#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 4.06 0.02 -1.24 -1.94 -1.26 0.88 119.30 119.82 1t9a s MET 85 Ca 0.00 1.10 0.07 0.00 -1.71 0.00 0.00 55.69 55.14 1t9a s MET 85 Cb 0.00 -2.15 -0.02 0.00 2.01 0.00 0.00 34.83 34.67 1t9a s MET 85 CO 0.00 -0.17 -0.20 0.34 -0.01 0.00 0.00 175.02 174.98 1t9a s ASP 86 N -2.45 2.33 0.00 3.03 3.68 0.21 -4.63 116.67 118.84 1t9a s ASP 86 Ca 0.62 -0.45 0.00 0.00 2.13 0.00 0.00 52.55 54.84 1t9a s ASP 86 Cb -0.10 -0.21 0.00 0.00 -1.45 0.00 0.00 42.92 41.15 1t9a s ASP 86 CO 0.20 0.18 0.65 0.35 0.13 0.00 0.00 175.17 176.68 1t9a n THR 87 N 2.13 0.37 0.28 1.71 -2.24 -1.26 -1.11 114.28 114.16 1t9a n THR 87 Ca -0.16 -0.40 0.18 0.00 -2.27 0.00 0.00 64.05 61.40 1t9a n THR 87 Cb 0.53 0.89 0.95 0.00 -2.10 0.00 0.00 70.33 70.61 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 0.00 0.00 0.00 3.42 4.64 -1.96 -1.87 113.55 117.77 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 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1t9a h SER 88 CO 0.00 0.00 -1.24 0.49 -0.87 0.00 0.00 176.83 175.21 1t9a n PHE 89 N -2.77 0.00 -1.67 4.77 0.99 -1.26 -4.97 117.46 112.55 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 -0.18 -0.03 0.00 -1.00 0.00 0.00 39.48 38.35 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 -1.71 0.85 -0.04 -4.37 0.31 -0.71 -1.10 118.33 111.56 1t9a n VAL 90 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1t9a n VAL 90 Cb 0.34 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 2.27 0.88 3.94 2.92 0.00 0.14 -4.98 105.19 110.36 1t9a n GLY 91 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 4.23 0.56 0.99 1.43 -0.26 -4.80 118.68 120.83 1t9a s LEU 92 Ca 0.00 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1t9a s LEU 92 Cb 0.00 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 1t9a s LEU 92 CO 0.00 -0.06 0.87 0.42 0.23 0.00 0.00 176.35 177.82 1t9a s THR 93 N -1.91 4.14 0.32 5.49 -4.23 -1.26 -0.42 115.64 117.78 1t9a s THR 93 Ca 0.37 0.13 0.03 0.00 -1.18 0.00 0.00 61.69 61.05 1t9a s THR 93 Cb -0.11 -3.62 0.29 0.00 1.34 0.00 0.00 72.50 70.41 1t9a s THR 93 CO 0.30 -0.64 1.90 1.23 -0.54 0.00 0.00 174.62 176.87 1t9a h GLY 94 N -0.05 1.29 0.98 3.99 0.00 -0.28 0.25 103.07 109.24 1t9a h GLY 94 Ca -0.46 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 1t9a h GLY 94 CO 0.61 0.23 0.24 -1.33 0.00 0.00 0.00 176.54 176.29 1t9a h GLY 95 N 0.92 0.81 1.20 4.60 0.00 -1.01 -0.18 103.07 109.41 1t9a h GLY 95 Ca 0.40 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1t9a h GLY 95 CO -0.17 0.40 -0.04 1.46 0.00 0.00 0.00 176.54 178.19 1t9a h GLN 96 N 0.70 0.96 -0.77 4.80 4.20 -1.55 -1.40 115.11 122.04 1t9a h GLN 96 Ca 0.18 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1t9a h GLN 96 Cb 0.15 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1t9a h GLN 96 CO -0.02 0.97 0.39 0.82 -0.67 0.00 0.00 178.83 180.32 1t9a h ILE 97 N 0.87 1.24 -0.55 2.54 2.04 -0.67 -0.99 117.51 121.98 1t9a h ILE 97 Ca 0.15 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1t9a h ILE 97 Cb 0.57 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1t9a h ILE 97 CO 0.03 0.27 0.36 0.15 0.00 0.00 0.00 178.15 178.97 1t9a h PHE 98 N 1.08 0.68 -0.39 1.37 3.57 -0.36 0.90 116.94 123.81 1t9a h PHE 98 Ca 0.27 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1t9a h PHE 98 Cb 0.07 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1t9a h PHE 98 CO 0.01 0.42 0.24 -0.97 -2.23 0.00 0.00 178.31 175.78 1t9a h ASN 99 N 0.73 0.39 -0.43 0.41 -0.00 -0.34 -2.06 115.58 114.28 1t9a h ASN 99 Ca 0.20 -0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.49 1t9a h ASN 99 Cb -0.07 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.14 1t9a h ASN 99 CO -0.05 0.29 0.21 -0.33 -0.00 0.00 0.00 177.43 177.55 1t9a h GLU 100 N 0.48 0.62 -0.43 6.67 4.39 -0.70 -2.90 114.58 122.71 1t9a h GLU 100 Ca 0.15 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1t9a h GLU 100 Cb -0.02 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1t9a h GLU 100 CO -0.06 0.53 0.29 0.52 -1.16 0.00 0.00 179.01 179.13 1t9a h MET 101 N 0.56 0.55 -0.72 2.33 2.86 -0.54 -1.19 114.93 118.78 1t9a h MET 101 Ca 0.15 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1t9a h MET 101 Cb 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1t9a h MET 101 CO -0.02 0.36 0.38 0.52 1.06 0.00 0.00 176.91 179.22 1t9a h MET 102 N 0.57 1.01 -0.09 1.72 2.86 -1.17 0.21 114.93 120.04 1t9a h MET 102 Ca 0.16 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1t9a h MET 102 Cb -0.03 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 1t9a h MET 102 CO -0.04 0.75 0.00 1.03 1.06 0.00 0.00 176.91 179.72 1t9a h SER 103 N 1.01 0.15 -0.85 1.22 0.87 -1.23 0.12 113.55 114.84 1t9a h SER 103 Ca 0.26 -0.30 0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1t9a h SER 103 Cb 0.04 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 61.90 1t9a h SER 103 CO -0.04 0.41 0.52 0.03 -0.53 0.00 0.00 176.83 177.22 1t9a h ARG 104 N -0.12 0.88 0.00 2.24 2.47 -0.85 0.14 114.38 119.14 1t9a h ARG 104 Ca 0.02 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1t9a h ARG 104 Cb 0.33 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1t9a h ARG 104 CO 0.00 0.58 0.00 1.04 0.56 0.00 0.00 179.97 182.16 1t9a n GLN 105 N -4.66 1.00 -3.59 0.04 1.13 0.02 -4.89 117.38 106.42 1t9a n GLN 105 Ca 0.13 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.98 1t9a n GLN 105 Cb 0.22 -1.19 0.06 0.00 0.11 0.00 0.00 30.24 29.44 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 -0.69 -2.74 -4.68 1.08 5.15 0.50 -4.96 115.26 108.92 1t9a n ASN 106 Ca 0.09 -0.69 -0.38 0.00 -0.60 0.00 0.00 54.58 53.00 1t9a n ASN 106 Cb 0.04 -4.65 -0.07 0.00 -0.53 0.00 0.00 39.78 34.57 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 -3.45 5.16 -1.28 3.44 1.01 0.37 -4.94 120.40 120.71 1t9a s VAL 107 Ca 0.16 0.89 0.11 0.00 0.00 0.00 0.00 61.98 63.13 1t9a s VAL 107 Cb -0.08 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.57 1t9a s VAL 107 CO 0.77 0.25 0.81 -0.90 0.00 0.00 0.00 175.10 176.02 1t9a n ASP 108 N 4.33 1.79 -3.70 3.32 5.68 -1.26 -4.52 116.55 122.19 1t9a n ASP 108 Ca -0.06 -1.40 -0.12 0.00 -0.50 0.00 0.00 54.79 52.71 1t9a n ASP 108 Cb 0.51 0.07 -0.10 0.00 -1.14 0.00 0.00 41.12 40.46 1t9a n ASP 108 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1t9a s THR 109 N -0.96 -0.01 -0.08 2.12 2.01 -1.26 -1.52 115.64 115.94 1t9a s THR 109 Ca 0.12 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1t9a s THR 109 Cb 0.09 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.92 1t9a s THR 109 CO 0.15 0.01 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.28 1t9a s VAL 110 N 0.76 1.21 -0.20 3.82 1.01 0.18 -4.39 120.40 122.80 1t9a s VAL 110 Ca -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1t9a s VAL 110 Cb -0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1t9a s VAL 110 CO -0.06 0.38 0.06 -0.36 0.00 0.00 0.00 175.10 175.12 1t9a s PHE 111 N 0.84 3.20 0.15 5.22 0.40 0.15 -1.03 117.98 126.91 1t9a s PHE 111 Ca -0.11 -0.04 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 1t9a s PHE 111 Cb -0.15 -2.11 0.07 0.00 0.51 0.00 0.00 43.02 41.33 1t9a s PHE 111 CO 0.02 0.03 0.89 0.41 0.70 0.00 0.00 175.22 177.26 1t9a n GLY 112 N 3.86 0.69 3.05 4.36 0.00 -0.96 -0.88 105.19 115.31 1t9a n GLY 112 Ca -0.16 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1t9a n GLY 112 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1t9a s TYR 113 N -2.66 -0.40 0.93 1.61 5.04 -0.78 -4.05 117.35 