3.76 -1.26 -2.00 115.29 119.62 1t9a s HIS 599 Ca 0.46 -1.61 -0.03 0.00 -0.15 0.00 0.00 55.06 53.73 1t9a s HIS 599 Cb 0.37 -1.60 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 1t9a s HIS 599 CO 0.10 -0.80 0.28 1.14 -0.85 0.00 0.00 174.74 174.62 1t9a s GLN 600 N 1.58 3.53 -0.38 1.40 0.00 -1.26 -5.06 119.66 119.47 1t9a s GLN 600 Ca 0.04 -0.25 -0.28 0.00 -0.00 0.00 0.00 55.36 54.87 1t9a s GLN 600 Cb -0.18 -2.97 0.02 0.00 0.00 0.00 0.00 33.01 29.89 1t9a s GLN 600 CO -0.16 0.56 1.05 -1.17 0.00 0.00 0.00 175.29 175.57 1t9a s LEU 601 N -2.46 3.86 0.40 2.60 2.96 -1.26 -4.81 118.68 119.98 1t9a s LEU 601 Ca 0.36 0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 54.88 1t9a s LEU 601 Cb -0.13 -3.46 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 1t9a s LEU 601 CO 0.25 -0.99 0.78 0.20 -1.32 0.00 0.00 176.35 175.27 1t9a s ASN 602 N 1.97 6.59 0.85 3.68 0.01 -1.26 -5.09 114.94 121.69 1t9a s ASN 602 Ca 0.44 1.21 -0.08 0.00 -0.71 0.00 0.00 52.86 53.72 1t9a s ASN 602 Cb -0.11 -2.35 0.17 0.00 0.41 0.00 0.00 41.25 39.37 1t9a s ASN 602 CO 0.21 -0.37 1.17 -2.16 -1.51 0.00 0.00 177.10 174.44 1t9a s PRO 603 N -3.67 1.08 -0.63 -0.60 0.04 -1.26 -4.96 135.00 125.00 1t9a s PRO 603 Ca 0.53 -0.84 -0.28 0.00 0.04 0.00 0.00 61.00 60.45 1t9a s PRO 603 Cb -0.10 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1t9a s PRO 603 CO 0.28 -1.98 1.28 0.34 0.04 0.00 0.00 177.00 176.96 1t9a s ASP 604 N -4.84 6.27 0.31 6.66 -1.08 -1.26 -4.87 116.67 117.85 1t9a s ASP 604 Ca 0.71 -0.05 0.01 0.00 -0.52 0.00 0.00 52.55 52.70 1t9a s ASP 604 Cb -0.04 -2.55 0.56 0.00 -1.46 0.00 0.00 42.92 39.42 1t9a s ASP 604 CO 0.49 -1.67 1.93 -0.26 0.52 0.00 0.00 175.17 176.18 1t9a h PHE 605 N 10.10 1.00 -0.44 -5.34 0.05 -1.98 -0.01 116.94 120.32 1t9a h PHE 605 Ca -0.26 0.03 -0.12 0.00 3.82 0.00 0.00 57.97 61.43 1t9a h PHE 605 Cb 1.06 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.67 1t9a h PHE 605 CO 1.07 0.54 -0.19 0.82 -0.18 0.00 0.00 178.31 180.37 1t9a h ILE 606 N 0.99 1.27 -0.03 -0.55 5.03 -1.90 0.09 117.51 122.42 1t9a h ILE 606 Ca 0.37 -1.33 -0.14 0.00 -0.12 0.00 0.00 64.86 63.63 1t9a h ILE 606 Cb 0.17 1.19 -0.01 0.00 -3.03 0.00 0.00 36.82 35.14 1t9a h ILE 606 CO -0.13 0.45 -0.61 0.11 -0.68 0.00 0.00 178.15 177.29 1t9a h LYS 607 N 0.74 0.12 -0.23 2.37 1.57 -1.88 -2.35 116.57 116.91 1t9a h LYS 607 Ca 0.10 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1t9a h LYS 607 Cb 0.75 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1t9a h LYS 607 CO 0.06 0.70 0.03 1.25 -0.57 0.00 0.00 179.45 180.92 1t9a h LEU 608 N 0.09 0.36 -0.44 2.94 5.85 -0.78 -1.01 115.31 122.33 1t9a h LEU 608 Ca -0.01 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1t9a h LEU 608 Cb 1.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1t9a h LEU 608 CO 0.09 0.53 0.21 0.00 -0.34 0.00 0.00 178.44 178.93 1t9a h ALA 609 N 0.84 0.54 -0.45 1.25 0.00 -0.84 -0.38 119.26 120.22 1t9a h ALA 609 Ca 0.07 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1t9a h ALA 609 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1t9a h ALA 609 CO 0.00 -0.15 0.01 0.93 0.00 0.00 0.00 179.25 180.04 1t9a h GLU 610 N 0.42 0.74 -0.16 0.00 5.08 -1.28 -1.82 114.58 117.54 1t9a h GLU 610 Ca 0.19 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1t9a h GLU 610 Cb 0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1t9a h GLU 610 CO -0.15 0.74 -0.31 0.00 -1.00 0.00 0.00 179.01 178.30 1t9a h ALA 611 N 1.31 1.17 0.00 3.43 0.00 -0.59 -2.59 119.26 122.00 1t9a h ALA 611 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1t9a h ALA 611 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1t9a h ALA 611 CO 0.02 0.54 0.00 -1.33 0.00 0.00 0.00 179.25 178.48 1t9a n MET 612 N -4.10 0.00 0.00 0.00 2.81 -0.21 -4.93 117.12 110.70 1t9a n MET 612 Ca -0.01 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1t9a n MET 612 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1t9a n MET 612 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1t9a n GLY 613 N 1.32 0.92 3.58 3.03 0.00 -0.81 -4.31 105.19 108.91 1t9a n GLY 613 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1t9a n GLY 613 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t9a s LEU 614 N 0.00 2.68 0.25 0.99 2.34 -0.75 -5.01 118.68 119.18 1t9a s LEU 614 Ca 0.00 -1.38 -0.30 0.00 0.06 0.00 0.00 54.13 52.51 1t9a s LEU 614 Cb 0.00 -0.75 -0.09 0.00 -0.56 0.00 0.00 46.19 44.78 1t9a s LEU 614 CO 0.00 -0.51 1.12 -0.75 -1.06 0.00 0.00 176.35 175.15 1t9a s LYS 615 N -3.76 4.61 -0.06 1.48 2.20 -1.15 -3.41 119.74 119.64 1t9a s LYS 615 Ca 0.35 1.81 0.06 0.00 -0.36 0.00 0.00 55.97 57.82 1t9a s LYS 615 Cb 0.09 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 1t9a s LYS 615 CO 0.17 0.14 -0.25 0.20 -0.36 0.00 0.00 175.35 175.25 1t9a s GLY 616 N -0.60 1.28 0.02 5.54 0.00 -1.26 -0.75 107.32 111.55 1t9a s GLY 616 Ca 0.46 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 44.18 1t9a s GLY 616 CO 0.40 -0.63 -0.08 1.08 0.00 0.00 0.00 173.10 173.87 1t9a s LEU 617 N -0.14 2.12 0.06 0.66 1.43 0.78 -4.97 118.68 118.61 1t9a s LEU 617 Ca -0.04 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1t9a s LEU 617 Cb -0.14 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 1t9a s LEU 617 CO 0.04 -0.01 -0.12 -0.60 0.23 0.00 0.00 176.35 175.88 1t9a s ARG 618 N -0.77 0.75 -0.12 1.70 3.52 -1.26 -0.51 118.95 122.27 1t9a s ARG 618 Ca -0.01 -0.84 -0.08 0.00 -0.13 0.00 0.00 55.73 54.67 1t9a s ARG 618 Cb -0.06 -0.70 0.04 0.00 -1.56 0.00 0.00 34.95 32.67 1t9a s ARG 618 CO 0.00 0.16 0.29 0.54 -0.81 0.00 0.00 175.30 175.48 1t9a s VAL 619 N -1.17 -0.02 0.00 7.11 0.11 -0.60 -4.95 120.40 120.87 1t9a s VAL 619 Ca -0.03 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1t9a s VAL 619 Cb -0.09 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1t9a s VAL 619 CO 0.02 0.04 0.00 2.29 -3.33 0.00 0.00 175.10 174.11 1t9a n LYS 620 N 3.82 3.41 -3.64 1.54 2.85 -1.26 -2.05 118.16 122.83 1t9a n LYS 620 Ca -0.21 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.69 1t9a n LYS 620 Cb 0.55 -0.51 -0.08 0.00 -0.65 0.00 0.00 35.03 34.34 1t9a n LYS 620 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1t9a s LYS 621 N -0.59 4.19 0.27 -1.58 1.02 -1.26 -4.46 119.74 117.33 1t9a