117.03 1t9a s TYR 113 Ca 0.20 0.93 -0.11 0.00 -2.44 0.00 0.00 57.07 55.64 1t9a s TYR 113 Cb -0.02 0.02 0.15 0.00 0.35 0.00 0.00 41.96 42.46 1t9a s TYR 113 CO 0.05 -0.31 1.09 -1.25 -1.34 0.00 0.00 175.55 173.79 1t9a s PRO 114 N 1.88 1.00 0.10 4.97 0.04 -1.26 -3.62 135.00 138.11 1t9a s PRO 114 Ca -0.04 0.96 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 1t9a s PRO 114 Cb -0.11 -1.77 0.08 0.00 0.04 0.00 0.00 34.50 32.74 1t9a s PRO 114 CO -0.09 -2.45 1.07 0.20 0.04 0.00 0.00 177.00 175.77 1t9a s GLY 115 N -3.19 -0.29 0.05 0.56 0.00 -1.26 -4.71 107.32 98.49 1t9a s GLY 115 Ca 0.64 0.30 -0.20 0.00 0.00 0.00 0.00 44.72 45.47 1t9a s GLY 115 CO 0.58 0.10 1.31 -1.33 0.00 0.00 0.00 173.10 173.76 1t9a h GLY 116 N 2.00 -1.09 0.39 0.20 0.00 -1.97 -2.80 103.07 99.80 1t9a h GLY 116 Ca -0.26 0.52 0.20 0.00 0.00 0.00 0.00 47.33 47.79 1t9a h GLY 116 CO 0.27 -0.34 0.58 0.00 0.00 0.00 0.00 176.54 177.04 1t9a h ALA 117 N -1.16 2.36 -0.54 3.60 0.00 -1.93 -0.91 119.26 120.69 1t9a h ALA 117 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t9a h ALA 117 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1t9a h ALA 117 CO -0.09 -0.62 0.00 1.51 0.00 0.00 0.00 179.25 180.05 1t9a n ILE 118 N -4.44 1.06 -0.24 0.00 0.13 -1.16 -4.21 119.36 110.49 1t9a n ILE 118 Ca 0.18 -0.82 -0.01 0.00 -1.10 0.00 0.00 62.75 60.99 1t9a n ILE 118 Cb 0.73 0.22 0.10 0.00 -0.84 0.00 0.00 39.64 39.85 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 3.23 0.61 -1.91 9.51 3.38 -0.89 -2.39 115.31 126.85 1t9a h LEU 119 Ca 0.00 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1t9a h LEU 119 Cb 0.95 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1t9a h LEU 119 CO 0.08 0.39 0.43 -0.65 0.09 0.00 0.00 178.44 178.79 1t9a h PRO 120 N 0.74 0.09 0.22 1.13 0.11 -1.82 -0.96 132.00 131.50 1t9a h PRO 120 Ca 0.31 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 66.07 1t9a h PRO 120 Cb 0.17 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 31.28 1t9a h PRO 120 CO -0.17 0.06 -1.62 0.28 -0.21 0.00 0.00 178.00 176.33 1t9a h VAL 121 N 0.09 1.09 0.00 3.15 2.07 -1.73 -3.17 116.25 117.75 1t9a h VAL 121 Ca 0.29 -2.59 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1t9a h VAL 121 Cb 1.03 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1t9a h VAL 121 CO -0.03 0.83 -0.15 1.88 0.02 0.00 0.00 177.57 180.13 1t9a h TYR 122 N 0.11 0.00 0.01 1.57 -1.99 -0.96 -1.71 116.97 114.00 1t9a h TYR 122 Ca -0.31 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.21 1t9a h TYR 122 Cb 2.12 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.85 1t9a h TYR 122 CO 0.12 0.15 -0.92 0.22 -0.00 0.00 0.00 178.16 177.73 1t9a h ASP 123 N 0.00 0.39 0.84 3.88 3.58 -1.30 -2.77 116.42 121.05 1t9a h ASP 123 Ca -0.00 -0.32 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 1t9a h ASP 123 Cb 0.35 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1t9a h ASP 123 CO 0.02 1.12 -0.50 0.00 -2.88 0.00 0.00 179.24 177.00 1t9a h ALA 124 N 0.85 0.92 -0.71 -0.78 0.00 -1.33 -2.99 119.26 115.21 1t9a h ALA 124 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1t9a h ALA 124 Cb 1.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1t9a h ALA 124 CO 0.15 0.63 0.00 0.44 0.00 0.00 0.00 179.25 180.47 1t9a n ILE 125 N -3.58 1.27 -1.73 0.00 -5.35 -0.72 -4.83 119.36 104.43 1t9a n ILE 125 Ca -0.00 -1.06 -0.42 0.00 -0.27 0.00 0.00 62.75 60.99 1t9a n ILE 125 Cb 0.59 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 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 -1.27 2.08 -1.46 4.28 2.46 -1.05 -1.59 115.29 118.74 1t9a s HIS 126 Ca 0.50 -0.04 -0.12 0.00 0.47 0.00 0.00 55.06 55.87 1t9a s HIS 126 Cb 0.28 -4.17 0.09 0.00 -0.13 0.00 0.00 32.58 28.65 1t9a s HIS 126 CO 0.31 -4.87 0.72 0.09 -2.47 0.00 0.00 174.74 168.52 1t9a n ASN 127 N 5.86 -4.25 -4.77 9.88 3.02 -1.26 -4.90 115.26 118.84 1t9a n ASN 127 Ca 0.18 -0.62 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 1t9a n ASN 127 Cb 0.39 -3.45 -0.03 0.00 -0.61 0.00 0.00 39.78 36.07 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 -3.01 6.82 0.00 6.41 0.15 -0.62 -4.92 113.70 118.53 1t9a s SER 128 Ca 0.54 2.36 0.22 0.00 0.70 0.00 0.00 55.95 59.77 1t9a s SER 128 Cb -0.28 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.43 1t9a s SER 128 CO 0.67 -0.46 1.09 -0.90 1.20 0.00 0.00 173.24 174.83 1t9a n ASP 129 N 0.55 2.15 0.20 5.45 5.75 -1.26 -4.35 116.55 125.03 1t9a n ASP 129 Ca 0.02 -1.57 0.05 0.00 -0.01 0.00 0.00 54.79 53.27 1t9a n ASP 129 Cb 0.45 0.40 0.42 0.00 -1.03 0.00 0.00 41.12 41.36 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 2.73 0.00 -2.37 0.11 1.79 -1.94 -3.47 116.57 113.43 1t9a h LYS 130 Ca 0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1t9a h LYS 130 Cb 0.77 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.35 1t9a h LYS 130 CO 0.00 0.32 0.50 -0.59 -1.08 0.00 0.00 179.45 178.60 1t9a s PHE 131 N -4.13 -0.09 0.21 -1.35 -0.12 -1.26 -4.69 117.98 106.55 1t9a s PHE 131 Ca -0.02 -0.23 -0.03 0.00 -0.05 0.00 0.00 56.93 56.59 1t9a s PHE 131 Cb 0.14 0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 43.13 1t9a s PHE 131 CO 0.70 -0.86 0.43 -0.80 -0.05 0.00 0.00 175.22 174.64 1t9a s ASN 132 N -3.01 6.43 -0.07 1.98 0.01 -0.57 -4.84 114.94 114.86 1t9a s ASN 132 Ca 0.14 0.53 0.05 0.00 -0.71 0.00 0.00 52.86 52.87 1t9a s ASN 132 Cb -0.02 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 1t9a s ASN 132 CO 0.03 -0.06 -0.24 0.12 -1.51 0.00 0.00 177.10 175.44 1t9a s PHE 133 N -1.87 2.49 -0.18 2.20 5.36 -1.26 -0.64 117.98 124.08 1t9a s PHE 133 Ca 0.41 -0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 55.56 1t9a s PHE 133 Cb -0.11 -1.64 -0.00 0.00 -0.34 0.00 0.00 43.02 40.92 1t9a s PHE 133 CO 0.28 -0.27 -0.12 0.08 -1.46 0.00 0.00 175.22 173.73 1t9a s VAL 134 N -0.01 2.87 -0.23 3.12 1.01 -0.20 -4.96 120.40 122.00 1t9a s VAL 134 Ca -0.08 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1t9a s VAL 134 Cb -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1t9a s VAL 134 CO 0.05 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 175.44 1t9a s LEU 135 N 1.04 3.21 0.00 3.92 2.96 -1.26 -2.27 118.68 126.29 1t9a s LEU 135 Ca -0.01 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1t9a s LEU 135 Cb -0.15 -1.84 0.08 0.00 0.50 0.00 0.00 46.19 44.78 1t9a s LEU 135 CO -0.02 -0.02 0.60 -0.81 -1.32 0.00 0.00 176.35 174.78 1t9a n PRO 136 N 4.83 0.37 0.01 0.98 -0.04 -1.26 -4.83 135.00 135.06 1t9a n PRO 136 Ca -0.17 -1.87 0.11 0.00 -0.04 0.00 0.00 63.50 61.53 1t9a n PRO 136 Cb 0.51 -0.33 -0.08 0.00 -0.04 0.00 0.00 33.50 33.56 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 -2.06 0.39 -3.81 0.54 4.76 -1.26 -4.93 118.16 111.78 1t9a n LYS 137 Ca 0.11 -0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.36 1t9a n LYS 137 Cb 0.39 -1.56 -0.11 0.00 -1.84 0.00 0.00 35.03 31.90 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 -3.29 -0.18 0.55 2.13 2.46 -1.26 -5.05 115.29 110.65 1t9a s HIS 138 Ca -0.00 0.42 0.23 0.00 0.47 0.00 0.00 55.06 56.18 1t9a s HIS 138 Cb 0.14 0.06 1.55 0.00 -0.13 0.00 0.00 32.58 34.20 1t9a s HIS 138 CO 0.85 -0.18 2.19 0.93 -2.47 0.00 0.00 174.74 176.06 1t9a h GLU 139 N 5.26 0.00 -0.72 2.88 3.07 -1.91 0.36 114.58 123.51 1t9a h GLU 139 Ca -0.27 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1t9a h GLU 139 Cb 1.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 1t9a h GLU 139 CO 0.38 0.02 0.36 0.37 -1.40 0.00 0.00 179.01 178.74 1t9a h GLN 140 N 0.00 1.02 -0.46 2.33 4.15 -1.93 -1.16 115.11 119.05 1t9a h GLN 140 Ca -0.00 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1t9a h GLN 140 Cb 0.04 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1t9a h GLN 140 CO 0.00 0.77 0.28 0.78 -1.93 0.00 0.00 178.83 178.73 1t9a h GLY 141 N 1.07 0.67 0.69 2.39 0.00 -1.27 -1.44 103.07 105.17 1t9a h GLY 141 Ca 0.25 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1t9a h GLY 141 CO -0.04 0.27 0.05 0.00 0.00 0.00 0.00 176.54 176.82 1t9a h ALA 142 N 1.13 0.27 -0.30 3.60 0.00 -1.09 0.24 119.26 123.11 1t9a h ALA 142 Ca 0.17 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1t9a h ALA 142 Cb -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1t9a h ALA 142 CO -0.03 -0.37 0.10 0.78 0.00 0.00 0.00 179.25 179.73 1t9a h GLY 143 N 0.15 0.37 1.94 0.00 0.00 -0.91 -0.07 103.07 104.56 1t9a h GLY 143 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1t9a h GLY 143 CO -0.17 0.03 -0.51 0.45 0.00 0.00 0.00 176.54 176.34 1t9a h HIS 144 N 0.23 0.07 -0.44 5.60 3.86 -0.97 -1.91 115.15 121.60 1t9a h HIS 144 Ca 0.13 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.21 1t9a h HIS 144 Cb 0.11 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1t9a h HIS 144 CO -0.14 0.56 -0.17 0.52 0.86 0.00 0.00 177.93 179.56 1t9a h MET 145 N 0.05 0.85 -0.04 2.45 2.86 -0.00 -1.32 114.93 119.78 1t9a h MET 145 Ca -0.00 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.20 1t9a h MET 145 Cb 0.92 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1t9a h MET 145 CO 0.07 0.95 -0.52 0.00 1.06 0.00 0.00 176.91 178.48 1t9a h ALA 146 N 1.06 1.05 -0.24 6.32 0.00 -0.72 -1.39 119.26 125.34 1t9a h ALA 146 Ca 0.11 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1t9a h ALA 146 Cb 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1t9a h ALA 146 CO 0.05 0.66 -0.22 0.93 0.00 0.00 0.00 179.25 180.67 1t9a h GLU 147 N 0.09 0.57 -0.52 0.00 5.08 -1.00 -0.82 114.58 117.99 1t9a h GLU 147 Ca 0.00 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1t9a h GLU 147 Cb 0.95 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1t9a h GLU 147 CO 0.07 0.89 0.30 0.78 -1.00 0.00 0.00 179.01 180.05 1t9a h GLY 148 N 0.27 0.76 0.74 -3.84 0.00 -1.13 -0.14 103.07 99.74 1t9a h GLY 148 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1t9a h GLY 148 CO 0.06 0.31 0.12 -1.82 0.00 0.00 0.00 176.54 175.21 1t9a h TYR 149 N 0.69 0.22 -0.43 5.60 3.20 -1.17 -2.12 116.97 122.96 1t9a h TYR 149 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1t9a h TYR 149 Cb 0.01 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1t9a h TYR 149 CO -0.02 0.10 0.20 0.00 -1.64 0.00 0.00 178.16 176.79 1t9a h ALA 150 N 1.20 0.55 -0.62 1.82 0.00 -0.77 -0.82 119.26 120.63 1t9a h ALA 150 Ca 0.15 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1t9a h ALA 150 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1t9a h ALA 150 CO -0.14 0.13 0.41 0.00 0.00 0.00 0.00 179.25 179.64 1t9a h ARG 151 N 0.55 0.71 0.00 0.00 2.47 -0.69 -0.21 114.38 117.21 1t9a h ARG 151 Ca 0.15 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.66 1t9a h ARG 151 Cb 0.14 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 1t9a h ARG 151 CO -0.02 0.47 -1.63 0.00 0.56 0.00 0.00 179.97 179.35 1t9a n ALA 152 N -2.46 2.04 -0.09 0.04 0.00 -0.83 -4.49 120.51 114.72 1t9a n ALA 152 Ca 0.07 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 1t9a n ALA 152 Cb 0.13 -0.81 -0.16 0.00 0.00 0.00 0.00 19.45 18.61 1t9a n ALA 152 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t9a n SER 153 N -2.76 0.06 0.00 0.00 3.41 -0.33 -4.93 113.62 109.08 1t9a n SER 153 Ca -0.12 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1t9a n SER 153 Cb 0.83 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 1.73 0.97 3.94 5.00 0.00 -0.10 -5.04 105.19 111.69 1t9a n GLY 154 Ca -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.52 3.48 0.43 1.61 1.02 -1.26 -5.05 119.74 119.46 1t9a s LYS 155 Ca 0.00 -0.48 -0.24 0.00 0.02 0.00 0.00 55.97 55.27 1t9a s LYS 155 Cb 0.00 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.37 1t9a s LYS 155 CO 0.00 0.41 1.19 -1.25 -0.92 0.00 0.00 175.35 174.78 1t9a s PRO 156 N -3.52 3.86 -0.11 -1.68 0.04 -1.26 -4.11 135.00 128.22 1t9a s PRO 156 Ca 0.37 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 1t9a s PRO 156 Cb -0.11 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.86 1t9a s PRO 156 CO 0.30 -0.49 0.66 0.20 0.04 0.00 0.00 177.00 177.71 1t9a s GLY 157 N -1.18 2.41 -0.22 0.56 0.00 -0.50 -4.86 107.32 103.53 1t9a s GLY 157 Ca 0.61 -0.02 -0.07 0.00 0.00 0.00 0.00 44.72 45.23 1t9a s GLY 157 CO 0.38 1.19 0.07 0.14 0.00 0.00 0.00 173.10 174.88 1t9a s VAL 158 N 1.15 4.57 -0.07 1.40 1.01 -1.26 -0.74 120.40 126.46 1t9a s VAL 158 Ca 0.34 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.25 1t9a s VAL 158 Cb -0.17 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1t9a s VAL 158 CO 0.14 0.39 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 1t9a s VAL 159 N 1.01 2.72 -0.26 2.92 1.01 -0.54 -0.67 120.40 126.58 1t9a s VAL 159 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1t9a s VAL 159 Cb -0.14 -2.06 0.08 0.00 0.00 0.00 0.00 36.38 34.27 1t9a s VAL 159 CO 0.03 0.57 0.07 -0.22 0.00 0.00 0.00 175.10 175.55 1t9a s LEU 160 N -0.34 1.79 0.35 3.92 2.96 -0.06 0.20 118.68 127.51 1t9a s LEU 160 Ca 0.03 -1.31 0.04 0.00 -0.22 0.00 0.00 54.13 52.67 1t9a s LEU 160 Cb -0.12 -0.76 -0.06 0.00 0.50 0.00 0.00 46.19 45.75 1t9a s LEU 160 CO 0.02 -0.37 0.06 0.68 -1.32 0.00 0.00 176.35 175.42 1t9a s VAL 161 N 1.72 1.21 0.62 1.68 -7.23 -0.27 -1.86 120.40 116.27 1t9a s VAL 161 Ca 0.05 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1t9a s VAL 161 Cb -0.17 -2.73 0.13 0.00 0.56 0.00 0.00 36.38 34.17 1t9a s VAL 161 CO -0.19 0.00 0.85 1.07 -0.31 0.00 0.00 175.10 176.52 1t9a n THR 162 N -0.77 0.00 -1.46 5.32 5.66 -1.24 -0.31 114.28 121.48 1t9a n THR 162 Ca -0.04 -1.02 -0.27 0.00 -3.05 0.00 0.00 64.05 59.68 1t9a n THR 162 Cb 0.66 -1.25 0.20 0.00 -1.55 0.00 0.00 70.33 68.40 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 -3.21 -0.85 0.00 1.09 3.41 -0.79 -2.24 113.62 111.03 1t9a n SER 163 Ca 0.12 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1t9a n SER 163 Cb 0.44 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.41 3.04 0.29 5.00 0.00 -0.45 -1.90 105.19 107.76 1t9a n GLY 164 Ca 0.14 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 0.20 -0.69 1.61 0.13 -1.88 -0.75 132.00 130.63 1t9a h PRO 165 Ca 0.00 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1t9a h PRO 165 Cb 0.00 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.05 1t9a h PRO 165 CO 0.00 0.13 0.25 0.78 -0.23 0.00 0.00 178.00 178.94 1t9a h GLY 166 N 0.21 1.13 0.61 1.56 0.00 -1.53 -0.81 103.07 104.24 1t9a h GLY 166 Ca 0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1t9a h GLY 166 CO -0.02 0.60 -0.23 0.00 0.00 0.00 0.00 176.54 176.89 1t9a h ALA 167 N 1.11 0.11 0.00 3.60 0.00 -0.82 -3.25 119.26 120.01 1t9a h ALA 167 Ca 0.23 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1t9a h ALA 167 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1t9a h ALA 167 CO -0.01 0.10 -0.23 1.79 0.00 0.00 0.00 179.25 180.89 1t9a h THR 168 N -0.26 0.88 0.00 0.00 1.35 -1.14 -2.10 112.91 111.64 1t9a h THR 168 Ca -0.01 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1t9a h THR 168 Cb 0.87 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1t9a h THR 168 CO 0.05 0.23 0.00 0.59 -0.25 0.00 0.00 175.52 176.14 1t9a n ASN 169 N -3.85 0.00 -0.88 