s LYS 621 Ca 0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.85 1t9a s LYS 621 Cb 0.00 -3.45 0.58 0.00 -0.52 0.00 0.00 37.83 34.45 1t9a s LYS 621 CO 0.00 0.22 1.62 1.96 -0.92 0.00 0.00 175.35 178.23 1t9a h GLN 622 N 6.86 0.10 0.00 1.68 4.20 -1.95 0.71 115.11 126.70 1t9a h GLN 622 Ca -0.40 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1t9a h GLN 622 Cb 1.16 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1t9a h GLN 622 CO 0.74 0.06 0.00 -0.85 -0.67 0.00 0.00 178.83 178.11 1t9a n GLU 623 N -5.37 0.15 0.00 1.46 0.00 -1.26 -2.53 120.64 113.10 1t9a n GLU 623 Ca 0.18 0.18 0.05 0.00 0.00 0.00 0.00 57.16 57.57 1t9a n GLU 623 Cb 0.60 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.50 1t9a n GLU 623 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1t9a n GLU 624 N -1.28 3.14 0.05 3.44 1.02 0.23 -4.72 120.64 122.52 1t9a n GLU 624 Ca 0.05 -0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 56.86 1t9a n GLU 624 Cb 0.08 -1.01 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 1t9a n GLU 624 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1t9a h LEU 625 N 0.42 -0.51 -0.26 -4.62 5.85 -1.42 -2.11 115.31 112.65 1t9a h LEU 625 Ca 0.00 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1t9a h LEU 625 Cb 0.28 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1t9a h LEU 625 CO 0.00 -0.23 -0.09 0.44 -0.34 0.00 0.00 178.44 178.22 1t9a h ASP 626 N -0.27 -0.31 -0.66 1.25 3.32 -1.85 -0.15 116.42 117.76 1t9a h ASP 626 Ca 0.06 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1t9a h ASP 626 Cb 0.35 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1t9a h ASP 626 CO -0.18 -0.11 0.41 0.00 -1.72 0.00 0.00 179.24 177.64 1t9a h ALA 627 N 1.21 0.84 -0.57 3.45 0.00 -1.85 -1.71 119.26 120.63 1t9a h ALA 627 Ca 0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1t9a h ALA 627 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1t9a h ALA 627 CO -0.29 0.30 0.12 0.87 0.00 0.00 0.00 179.25 180.25 1t9a h LYS 628 N 0.90 0.94 -0.72 0.00 1.79 -0.96 -0.07 116.57 118.44 1t9a h LYS 628 Ca 0.24 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1t9a h LYS 628 Cb -0.05 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.45 1t9a h LYS 628 CO -0.05 0.88 0.27 -0.07 -1.08 0.00 0.00 179.45 179.41 1t9a h LEU 629 N 0.84 1.00 0.52 2.94 3.38 -0.82 0.21 115.31 123.37 1t9a h LEU 629 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1t9a h LEU 629 Cb 0.38 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1t9a h LEU 629 CO 0.01 0.90 -0.25 0.11 0.09 0.00 0.00 178.44 179.30 1t9a h LYS 630 N 1.05 -0.67 -0.86 1.13 6.56 -0.96 -1.20 116.57 121.62 1t9a h LYS 630 Ca 0.24 0.05 0.07 0.00 -1.06 0.00 0.00 60.65 59.94 1t9a h LYS 630 Cb 0.23 0.15 -0.06 0.00 -0.57 0.00 0.00 32.23 31.98 1t9a h LYS 630 CO -0.02 -0.42 0.53 1.49 -2.06 0.00 0.00 179.45 178.97 1t9a h GLU 631 N -0.75 0.93 0.30 3.15 4.81 -0.79 -1.57 114.58 120.66 1t9a h GLU 631 Ca -0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1t9a h GLU 631 Cb 0.56 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1t9a h GLU 631 CO 0.12 0.61 -0.39 0.35 -0.73 0.00 