5.36 3.02 -0.31 -2.29 115.26 116.31 1t9a n ASN 169 Ca -0.02 0.47 0.10 0.00 -0.03 0.00 0.00 54.58 55.10 1t9a n ASN 169 Cb 0.32 -0.49 0.13 0.00 -0.61 0.00 0.00 39.78 39.14 1t9a n ASN 169 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1t9a n VAL 170 N -1.49 0.26 -0.21 2.41 0.31 -0.79 -3.32 118.33 115.51 1t9a n VAL 170 Ca 0.04 -0.63 -0.06 0.00 -0.01 0.00 0.00 64.34 63.68 1t9a n VAL 170 Cb 0.18 1.17 0.04 0.00 -0.91 0.00 0.00 33.84 34.32 1t9a n VAL 170 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1t9a h VAL 171 N 3.79 1.16 -0.21 2.52 2.07 -1.52 -2.43 116.25 121.63 1t9a h VAL 171 Ca 0.00 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1t9a h VAL 171 Cb 0.84 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1t9a h VAL 171 CO 0.00 0.16 0.13 0.74 0.02 0.00 0.00 177.57 178.62 1t9a h THR 172 N 0.81 1.08 -0.73 2.57 2.02 -1.81 -0.13 112.91 116.71 1t9a h THR 172 Ca 0.22 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1t9a h THR 172 Cb -0.07 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1t9a h THR 172 CO -0.04 0.08 0.49 -0.65 0.37 0.00 0.00 175.52 175.76 1t9a h PRO 173 N 0.26 0.94 -0.24 6.66 0.11 -1.83 0.14 132.00 138.04 1t9a h PRO 173 Ca 0.08 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 1t9a h PRO 173 Cb 0.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1t9a h PRO 173 CO -0.01 0.62 -0.13 0.52 -0.21 0.00 0.00 178.00 178.78 1t9a h MET 174 N 0.97 0.51 -0.57 1.05 2.86 -1.07 0.11 114.93 118.79 1t9a h MET 174 Ca 0.27 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1t9a h MET 174 Cb -0.07 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1t9a h MET 174 CO -0.07 0.78 0.27 0.00 1.06 0.00 0.00 176.91 178.96 1t9a h ALA 175 N 0.71 1.41 -0.20 6.32 0.00 -0.56 0.12 119.26 127.06 1t9a h ALA 175 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1t9a h ALA 175 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1t9a h ALA 175 CO 0.04 0.46 -0.22 0.22 0.00 0.00 0.00 179.25 179.75 1t9a h ASP 176 N 0.79 0.53 0.37 0.00 1.82 -0.52 -2.09 116.42 117.33 1t9a h ASP 176 Ca 0.20 -0.49 -0.07 0.00 -0.39 0.00 0.00 57.03 56.27 1t9a h ASP 176 Cb 0.09 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1t9a h ASP 176 CO -0.03 0.92 -0.35 0.00 -1.61 0.00 0.00 179.24 178.17 1t9a h ALA 177 N 0.63 1.39 -0.36 -0.78 0.00 -0.40 -2.23 119.26 117.50 1t9a h ALA 177 Ca 0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1t9a h ALA 177 Cb 0.78 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1t9a h ALA 177 CO 0.05 0.43 -0.39 0.35 0.00 0.00 0.00 179.25 179.70 1t9a h PHE 178 N 0.00 1.09 -0.32 0.00 3.57 -0.66 0.74 116.94 121.36 1t9a h PHE 178 Ca -0.00 -0.33 -0.11 0.00 3.53 0.00 0.00 57.97 61.05 1t9a h PHE 178 Cb 0.63 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1t9a h PHE 178 CO 0.00 1.15 -0.24 0.00 -2.23 0.00 0.00 178.31 176.99 1t9a h ALA 179 N 0.75 0.46 -0.33 2.41 0.00 -1.04 -3.21 119.26 118.30 1t9a h ALA 179 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1t9a h ALA 179 Cb 0.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1t9a h ALA 179 CO 0.09 0.44 0.00 -0.25 0.00 0.00 0.00 179.25 179.54 1t9a n ASP 180 N -4.28 2.49 -3.27 0.00 8.00 -0.87 -4.71 116.55 113.91 1t9a n ASP 180 Ca -0.03 -1.88 -0.15 0.00 0.71 0.00 0.00 54.79 53.43 1t9a n ASP 180 Cb 0.45 -0.22 0.08 0.00 -0.02 0.00 0.00 41.12 41.41 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 1.29 -0.79 3.54 0.44 0.00 -0.40 -5.02 105.19 104.26 1t9a n GLY 181 Ca 0.17 0.37 -0.34 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.37 4.20 -0.05 -0.61 1.01 0.12 -4.35 121.20 118.15 1t9a s ILE 182 Ca 0.26 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 1t9a s ILE 182 Cb -0.03 -2.86 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 1t9a s ILE 182 CO 0.72 0.48 1.68 -2.16 0.00 0.00 0.00 174.94 175.65 1t9a s PRO 183 N 0.38 4.18 -0.19 2.79 0.04 -1.26 -3.01 135.00 137.93 1t9a s PRO 183 Ca -0.02 2.22 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 1t9a s PRO 183 Cb -0.14 -4.00 0.06 0.00 0.04 0.00 0.00 34.50 30.46 1t9a s PRO 183 CO 0.02 -0.85 0.47 1.41 0.04 0.00 0.00 177.00 178.09 1t9a s MET 184 N 4.07 0.51 -0.29 4.56 1.75 -1.01 -1.41 119.30 127.48 1t9a s MET 184 Ca 0.74 0.78 0.01 0.00 -1.25 0.00 0.00 55.69 55.98 1t9a s MET 184 Cb -0.34 0.13 0.06 0.00 2.84 0.00 0.00 34.83 37.53 1t9a s MET 184 CO 0.30 -0.11 -0.04 0.08 -0.65 0.00 0.00 175.02 174.60 1t9a s VAL 185 N 0.89 2.51 -0.27 10.11 1.01 0.08 -0.52 120.40 134.21 1t9a s VAL 185 Ca -0.05 -1.64 -0.13 0.00 0.00 0.00 0.00 61.98 60.16 1t9a s VAL 185 Cb -0.06 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1t9a s VAL 185 CO -0.07 -0.14 0.30 -0.69 0.00 0.00 0.00 175.10 174.49 1t9a s VAL 186 N 1.14 5.23 -0.24 2.92 1.01 0.30 -1.47 120.40 129.28 1t9a s VAL 186 Ca -0.05 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 1t9a s VAL 186 Cb -0.20 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1t9a s VAL 186 CO -0.04 0.19 0.08 -0.36 0.00 0.00 0.00 175.10 174.97 1t9a s PHE 187 N 1.94 3.11 -0.11 5.22 0.40 0.13 -0.64 117.98 128.04 1t9a s PHE 187 Ca 0.12 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 1t9a s PHE 187 Cb -0.16 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.15 1t9a s PHE 187 CO 0.10 -0.27 -0.23 0.95 0.70 0.00 0.00 175.22 176.48 1t9a s THR 188 N 1.44 2.14 0.62 0.64 -4.23 -0.91 -1.11 115.64 114.24 1t9a s THR 188 Ca 0.06 -0.98 -0.17 0.00 -1.18 0.00 0.00 61.69 59.42 1t9a s THR 188 Cb -0.15 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 1t9a s THR 188 CO 0.04 0.55 1.13 -0.83 -0.54 0.00 0.00 174.62 174.98 1t9a s GLY 189 N 0.45 2.37 0.04 3.99 0.00 0.58 -0.37 107.32 114.38 1t9a s GLY 189 Ca -0.16 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1t9a s GLY 189 CO 0.06 1.07 -0.04 1.62 0.00 0.00 0.00 173.10 175.81 1t9a s GLN 190 N -3.76 0.47 0.86 2.90 2.00 -0.16 -1.89 119.66 120.09 1t9a s GLN 190 Ca 0.70 -0.88 -0.11 0.00 -2.00 0.00 0.00 55.36 53.07 1t9a s GLN 190 Cb -0.23 0.06 0.12 0.00 0.80 0.00 0.00 33.01 33.75 1t9a s GLN 190 CO 0.36 -0.05 1.16 0.14 -0.50 0.00 0.00 175.29 176.40 1t9a s VAL 191 N -2.38 2.21 0.41 1.34 -7.23 -1.26 -0.10 120.40 113.38 1t9a s VAL 191 Ca -0.06 0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 59.93 1t9a s VAL 191 Cb -0.03 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.54 1t9a s VAL 191 CO -0.04 -0.08 1.24 -0.81 -0.31 0.00 0.00 175.10 175.10 1t9a n PRO 192 N -3.85 1.87 -0.13 4.82 -0.04 -1.26 -3.90 135.00 132.52 1t9a n PRO 192 Ca 0.12 0.67 0.27 0.00 -0.04 0.00 0.00 63.50 64.52 1t9a n PRO 192 Cb 0.52 -2.32 0.72 0.00 -0.04 0.00 0.00 33.50 32.37 1t9a n PRO 192 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1t9a h THR 193 N 2.08 0.44 0.00 0.52 1.35 -1.91 0.65 112.91 116.04 1t9a h THR 193 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1t9a h THR 193 Cb 1.30 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1t9a h THR 193 CO 0.60 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.33 1t9a n SER 194 N -4.02 0.00 -0.00 5.36 3.41 -1.26 -3.06 113.62 114.05 1t9a n SER 194 Ca 0.17 -0.63 0.03 0.00 -0.26 0.00 0.00 58.87 58.17 1t9a n SER 194 Cb 0.96 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.77 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 -1.10 2.36 -1.73 7.33 0.00 0.22 -5.01 120.51 122.59 1t9a n ALA 195 Ca 0.19 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1t9a n ALA 195 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.48 0.84 -0.81 0.00 5.41 -0.99 -2.22 119.36 120.12 1t9a n ILE 196 Ca -0.00 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1t9a n ILE 196 Cb 0.11 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 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 2.46 0.57 0.27 7.39 0.00 -1.26 -4.91 105.19 109.71 1t9a n GLY 197 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.81 1.19 -3.45 2.61 -2.24 -0.94 -4.95 114.28 103.68 1t9a n THR 198 Ca 0.00 -1.20 -0.20 0.00 -2.27 0.00 0.00 64.05 60.38 1t9a n THR 198 Cb 0.00 0.37 0.08 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.28 -4.88 -4.69 3.42 8.00 -1.26 -4.96 116.55 111.90 1t9a n ASP 199 Ca 0.07 -0.52 -0.30 0.00 0.71 0.00 0.00 54.79 54.75 1t9a n ASP 199 Cb 0.39 -4.70 0.15 0.00 -0.02 0.00 0.00 41.12 36.94 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 -3.31 1.43 0.02 2.24 0.00 -1.26 -4.91 121.76 115.97 1t9a s ALA 200 Ca 0.38 0.09 -0.34 0.00 0.00 0.00 0.00 51.96 52.10 1t9a s ALA 200 Cb -0.17 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 1t9a s ALA 200 CO 0.67 -2.49 1.77 0.34 0.00 0.00 0.00 175.76 176.05 1t9a n PHE 201 N -4.00 2.33 -2.86 0.00 7.35 -1.26 -1.85 117.46 117.19 1t9a n PHE 201 Ca 0.08 0.08 -0.21 0.00 -0.76 0.00 0.00 57.45 56.63 1t9a n PHE 201 Cb 0.54 -2.63 0.01 0.00 0.35 0.00 0.00 39.48 37.76 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 5.38 -3.62 -3.69 -4.13 6.02 -1.26 -4.89 117.38 111.18 1t9a n GLN 202 Ca 0.20 0.84 -0.36 0.00 -0.01 0.00 0.00 57.00 57.67 1t9a n GLN 202 Cb 0.30 -5.61 -0.06 0.00 1.02 0.00 0.00 30.24 25.90 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 -5.52 3.66 -0.06 -1.09 2.12 -0.77 -1.34 118.70 115.71 1t9a s GLU 203 Ca 0.21 0.07 -0.15 0.00 0.36 0.00 0.00 54.97 55.46 1t9a s GLU 203 Cb -0.10 -3.12 0.03 0.00 0.26 0.00 0.00 34.13 31.20 1t9a s GLU 203 CO 0.26 0.67 0.36 0.00 -0.54 0.00 0.00 175.26 176.01 1t9a s ALA 204 N -1.21 -0.91 -1.38 6.30 0.00 -1.26 -4.77 121.76 118.53 1t9a s ALA 204 Ca 0.25 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 1t9a s ALA 204 Cb -0.14 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 22.88 1t9a s ALA 204 CO 0.13 -0.24 1.98 -3.47 0.00 0.00 0.00 175.76 174.16 1t9a n ASP 205 N 1.78 4.42 -0.20 0.00 -0.08 -1.26 -4.73 116.55 116.48 1t9a n ASP 205 Ca -0.19 -2.89 -0.05 0.00 -1.51 0.00 0.00 54.79 50.16 1t9a n ASP 205 Cb 0.56 -1.69 0.12 0.00 2.34 0.00 0.00 41.12 42.46 1t9a n ASP 205 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1t9a h VAL 206 N 4.67 1.25 -0.78 5.18 2.07 -1.98 -0.84 116.25 125.81 1t9a h VAL 206 Ca 0.50 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1t9a h VAL 206 Cb 0.74 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1t9a h VAL 206 CO 1.67 0.34 0.37 0.58 0.02 0.00 0.00 177.57 180.55 1t9a h VAL 207 N 0.96 1.25 -0.08 2.57 2.07 -1.94 -1.06 116.25 120.01 1t9a h VAL 207 Ca 0.21 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1t9a h VAL 207 Cb 0.32 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1t9a h VAL 207 CO -0.00 0.30 -0.16 1.23 0.02 0.00 0.00 177.57 178.96 1t9a h GLY 208 N 1.15 0.26 0.73 2.17 0.00 -1.87 -2.74 103.07 102.77 1t9a h GLY 208 Ca 0.27 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.34 1t9a h GLY 208 CO -0.03 0.28 0.34 -2.22 0.00 0.00 0.00 176.54 174.91 1t9a h ILE 209 N -0.24 0.99 -0.18 2.60 2.04 -0.99 -2.87 117.51 118.85 1t9a h ILE 209 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1t9a h ILE 209 Cb 0.74 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1t9a h ILE 209 CO 0.03 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 176.76 1t9a n SER 210 N -4.80 1.63 -0.11 1.72 3.41 -0.42 -4.39 113.62 110.67 1t9a n SER 210 Ca 0.07 -1.73 -0.06 0.00 -0.26 0.00 0.00 58.87 56.89 1t9a n SER 210 Cb 0.15 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1t9a n SER 210 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1t9a h ARG 211 N 2.11 0.22 0.00 4.33 3.08 -1.24 -2.42 114.38 120.45 1t9a h ARG 211 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1t9a h ARG 211 Cb 0.47 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1t9a h ARG 211 CO 0.00 0.14 0.00 0.66 -1.07 0.00 0.00 179.97 179.70 1t9a h SER 212 N 0.22 0.00 -0.20 7.04 4.64 -1.81 -3.26 113.55 120.18 1t9a h SER 212 Ca 0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 1t9a h SER 212 Cb 0.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 1t9a h SER 212 CO -0.21 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.51 1t9a s THR 214 N -3.23 0.02 0.42 0.00 -4.23 -1.04 -4.24 115.64 103.35 1t9a s THR 214 Ca 0.42 -0.18 0.14 0.00 -1.18 0.00 0.00 61.69 60.88 1t9a s THR 214 Cb 0.39 -0.37 0.15 0.00 1.34 0.00 0.00 72.50 74.01 1t9a s THR 214 CO -0.03 -0.10 1.94 0.11 -0.54 0.00 0.00 174.62 176.00 1t9a h LYS 215 N 5.30 0.01 -1.55 3.99 1.57 -1.16 -3.45 116.57 121.28 1t9a h LYS 215 Ca -0.27 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1t9a h LYS 215 Cb 1.19 -0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.26 1t9a h LYS 215 CO 0.38 0.25 0.54 -0.46 -0.57 0.00 0.00 179.45 179.59 1t9a s TRP 216 N -4.51 -0.38 0.20 -1.35 -0.00 -1.26 -5.08 118.94 106.56 1t9a s TRP 216 Ca -0.04 0.73 -0.10 0.00 -0.00 0.00 0.00 56.10 56.70 1t9a s TRP 216 Cb 0.15 0.43 -0.01 0.00 -0.00 0.00 0.00 33.47 34.04 1t9a s TRP 216 CO 0.71 -0.30 0.34 0.54 -0.00 0.00 0.00 176.95 178.23 1t9a s ASN 217 N -0.76 -0.00 0.07 5.86 2.20 -1.26 -2.09 114.94 118.95 1t9a s ASN 217 Ca -0.00 -0.93 -0.27 0.00 -0.94 0.00 0.00 52.86 50.72 1t9a s ASN 217 Cb -0.02 0.48 0.08 0.00 -2.00 0.00 0.00 41.25 39.80 1t9a s ASN 217 CO -0.01 -0.97 0.88 0.54 -2.94 0.00 0.00 177.10 174.60 1t9a s VAL 218 N -4.00 0.00 -0.19 3.54 0.11 -0.57 -4.96 120.40 114.33 1t9a s VAL 218 Ca 0.21 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1t9a s VAL 218 Cb 0.02 -1.38 0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1t9a s VAL 218 CO 0.04 0.00 -0.17 -0.32 -3.33 0.00 0.00 175.10 171.32 1t9a s MET 219 N -3.26 2.74 -0.18 1.54 1.75 -1.26 -0.19 119.30 120.44 1t9a s MET 219 Ca 0.07 -0.88 -0.29 0.00 -1.25 0.00 0.00 55.69 53.34 1t9a s MET 219 Cb -0.01 -2.56 -0.03 0.00 2.84 0.00 0.00 34.83 35.06 1t9a s MET 219 CO -0.05 -0.28 1.58 0.08 -0.65 0.00 0.00 175.02 175.70 1t9a s VAL 220 N 1.29 3.74 -0.48 10.11 1.01 -0.49 -4.89 120.40 130.68 1t9a s VAL 220 Ca 0.02 0.86 0.24 0.00 0.00 0.00 0.00 61.98 63.10 1t9a s VAL 220 Cb -0.14 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.65 1t9a s VAL 220 CO -0.11 -0.22 1.31 0.11 0.00 0.00 0.00 175.10 176.19 1t9a h LYS 221 N 10.14 0.00 -2.63 2.72 6.56 -1.96 -3.38 116.57 128.01 1t9a h LYS 221 Ca -0.34 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.18 1t9a h LYS 221 Cb 1.15 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.63 1t9a h LYS 221 CO 0.99 0.00 0.00 -1.54 -2.06 0.00 0.00 179.45 176.84 1t9a s SER 222 N -4.93 -0.43 0.54 0.86 1.04 -1.26 -4.96 113.70 104.56 1t9a s SER 222 Ca 0.04 0.29 0.24 0.00 0.48 0.00 0.00 55.95 57.01 1t9a s SER 222 Cb 0.11 0.46 1.53 0.00 0.10 0.00 0.00 66.02 68.21 1t9a s SER 222 CO 0.73 -0.63 2.16 1.62 0.98 0.00 0.00 173.24 178.10 1t9a h VAL 223 N 3.09 0.71 -0.85 5.02 3.04 -1.93 -2.23 116.25 123.11 1t9a h VAL 223 Ca -0.30 -0.20 0.03 0.00 -1.01 0.00 0.00 66.70 65.23 1t9a h VAL 223 Cb 1.18 1.12 -0.05 0.00 -2.01 0.00 0.00 31.29 31.53 1t9a h VAL 223 CO 0.41 0.05 0.56 -0.33 -1.01 0.00 0.00 177.57 177.25 1t9a h GLU 224 N 0.00 1.04 -0.13 4.17 3.07 -1.95 -2.37 114.58 118.41 1t9a h GLU 224 Ca -0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1t9a h GLU 224 Cb 0.11 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1t9a h GLU 224 CO 