0.00 179.01 178.97 1t9a h PHE 632 N 0.96 -1.08 -0.26 0.92 3.57 -0.34 -1.47 116.94 119.24 1t9a h PHE 632 Ca 0.38 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.84 1t9a h PHE 632 Cb 0.20 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1t9a h PHE 632 CO -0.03 -0.53 -0.09 0.28 -2.23 0.00 0.00 178.31 175.71 1t9a h VAL 633 N -0.75 1.21 -0.01 1.41 2.07 -0.96 -3.09 116.25 116.13 1t9a h VAL 633 Ca -0.01 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1t9a h VAL 633 Cb 0.70 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1t9a h VAL 633 CO -0.12 0.29 -0.10 -1.54 0.02 0.00 0.00 177.57 176.11 1t9a n SER 634 N -4.25 1.47 -4.75 0.57 3.41 -0.62 -4.90 113.62 104.55 1t9a n SER 634 Ca 0.00 -1.33 -0.41 0.00 -0.26 0.00 0.00 58.87 56.87 1t9a n SER 634 Cb 0.28 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1t9a n SER 634 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1t9a s THR 635 N -2.18 2.75 0.03 6.66 2.01 -0.57 -4.96 115.64 119.38 1t9a s THR 635 Ca 0.32 0.67 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 1t9a s THR 635 Cb 0.20 -3.43 -0.18 0.00 0.01 0.00 0.00 72.50 69.11 1t9a s THR 635 CO 0.40 0.12 1.45 0.11 -0.69 0.00 0.00 174.62 176.02 1t9a h LYS 636 N 4.52 -0.12 0.00 4.92 1.79 -1.91 -3.47 116.57 122.31 1t9a h LYS 636 Ca -0.47 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1t9a h LYS 636 Cb 1.22 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1t9a h LYS 636 CO 0.73 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.66 1t9a n GLY 637 N -0.44 1.51 3.76 3.86 0.00 -1.26 -4.83 105.19 107.79 1t9a n GLY 637 Ca -0.08 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 1t9a n GLY 637 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t9a s PRO 638 N 2.73 4.50 -0.02 1.61 0.04 -1.26 -4.57 135.00 138.03 1t9a s PRO 638 Ca 0.00 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 1t9a s PRO 638 Cb 0.00 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.52 1t9a s PRO 638 CO 0.00 0.09 0.22 0.54 0.04 0.00 0.00 177.00 177.89 1t9a s VAL 639 N -1.27 0.06 -0.08 -0.36 0.11 -0.63 -2.95 120.40 115.29 1t9a s VAL 639 Ca 0.48 -0.49 0.05 0.00 -2.93 0.00 0.00 61.98 59.09 1t9a s VAL 639 Cb -0.30 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1t9a s VAL 639 CO 0.39 -0.27 -0.25 -0.22 -3.33 0.00 0.00 175.10 171.43 1t9a s LEU 640 N -1.09 2.08 -0.15 2.54 0.20 0.07 -0.15 118.68 122.17 1t9a s LEU 640 Ca -0.12 -0.53 0.00 0.00 0.69 0.00 0.00 54.13 54.17 1t9a s LEU 640 Cb -0.06 -1.38 0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1t9a s LEU 640 CO 0.02 0.21 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.96 1t9a s LEU 641 N 0.05 1.69 -0.17 -0.68 2.96 0.99 -0.15 118.68 123.37 1t9a s LEU 641 Ca -0.10 -0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 53.18 1t9a s LEU 641 Cb -0.16 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.39 1t9a s LEU 641 CO 0.06 -0.10 0.14 -0.70 -1.32 0.00 0.00 176.35 174.44 1t9a s GLU 642 N 1.53 3.93 -0.19 1.98 2.12 0.34 -1.07 118.70 127.32 1t9a s GLU 642 Ca 0.04 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.21 1t9a s GLU 642 Cb -0.14 -3.34 0.03 0.00 0.26 0.00 0.00 34.13 30.95 1t9a s GLU 642 CO -0.10 0.47 -0.16 0.08 -0.54 0.00 0.00 175.26 175.01 1t9a s VAL 643 N -0.14 1.95 -0.17 3.70 1.01 -0.40 -1.56 120.40 124.80 1t9a s VAL 643 Ca 0.11 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1t9a s VAL 643 Cb -0.11 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1t9a s VAL 643 CO 0.00 0.37 1.34 -1.61 0.00 0.00 0.00 175.10 175.21 1t9a s GLU 644 N 1.30 4.17 0.26 2.72 2.02 -0.87 -1.83 118.70 126.46 1t9a s GLU 644 Ca 0.02 1.69 0.11 0.00 0.02 0.00 0.00 54.97 56.81 1t9a s GLU 644 Cb -0.15 -3.82 -0.05 0.00 0.10 0.00 0.00 34.13 30.21 1t9a s GLU 644 CO -0.11 -0.80 -0.13 0.14 0.02 0.00 0.00 175.26 174.38 1t9a s VAL 645 N 3.77 2.85 0.90 2.63 -7.23 -0.48 -4.01 120.40 118.83 1t9a s VAL 645 Ca 0.58 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.50 1t9a s VAL 645 Cb -0.23 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.27 1t9a s VAL 645 CO 0.18 -0.33 0.60 -0.67 -0.31 0.00 0.00 175.10 174.58 1t9a n ASP 646 N -0.54 -1.33 -4.70 4.85 2.03 -0.12 -4.47 116.55 112.27 1t9a n ASP 646 Ca -0.07 0.40 -0.23 0.00 0.52 0.00 0.00 54.79 55.41 1t9a n ASP 646 Cb 0.59 -1.28 -0.07 0.00 -0.72 0.00 0.00 41.12 39.64 1t9a n ASP 646 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1t9a s LYS 647 N -3.70 2.30 -1.51 -0.67 1.02 -1.26 -4.70 119.74 111.23 1t9a s LYS 647 Ca 0.61 -1.56 -0.13 0.00 0.02 0.00 0.00 55.97 54.90 1t9a s LYS 647 Cb -0.24 -2.13 0.10 0.00 -0.52 0.00 0.00 37.83 35.04 1t9a s LYS 647 CO 0.63 0.16 0.80 1.63 -0.92 0.00 0.00 175.35 177.65 1t9a n LYS 648 N -1.06 -4.41 -3.44 1.68 4.76 -1.26 -4.94 118.16 109.48 1t9a n LYS 648 Ca -0.04 0.53 -0.41 0.00 -2.87 0.00 0.00 58.31 55.52 1t9a n LYS 648 Cb 0.61 -5.34 -0.10 0.00 -1.84 0.00 0.00 35.03 28.36 1t9a n LYS 648 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t9a s VAL 649 N -3.19 5.20 0.47 -0.18 1.01 -1.26 -5.06 120.40 117.39 1t9a s VAL 649 Ca 0.60 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1t9a s VAL 649 Cb -0.31 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1t9a s VAL 649 CO 0.74 -0.12 1.08 -2.16 0.00 0.00 0.00 175.10 174.64 1t9a s PRO 650 N 1.91 3.78 -0.18 2.72 0.04 -1.26 -5.01 135.00 137.01 1t9a s PRO 650 Ca 0.10 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.41 1t9a s PRO 650 Cb -0.17 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 1t9a s PRO 650 CO 0.11 -0.47 0.71 0.08 0.04 0.00 0.00 177.00 177.48 1t9a s VAL 651 N -1.81 4.97 0.08 -0.36 1.01 -1.26 -5.05 120.40 117.97 1t9a s VAL 651 Ca 0.66 1.38 0.02 0.00 0.00 0.00 0.00 61.98 64.04 1t9a s VAL 651 Cb -0.21 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1t9a s VAL 651 CO 0.25 0.09 -0.07 -0.76 0.00 0.00 0.00 175.10 174.61 1t9a s LEU 652 N 1.91 2.43 1.10 3.92 1.43 -1.26 -4.50 118.68 123.70 1t9a s LEU 652 Ca 0.33 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1t9a s LEU 652 Cb -0.16 -0.08 0.24 0.00 0.03 0.00 0.00 46.19 46.22 1t9a s LEU 652 CO 0.12 -0.39 1.07 -2.84 0.23 0.00 0.00 176.35 174.54 1t9a s PRO 653 N -3.10 -0.39 -0.10 1.29 0.02 -1.26 -4.87 135.00 126.58 1t9a s PRO 653 Ca 0.04 0.48 -0.07 0.00 0.02 0.00 