0.01 0.69 0.00 -0.85 -1.40 0.00 0.00 179.01 177.45 1t9a n GLU 225 N -4.44 1.95 -0.03 2.33 0.28 -0.85 -4.42 120.64 115.47 1t9a n GLU 225 Ca 0.11 -1.41 -0.10 0.00 -0.16 0.00 0.00 57.16 55.60 1t9a n GLU 225 Cb 0.10 -1.45 -0.04 0.00 1.43 0.00 0.00 31.44 31.48 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 3.11 0.17 -0.76 -1.84 5.85 -1.34 -1.06 115.31 119.44 1t9a h LEU 226 Ca 0.00 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1t9a h LEU 226 Cb 0.67 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1t9a h LEU 226 CO 0.00 0.13 0.49 -0.65 -0.34 0.00 0.00 178.44 178.07 1t9a h PRO 227 N 0.21 0.96 0.49 5.25 0.11 -1.77 -1.70 132.00 135.56 1t9a h PRO 227 Ca 0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1t9a h PRO 227 Cb -0.02 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1t9a h PRO 227 CO -0.02 0.64 -0.32 1.25 -0.21 0.00 0.00 178.00 179.34 1t9a h LEU 228 N 0.99 -0.81 -0.87 2.35 5.85 -1.14 -1.86 115.31 119.82 1t9a h LEU 228 Ca 0.29 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.12 1t9a h LEU 228 Cb -0.07 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1t9a h LEU 228 CO -0.08 -0.50 0.54 0.03 -0.34 0.00 0.00 178.44 178.10 1t9a h ARG 229 N -0.78 0.96 -0.59 1.25 2.47 -1.05 -0.82 114.38 115.82 1t9a h ARG 229 Ca -0.06 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1t9a h ARG 229 Cb 0.65 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 1t9a h ARG 229 CO 0.05 0.63 0.32 0.82 0.56 0.00 0.00 179.97 182.35 1t9a h ILE 230 N 0.99 1.19 -0.71 2.04 2.04 -1.19 -0.69 117.51 121.18 1t9a h ILE 230 Ca 0.38 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1t9a h ILE 230 Cb 0.17 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1t9a h ILE 230 CO -0.17 0.21 0.17 0.78 0.00 0.00 0.00 178.15 179.14 1t9a h ASN 231 N 0.81 1.08 -0.52 1.72 2.35 -0.52 -2.37 115.58 118.14 1t9a h ASN 231 Ca 0.21 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1t9a h ASN 231 Cb 0.05 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1t9a h ASN 231 CO -0.03 1.04 0.09 -0.33 -1.65 0.00 0.00 177.43 176.55 1t9a h GLU 232 N 1.08 0.85 0.11 0.81 5.08 -0.90 -1.90 114.58 119.71 1t9a h GLU 232 Ca 0.22 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1t9a h GLU 232 Cb 0.38 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1t9a h GLU 232 CO 0.00 0.83 -0.22 0.00 -1.00 0.00 0.00 179.01 178.63 1t9a h ALA 233 N 0.98 -0.36 -0.76 3.43 0.00 -0.89 0.12 119.26 121.78 1t9a h ALA 233 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1t9a h ALA 233 Cb 0.39 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1t9a h ALA 233 CO 0.01 -0.75 0.26 0.74 0.00 0.00 0.00 179.25 179.51 1t9a h PHE 234 N -0.41 1.19 0.01 0.00 -1.00 -1.41 0.42 116.94 115.75 1t9a h PHE 234 Ca 0.03 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 1t9a h PHE 234 Cb 0.43 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1t9a h PHE 234 CO -0.21 0.93 -0.01 1.49 -1.61 0.00 0.00 178.31 178.90 1t9a h GLU 235 N 1.11 -0.02 -0.54 1.51 4.81 -1.04 -2.21 114.58 118.20 1t9a h GLU 235 Ca 0.25 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1t9a h GLU 235 Cb 0.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1t9a h GLU 235 CO -0.01 0.07 0.23 0.82 -0.73 0.00 0.00 179.01 179.38 1t9a h ILE 236 N -0.10 1.22 0.00 2.32 2.04 -0.60 -1.48 117.51 120.91 1t9a h ILE 236 Ca -0.00 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1t9a h ILE 236 Cb 0.09 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1t9a h ILE 236 CO 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 178.15 178.31 1t9a h ALA 237 N 1.07 1.49 -0.01 1.87 0.00 -0.81 -3.07 119.26 119.80 1t9a h ALA 237 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1t9a h ALA 237 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1t9a h ALA 237 CO -0.02 0.13 -0.46 0.25 0.00 0.00 0.00 179.25 179.15 1t9a n THR 238 N -3.92 0.00 -2.98 0.00 -2.24 -0.84 -2.05 114.28 102.25 1t9a n THR 238 Ca -0.02 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.30 1t9a n THR 238 Cb 0.19 1.15 0.03 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.10 5.45 1.02 3.42 1.04 -0.58 -4.72 113.70 117.23 1t9a s SER 239 Ca 0.12 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1t9a s SER 239 Cb 0.13 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1t9a s SER 239 CO 0.48 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1t9a n GLY 240 N -2.02 3.11 3.60 7.32 0.00 -1.26 -3.53 105.19 112.40 1t9a n GLY 240 Ca 0.10 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 3.90 0.48 1.61 3.52 -1.26 -5.00 118.95 122.19 1t9a s ARG 241 Ca 0.00 0.27 -0.22 0.00 -0.13 0.00 0.00 55.73 55.66 1t9a s ARG 241 Cb 0.00 -3.73 -0.10 0.00 -1.56 0.00 0.00 34.95 29.57 1t9a s ARG 241 CO 0.00 -0.56 0.85 -2.30 -0.81 0.00 0.00 175.30 172.48 1t9a n PRO 242 N 5.84 1.00 -3.85 5.12 -0.02 -1.23 -4.94 135.00 136.92 1t9a n PRO 242 Ca -0.01 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.77 1t9a n PRO 242 Cb 0.49 -1.92 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.94 0.24 0.25 -1.23 0.00 -0.87 -3.35 107.32 101.42 1t9a s GLY 243 Ca 0.66 -0.54 -0.17 0.00 0.00 0.00 0.00 44.72 44.68 1t9a s GLY 243 CO 0.55 1.09 0.70 2.56 0.00 0.00 0.00 173.10 178.00 1t9a s PRO 244 N -2.24 4.11 0.07 2.90 0.04 -1.17 -2.39 135.00 136.32 1t9a s PRO 244 Ca 0.19 0.73 0.03 0.00 0.04 0.00 0.00 61.00 61.98 1t9a s PRO 244 Cb -0.04 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1t9a s PRO 244 CO 0.08 0.32 -0.08 0.14 0.04 0.00 0.00 177.00 177.50 1t9a s VAL 245 N -1.69 0.69 -0.03 -0.36 -7.23 0.32 -0.59 120.40 111.52 1t9a s VAL 245 Ca 0.46 -1.42 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 1t9a s VAL 245 Cb -0.14 -1.06 -0.00 0.00 0.56 0.00 0.00 36.38 35.74 1t9a s VAL 245 CO 0.20 -0.53 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.09 1t9a s LEU 246 N -2.14 1.89 -0.25 1.32 0.20 -0.89 -0.54 118.68 118.28 1t9a s LEU 246 Ca -0.01 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.54 1t9a s LEU 246 Cb -0.05 -0.79 0.06 0.00 -0.43 0.00 0.00 46.19 44.99 1t9a s LEU 246 CO -0.01 0.13 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.44 1t9a s VAL 247 N 0.01 1.66 -0.13 1.68 1.01 0.19 -1.51 120.40 123.31 1t9a s VAL 247 Ca -0.02 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 1t9a s VAL 247 Cb -0.09 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1t9a s VAL 247 CO 0.01 -0.14 1.00 -0.62 0.00 0.00 0.00 175.10 175.36 1t9a s ASP 248 N 1.32 7.21 -0.41 3.32 2.15 0.74 -2.14 116.67 128.86 1t9a s ASP 248 Ca -0.05 1.49 -0.01 0.00 0.43 0.00 0.00 52.55 54.41 1t9a s ASP 248 Cb -0.19 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 39.99 1t9a s ASP 248 CO -0.07 -0.48 0.18 -0.76 -0.17 0.00 0.00 175.17 173.87 1t9a s LEU 249 N 2.22 5.10 0.28 -1.34 1.43 0.51 -1.40 118.68 125.47 1t9a s LEU 249 Ca 0.47 -2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 51.13 1t9a s LEU 249 Cb -0.18 -1.77 -0.12 0.00 0.03 0.00 0.00 46.19 44.15 1t9a s LEU 249 CO 0.16 -0.48 1.58 -2.65 0.23 0.00 0.00 176.35 175.18 1t9a n PRO 250 N 4.40 2.61 -0.34 1.29 -0.02 -1.26 -0.99 135.00 140.69 1t9a n PRO 250 Ca 0.00 0.93 0.14 0.00 -2.02 0.00 0.00 63.50 62.55 1t9a n PRO 250 Cb 0.41 -2.70 0.35 0.00 -0.02 0.00 0.00 33.50 31.54 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 4.90 0.69 0.00 -0.52 3.64 -0.62 0.81 116.57 125.47 1t9a h LYS 251 Ca -0.46 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1t9a h LYS 251 Cb 1.23 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1t9a h LYS 251 CO 0.80 0.45 -0.04 0.38 -2.27 0.00 0.00 179.45 178.78 1t9a h ASP 252 N 0.71 0.00 0.15 4.20 2.03 -1.86 -2.14 116.42 119.51 1t9a h ASP 252 Ca 0.56 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.66 1t9a h ASP 252 Cb 0.95 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.47 1t9a h ASP 252 CO -0.34 0.04 -0.89 0.58 -1.03 0.00 0.00 179.24 177.60 1t9a h VAL 253 N 0.00 1.48 0.00 4.15 2.07 -1.21 -2.21 116.25 120.52 1t9a h VAL 253 Ca -0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.97 1t9a h VAL 253 Cb 0.64 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1t9a h VAL 253 CO 0.00 0.72 0.00 0.71 0.02 0.00 0.00 177.57 179.03 1t9a h THR 254 N -0.33 0.00 0.00 2.57 1.35 -1.38 -2.71 112.91 112.41 1t9a h THR 254 Ca -0.16 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 1t9a h THR 254 Cb 1.69 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1t9a h THR 254 CO 0.16 0.00 -1.25 0.00 -0.25 0.00 0.00 175.52 174.18 1t9a n ALA 255 N -1.99 2.57 -1.76 6.62 0.00 -0.81 -0.50 120.51 124.64 1t9a n ALA 255 Ca 0.02 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 1t9a n ALA 255 Cb 0.34 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.79 1t9a n ALA 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t9a s ALA 256 N -3.39 2.63 -0.19 0.00 0.00 -0.83 -4.65 121.76 115.33 1t9a s ALA 256 Ca -0.02 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1t9a s ALA 256 Cb 0.11 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1t9a s ALA 256 CO 0.82 -1.08 0.06 0.42 0.00 0.00 0.00 175.76 175.98 1t9a s ILE 257 N -1.58 4.68 -0.14 0.00 1.01 -1.26 -1.11 121.20 122.80 1t9a s ILE 257 Ca 0.75 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1t9a s ILE 257 Cb -0.30 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1t9a s ILE 257 CO 0.34 0.44 1.72 -0.22 0.00 0.00 0.00 174.94 177.21 1t9a s LEU 258 N 0.60 4.05 -0.22 2.97 2.96 0.44 -4.87 118.68 124.60 1t9a s LEU 258 Ca 0.03 1.95 -0.06 0.00 -0.22 0.00 0.00 54.13 55.83 1t9a s LEU 258 Cb -0.13 -3.53 -0.19 0.00 0.50 0.00 0.00 46.19 42.84 1t9a s LEU 258 CO 0.01 -1.19 -0.05 0.54 -1.32 0.00 0.00 176.35 174.34 1t9a n ARG 259 N 7.57 0.66 -3.69 1.98 5.12 -1.26 0.27 116.66 127.31 1t9a n ARG 259 Ca 0.19 0.24 -0.29 0.00 -1.93 0.00 0.00 57.85 56.07 1t9a n ARG 259 Cb 0.44 -1.59 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 1t9a n ARG 259 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1t9a s ASN 260 N -6.88 6.41 0.55 0.55 0.01 -1.26 -4.81 114.94 109.51 1t9a s ASN 260 Ca -0.32 0.45 -0.19 0.00 -0.71 0.00 0.00 52.86 52.09 1t9a s ASN 260 Cb 0.09 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.67 1t9a s ASN 260 CO 0.62 -0.01 1.10 -2.16 -1.51 0.00 0.00 177.10 175.14 1t9a s PRO 261 N -3.12 3.38 0.16 -0.60 0.04 -1.26 -4.82 135.00 128.78 1t9a s PRO 261 Ca 0.39 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1t9a s PRO 261 Cb -0.11 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1t9a s PRO 261 CO 0.28 -0.80 -0.18 0.96 0.04 0.00 0.00 177.00 177.29 1t9a s ILE 262 N -1.97 1.83 -0.01 0.56 -4.36 -0.27 -4.84 121.20 112.14 1t9a s ILE 262 Ca 0.70 -1.91 -0.37 0.00 -0.26 0.00 0.00 60.65 58.81 1t9a s ILE 262 Cb -0.21 -1.84 -0.15 0.00 1.25 0.00 0.00 42.46 41.51 1t9a s ILE 262 CO 0.28 -0.31 1.56 -2.65 0.24 0.00 0.00 174.94 174.06 1t9a n PRO 263 N 0.31 1.50 0.25 0.37 -0.02 -1.26 0.67 135.00 136.82 1t9a n PRO 263 Ca -0.13 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1t9a n PRO 263 Cb 0.57 -2.25 0.66 0.00 -0.02 0.00 0.00 33.50 32.45 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 4.11 0.78 0.00 3.45 2.02 0.23 -1.91 112.91 121.59 1t9a h THR 264 Ca -0.47 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 1t9a h THR 264 Cb 1.31 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1t9a h THR 264 CO 0.87 0.13 -0.13 0.11 0.37 0.00 0.00 175.52 176.87 1t9a h LYS 265 N 0.00 0.00 -0.63 6.66 6.56 -1.89 -2.15 116.57 125.12 1t9a h LYS 265 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1t9a h LYS 265 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1t9a h LYS 265 CO 0.02 0.13 0.00 0.25 -2.06 0.00 0.00 179.45 177.79 1t9a n THR 266 N -3.68 0.92 0.07 -0.16 -2.24 -0.72 -4.14 114.28 104.32 1t9a n THR 266 Ca -0.02 -0.86 0.02 0.00 -2.27 0.00 0.00 64.05 60.93 1t9a n THR 266 Cb 0.25 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.30 0.00 -4.18 4.28 -2.24 -0.82 -2.16 114.28 110.46 1t9a n THR 267 Ca 0.21 -0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.44 1t9a n THR 267 Cb 0.56 0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.95 3.75 0.83 3.22 1.43 -1.18 -5.01 118.68 118.77 1t9a s LEU 268 Ca -0.01 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1t9a s LEU 268 Cb 0.03 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1t9a s LEU 268 CO 0.19 0.29 0.25 -2.65 0.23 0.00 0.00 176.35 174.66 1t9a n PRO 269 N 2.73 0.03 0.00 1.29 -0.02 -1.26 -4.98 135.00 132.78 1t9a n PRO 269 Ca -0.18 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1t9a n PRO 269 Cb 0.53 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1t9a n PRO 269 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t9a n GLN 281 N -0.47 0.00 0.17 -0.52 0.00 -1.26 -4.99 117.38 110.31 1t9a n GLN 281 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 57.00 57.12 1t9a n GLN 281 Cb 0.52 0.00 0.48 0.00 0.00 0.00 0.00 30.24 31.24 1t9a n GLN 281 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1t9a h ASP 282 N 0.00 0.12 0.18 2.61 3.32 -2.04 -2.85 116.42 117.75 1t9a h ASP 282 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1t9a h ASP 282 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1t9a h ASP 282 CO 0.00 0.23 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.33 1t9a h GLU 283 N 0.13 -0.23 -0.84 3.56 3.07 -2.05 -2.29 114.58 115.92 1t9a h GLU 283 Ca 0.03 0.02 0.18 0.00 -0.50 0.00 0.00 59.36 59.08 1t9a h GLU 283 Cb 0.24 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.14 1t9a h GLU 283 CO 0.01 -0.04 0.56 0.35 -1.40 0.00 0.00 179.01 178.49 1t9a h PHE 284 N -0.38 0.54 0.03 4.33 3.57 -1.94 0.72 116.94 123.80 1t9a h PHE 284 Ca -0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1t9a h PHE 284 Cb 0.30 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1t9a h PHE 284 CO -0.02 0.17 -0.01 0.28 -2.23 0.00 0.00 178.31 176.50 1t9a h VAL 285 N 0.43 1.27 -0.90 1.41 2.07 -1.46 -2.45 116.25 116.62 1t9a h VAL 285 Ca 0.43 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1t9a h VAL 285 Cb 1.01 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1t9a h VAL 285 CO -0.16 0.24 0.59 0.24 0.02 0.00 0.00 177.57 178.50 1t9a h MET 286 N -0.44 1.05 -0.66 1.57 2.86 -0.64 -0.50 114.93 118.16 1t9a h MET 286 Ca -0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1t9a h MET 286 Cb 0.42 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1t9a h MET 286 CO 0.01 0.69 0.31 1.96 1.06 0.00 0.00 176.91 180.93 1t9a h GLN 287 N 1.08 0.95 -0.08 1.72 4.20 -0.84 -1.47 115.11 120.66 1t9a h GLN 287 Ca 0.37 -0.13 -0.17 0.00 0.06 0.00 0.00 58.65 58.79 1t9a h GLN 287 Cb 0.11 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1t9a h GLN 287 CO -0.13 0.74 -0.67 0.77 -0.67 0.00 0.00 178.83 178.88 1t9a h SER 288 N 0.94 0.39 -0.67 1.46 0.02 -0.75 -1.78 113.55 113.15 1t9a h SER 288 Ca 0.23 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1t9a h SER 288 Cb 0.12 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1t9a h SER 288 CO -0.03 0.94 0.18 0.40 -1.14 0.00 0.00 176.83 177.19 1t9a h ILE 289 N 0.24 1.26 -0.05 3.27 2.04 -0.53 0.64 117.51 