0.00 61.00 61.47 1t9a s PRO 653 Cb 0.00 -1.65 0.04 0.00 0.02 0.00 0.00 34.50 32.92 1t9a s PRO 653 CO -0.03 -3.27 0.25 1.41 -0.33 0.00 0.00 177.00 175.02 1t9a s MET 654 N -4.89 0.25 -0.15 5.54 1.75 -0.93 -4.29 119.30 116.57 1t9a s MET 654 Ca 0.67 0.45 0.00 0.00 -1.25 0.00 0.00 55.69 55.56 1t9a s MET 654 Cb -0.19 0.00 0.03 0.00 2.84 0.00 0.00 34.83 37.51 1t9a s MET 654 CO 0.59 -0.10 -0.10 0.08 -0.65 0.00 0.00 175.02 174.84 1t9a s VAL 655 N 0.74 1.36 0.26 10.11 1.01 0.16 -0.88 120.40 133.15 1t9a s VAL 655 Ca -0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1t9a s VAL 655 Cb -0.06 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1t9a s VAL 655 CO -0.05 0.32 0.30 0.00 0.00 0.00 0.00 175.10 175.68 1t9a s ALA 656 N 1.55 0.85 0.00 5.51 0.00 -1.26 -4.55 121.76 123.86 1t9a s ALA 656 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1t9a s ALA 656 Cb -0.14 1.28 0.00 0.00 0.00 0.00 0.00 23.12 24.26 1t9a s ALA 656 CO -0.09 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1t9a n GLY 657 N -0.41 3.45 1.38 0.00 0.00 -1.26 -2.00 105.19 106.36 1t9a n GLY 657 Ca 0.02 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1t9a n GLY 657 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t9a n GLY 658 N 0.00 2.27 3.79 -0.02 0.00 -1.26 -4.45 105.19 105.53 1t9a n GLY 658 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 1t9a n GLY 658 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t9a s SER 659 N -0.82 6.00 0.49 1.61 0.01 -0.85 -4.67 113.70 115.47 1t9a s SER 659 Ca 0.43 1.94 -0.01 0.00 1.31 0.00 0.00 55.95 59.62 1t9a s SER 659 Cb 0.28 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1t9a s SER 659 CO 0.21 -1.02 0.73 -0.83 0.41 0.00 0.00 173.24 172.74 1t9a s GLY 660 N -2.21 1.60 0.57 3.44 0.00 -1.26 -0.97 107.32 108.48 1t9a s GLY 660 Ca 0.67 -1.00 0.27 0.00 0.00 0.00 0.00 44.72 44.66 1t9a s GLY 660 CO 0.27 -0.80 2.05 1.41 0.00 0.00 0.00 173.10 176.03 1t9a h LEU 661 N 0.24 0.00 -1.67 0.66 3.38 -1.85 0.18 115.31 116.25 1t9a h LEU 661 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1t9a h LEU 661 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1t9a h LEU 661 CO 0.58 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 1t9a n ASP 662 N -3.96 2.47 -2.86 -0.43 5.75 -1.26 -4.26 116.55 111.99 1t9a n ASP 662 Ca 0.04 -1.88 -0.33 0.00 -0.01 0.00 0.00 54.79 52.61 1t9a n ASP 662 Cb 0.42 -0.21 0.01 0.00 -1.03 0.00 0.00 41.12 40.31 1t9a n ASP 662 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1t9a n GLU 663 N 0.85 3.50 -2.64 0.11 1.02 0.62 -5.05 120.64 119.05 1t9a n GLU 663 Ca 0.17 -4.33 -0.28 0.00 -0.02 0.00 0.00 57.16 52.71 1t9a n GLU 663 Cb 0.44 -2.29 -0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1t9a n GLU 663 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1t9a s PHE 664 N -3.80 3.56 -0.19 -0.32 -0.12 -1.26 -4.58 117.98 111.28 1t9a s PHE 664 Ca 0.48 0.83 -0.16 0.00 -0.05 0.00 0.00 56.93 58.03 1t9a s PHE 664 Cb 0.36 -2.31 -0.04 0.00 -0.63 0.00 0.00 43.02 40.39 1t9a s PHE 664 CO -0.24 -0.27 0.39 0.42 -0.05 0.00 0.00 175.22 175.47 1t9a s ILE 665 N -2.72 5.21 0.27 -4.49 1.01 -0.06 -4.90 121.20 115.52 1t9a s ILE 665 Ca 0.48 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.89 1t9a s ILE 665 Cb -0.10 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1t9a s ILE 665 CO 0.44 0.28 0.31 0.21 0.00 0.00 0.00 174.94 176.18 1t9a s ASN 666 N 0.93 5.89 0.27 3.58 3.04 -1.26 -2.20 114.94 125.19 1t9a s ASN 666 Ca 0.19 -0.14 -0.29 0.00 0.04 0.00 0.00 52.86 52.66 1t9a s ASN 666 Cb -0.14 -1.52 -0.09 0.00 -1.54 0.00 0.00 41.25 37.95 1t9a s ASN 666 CO 0.08 -0.14 1.16 0.12 -3.04 0.00 0.00 177.10 175.27 1t9a s PHE 667 N -2.10 3.45 -0.24 0.43 5.36 -1.26 -5.03 117.98 118.60 1t9a s PHE 667 Ca 0.36 1.60 -0.02 0.00 -0.96 0.00 0.00 56.93 57.90 1t9a s PHE 667 Cb -0.08 -3.38 0.12 0.00 -0.34 0.00 0.00 43.02 39.33 1t9a s PHE 667 CO 0.28 -0.91 0.31 0.34 -1.46 0.00 0.00 175.22 173.78 1t9a s ASP 668 N -0.63 0.88 0.39 6.13 -1.08 -1.26 -5.03 116.67 116.08 1t9a s ASP 668 Ca 0.47 -0.13 0.15 0.00 -0.52 0.00 0.00 52.55 52.51 1t9a s ASP 668 Cb -0.34 0.76 0.99 0.00 -1.46 0.00 0.00 42.92 42.88 1t9a s ASP 668 CO 0.43 -0.33 1.85 1.55 0.52 0.00 0.00 175.17 179.18 1t9a h PRO 669 N 8.24 0.49 -0.16 4.34 0.13 -1.97 -0.57 132.00 142.51 1t9a h PRO 669 Ca -0.17 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 1t9a h PRO 669 Cb 1.14 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1t9a h PRO 669 CO 0.29 0.32 -0.03 1.49 -0.23 0.00 0.00 178.00 179.84 1t9a h GLU 670 N 0.50 0.30 -0.81 0.86 4.81 -2.00 -2.45 114.58 115.79 1t9a h GLU 670 Ca 0.48 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 1t9a h GLU 670 Cb 1.06 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 1t9a h GLU 670 CO -0.21 0.57 0.36 0.28 -0.73 0.00 0.00 179.01 179.28 1t9a h VAL 671 N 0.01 1.26 -0.91 0.32 2.07 -1.69 -1.59 116.25 115.72 1t9a h VAL 671 Ca 0.04 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1t9a h VAL 671 Cb 0.45 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1t9a h VAL 671 CO 0.01 0.32 0.59 -0.08 0.02 0.00 0.00 177.57 178.43 1t9a h GLU 672 N 1.17 1.20 -0.53 1.57 4.81 -1.08 0.21 114.58 121.92 1t9a h GLU 672 Ca 0.28 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1t9a h GLU 672 Cb 0.16 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1t9a h GLU 672 CO -0.03 0.81 0.06 -0.09 -0.73 0.00 0.00 179.01 179.03 1t9a h ARG 673 N 1.23 0.90 -0.33 1.92 1.12 -1.01 -0.37 114.38 117.85 1t9a h ARG 673 Ca 0.33 -0.25 -0.07 0.00 -1.11 0.00 0.00 59.98 58.87 1t9a h ARG 673 Cb -0.12 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 29.73 1t9a h ARG 673 CO -0.07 0.89 -0.08 1.96 -3.11 0.00 0.00 179.97 179.56 1t9a h GLN 674 N 0.78 0.63 -0.17 0.20 4.20 -0.77 -2.42 115.11 117.57 1t9a h GLN 674 Ca 0.16 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1t9a h GLN 674 Cb 0.44 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1t9a h GLN 674 CO 0.02 0.80 -0.00 1.96 -0.67 0.00 0.00 178.83 180.93 1t9a h GLN 675 N 0.41 0.24 -0.26 1.46 1.08 -0.42 -0.94 115.11 116.68 1t9a h GLN 675 Ca 0.08 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1t9a h GLN 675 Cb 0.57 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1t9a h GLN 675 CO 0.03 0.27 -0.02 1.15 -0.95 0.00 0.00 178.83 179.31 1t9a h THR 676 N 0.24 1.27 -0.21 -0.54 2.02 -0.81 -0.67 112.91 114.20 1t9a h THR 676 Ca 0.06 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1t9a h THR 676 Cb 0.17 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1t9a h THR 676 CO 0.00 0.31 0.14 -0.33 0.37 0.00 0.00 175.52 176.01 1t9a h GLU 677 N 0.24 0.28 -0.37 6.66 5.08 -0.91 -1.74 114.58 123.82 1t9a h GLU 677 Ca 0.07 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1t9a h GLU 677 Cb 0.46 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1t9a h GLU 677 CO 0.02 0.19 0.25 1.25 -1.00 0.00 0.00 179.01 179.71 1t9a h LEU 678 N 0.29 0.40 -0.11 1.33 5.85 -1.07 -2.64 115.31 119.37 1t9a h LEU 678 Ca 0.08 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1t9a h LEU 678 Cb -0.03 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1t9a h LEU 678 CO -0.02 0.29 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.17 1t9a h ARG 679 N 0.47 0.27 -0.61 1.25 2.43 -0.48 -2.08 114.38 115.62 1t9a h ARG 679 Ca 0.14 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1t9a h ARG 679 Cb -0.01 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1t9a h ARG 679 CO -0.03 0.68 0.41 0.45 -1.51 0.00 0.00 179.97 179.97 1t9a h HIS 680 N -0.14 0.57 0.17 2.20 3.86 -1.00 -1.06 115.15 119.75 1t9a h HIS 680 Ca 0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1t9a h HIS 680 Cb 0.64 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1t9a h HIS 680 CO 0.09 0.30 -0.08 0.87 0.86 0.00 0.00 177.93 179.97 1t9a h LYS 681 N 0.56 -0.22 -0.66 2.45 1.57 -1.45 0.57 116.57 119.40 1t9a h LYS 681 Ca 0.27 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.15 1t9a h LYS 681 Cb 0.33 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1t9a h LYS 681 CO -0.08 0.16 0.44 0.00 -0.57 0.00 0.00 179.45 179.39 1t9a h ARG 682 N -0.94 0.53 -0.31 3.15 3.08 -1.20 -1.24 114.38 117.46 1t9a h ARG 682 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1t9a h ARG 682 Cb 0.48 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1t9a h ARG 682 CO 0.04 0.35 0.00 0.25 -1.07 0.00 0.00 179.97 179.54 1t9a n THR 683 N -4.48 0.41 -2.91 2.04 -2.24 -0.42 -4.91 114.28 101.78 1t9a n THR 683 Ca 0.11 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 1t9a n THR 683 Cb 0.32 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1t9a n THR 683 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t9a n GLY 684 N 1.16 -0.40 2.58 3.38 0.00 -0.47 -1.95 105.19 109.50 1t9a n GLY 684 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1t9a n GLY 684 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t9a n GLY 685 N -1.43 0.42 0.14 -0.02 0.00 0.20 -4.89 105.19 99.61 1t9a n GLY 685 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1t9a n GLY 685 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t9a h LYS 686 N 1.00 0.21 0.00 1.61 1.79 -1.63 -3.50 116.57 116.04 1t9a h LYS 686 Ca 0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1t9a h LYS 686 Cb 0.25 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1t9a h LYS 686 CO 0.00 0.87 0.00 0.72 -1.08 0.00 0.00 179.45 179.96