124.37 1t9a h ILE 289 Ca -0.02 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1t9a h ILE 289 Cb 1.21 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1t9a h ILE 289 CO 0.11 0.36 -0.05 0.78 0.00 0.00 0.00 178.15 179.34 1t9a h ASN 290 N 1.03 0.13 -0.72 1.72 2.35 -1.16 -2.07 115.58 116.86 1t9a h ASN 290 Ca 0.22 -0.49 0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1t9a h ASN 290 Cb 0.34 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 1t9a h ASN 290 CO -0.00 0.60 0.48 0.11 -1.65 0.00 0.00 177.43 176.96 1t9a h LYS 291 N -0.33 0.94 -0.24 0.81 1.57 -1.21 -1.78 116.57 116.32 1t9a h LYS 291 Ca 0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1t9a h LYS 291 Cb 0.56 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1t9a h LYS 291 CO 0.01 0.62 0.08 0.00 -0.57 0.00 0.00 179.45 179.60 1t9a h ALA 292 N 1.55 0.31 -0.58 3.86 0.00 -0.83 -1.67 119.26 121.92 1t9a h ALA 292 Ca 0.26 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1t9a h ALA 292 Cb -0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1t9a h ALA 292 CO -0.06 -0.07 0.27 0.00 0.00 0.00 0.00 179.25 179.39 1t9a h ALA 293 N 0.92 0.75 -0.32 0.00 0.00 -0.68 -1.29 119.26 118.63 1t9a h ALA 293 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1t9a h ALA 293 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1t9a h ALA 293 CO -0.00 -0.11 0.12 -0.44 0.00 0.00 0.00 179.25 178.82 1t9a h ASP 294 N 0.50 0.46 -0.24 0.00 3.32 -1.18 -2.74 116.42 116.53 1t9a h ASP 294 Ca 0.27 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1t9a h ASP 294 Cb 0.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1t9a h ASP 294 CO -0.22 0.52 0.15 0.25 -1.72 0.00 0.00 179.24 178.21 1t9a h LEU 295 N 0.37 0.30 -1.08 1.55 5.85 -0.84 0.12 115.31 121.58 1t9a h LEU 295 Ca 0.11 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1t9a h LEU 295 Cb 0.21 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1t9a h LEU 295 CO -0.01 0.24 -0.22 0.40 -0.34 0.00 0.00 178.44 178.51 1t9a h ILE 296 N 0.35 0.52 0.01 4.05 2.04 -0.97 -3.00 117.51 120.50 1t9a h ILE 296 Ca 0.09 -1.12 -0.24 0.00 1.00 0.00 0.00 64.86 64.60 1t9a h ILE 296 Cb -0.00 1.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1t9a h ILE 296 CO -0.02 0.21 -0.98 0.78 0.00 0.00 0.00 178.15 178.15 1t9a h ASN 297 N 0.00 0.59 -0.16 1.72 2.35 -0.71 -3.08 115.58 116.29 1t9a h ASN 297 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1t9a h ASN 297 Cb 0.76 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1t9a h ASN 297 CO 0.03 1.28 0.00 -0.11 -1.65 0.00 0.00 177.43 176.98 1t9a n LEU 298 N -3.75 1.58 -4.73 1.61 7.94 -0.95 -4.85 117.00 113.84 1t9a n LEU 298 Ca -0.08 -0.79 -0.38 0.00 -1.11 0.00 0.00 56.01 53.65 1t9a n LEU 298 Cb 0.85 -0.33 -0.06 0.00 0.53 0.00 0.00 43.42 44.41 1t9a n LEU 298 CO 0.52 0.29 0.22 0.00 -1.11 0.00 0.00 177.39 177.31 1t9a s ALA 299 N -1.60 3.46 -0.07 1.96 0.00 -1.16 -4.87 121.76 119.48 1t9a s ALA 299 Ca 0.13 -0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.07 1t9a s ALA 299 Cb 0.08 -2.70 -0.15 0.00 0.00 0.00 0.00 23.12 20.36 1t9a s ALA 299 CO 0.06 0.02 0.12 1.63 0.00 0.00 0.00 175.76 177.59 1t9a n LYS 300 N 3.53 1.53 -3.19 0.00 4.76 -1.26 -4.73 118.16 118.80 1t9a n LYS 300 Ca -0.06 -0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.11 1t9a n LYS 300 Cb 0.52 -1.27 -0.05 0.00 -1.84 0.00 0.00 35.03 32.39 1t9a n LYS 300 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1t9a n LYS 301 N -2.19 1.38 -2.53 1.97 5.02 -1.26 -4.68 118.16 115.87 1t9a n LYS 301 Ca -0.11 -3.68 -0.33 0.00 -2.02 0.00 0.00 58.31 52.17 1t9a n LYS 301 Cb 0.62 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.12 3.90 -0.07 1.97 0.04 -1.26 -1.85 135.00 135.60 1t9a s PRO 302 Ca 0.39 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 1t9a s PRO 302 Cb 0.25 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1t9a s PRO 302 CO -0.09 -0.33 0.16 0.08 0.04 0.00 0.00 177.00 176.87 1t9a s VAL 303 N -2.24 -0.08 -0.33 -0.36 1.01 -0.61 -4.26 120.40 113.53 1t9a s VAL 303 Ca 0.63 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 1t9a s VAL 303 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1t9a s VAL 303 CO 0.22 0.08 0.48 -0.76 0.00 0.00 0.00 175.10 175.13 1t9a s LEU 304 N 1.33 4.28 -0.66 3.92 1.43 -0.26 -0.89 118.68 127.83 1t9a s LEU 304 Ca -0.08 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1t9a s LEU 304 Cb -0.11 -2.55 0.17 0.00 0.03 0.00 0.00 46.19 43.72 1t9a s LEU 304 CO -0.06 -0.41 0.56 -0.47 0.23 0.00 0.00 176.35 176.20 1t9a s TYR 305 N 2.31 3.54 -0.04 0.29 5.04 -0.80 -0.71 117.35 126.98 1t9a s TYR 305 Ca 0.18 -2.06 -0.07 0.00 -2.44 0.00 0.00 57.07 52.67 1t9a s TYR 305 Cb -0.16 -3.59 -0.05 0.00 0.35 0.00 0.00 41.96 38.52 1t9a s TYR 305 CO 0.12 -0.96 0.23 0.08 -1.34 0.00 0.00 175.55 173.68 1t9a s VAL 306 N 0.55 5.36 0.00 3.14 1.01 -0.37 -0.71 120.40 129.37 1t9a s VAL 306 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1t9a s VAL 306 Cb -0.19 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1t9a s VAL 306 CO -0.04 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1t9a n GLY 307 N 1.47 4.63 0.33 4.51 0.00 0.19 -1.56 105.19 114.76 1t9a n GLY 307 Ca -0.14 -1.87 0.17 0.00 0.00 0.00 0.00 46.02 44.18 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 1.67 -0.91 4.61 0.00 -1.50 -2.79 119.26 121.34 1t9a h ALA 308 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1t9a h ALA 308 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1t9a h ALA 308 CO 0.00 -0.24 0.59 0.78 0.00 0.00 0.00 179.25 180.37 1t9a h GLY 309 N 0.00 1.34 2.00 0.00 0.00 -1.47 -0.86 103.07 104.08 1t9a h GLY 309 Ca 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1t9a h GLY 309 CO -0.00 0.19 -0.07 1.19 0.00 0.00 0.00 176.54 177.85 1t9a h ILE 310 N 0.88 0.43 -0.01 2.60 6.09 -1.71 -1.81 117.51 123.99 1t9a h ILE 310 Ca 0.43 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.59 1t9a h ILE 310 Cb 0.46 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1t9a h ILE 310 CO -0.19 0.06 -0.08 0.18 -3.07 0.00 0.00 178.15 175.05 1t9a n LEU 311 N -3.56 0.70 -0.93 2.19 4.77 -0.33 -3.84 117.00 115.99 1t9a n LEU 311 Ca -0.02 -0.15 0.03 0.00 -0.03 0.00 0.00 56.01 55.84 1t9a n LEU 311 Cb 0.18 -0.10 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 1t9a n LEU 311 CO 0.28 0.12 0.53 0.59 -1.33 0.00 0.00 177.39 177.58 1t9a n ASN 312 N -0.65 2.58 -3.72 -1.43 5.03 -0.68 -4.76 115.26 111.64 1t9a n ASN 312 Ca 0.17 -2.28 -0.12 0.00 0.87 0.00 0.00 54.58 53.23 1t9a n ASN 312 Cb 0.27 -0.48 -0.11 0.00 -1.02 0.00 0.00 39.78 38.44 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 -1.69 -0.48 0.34 3.10 2.46 -1.25 -5.05 115.29 112.73 1t9a s HIS 313 Ca 0.22 1.08 0.09 0.00 0.47 0.00 0.00 55.06 56.91 1t9a s HIS 313 Cb 0.15 0.18 0.80 0.00 -0.13 0.00 0.00 32.58 33.59 1t9a s HIS 313 CO 0.08 -0.27 1.84 0.00 -2.47 0.00 0.00 174.74 173.92 1t9a h ALA 314 N 6.55 1.81 -0.12 1.58 0.00 -1.89 -0.87 119.26 126.32 1t9a h ALA 314 Ca -0.34 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1t9a h ALA 314 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1t9a h ALA 314 CO 0.30 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.21 1t9a n ASP 315 N -4.61 1.53 0.06 0.00 8.00 -1.26 -4.54 116.55 115.72 1t9a n ASP 315 Ca 0.20 -1.63 -0.05 0.00 0.71 0.00 0.00 54.79 54.01 1t9a n ASP 315 Cb 0.52 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 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 4.99 -1.05 0.03 0.44 0.00 -1.30 -1.11 103.07 105.07 1t9a h GLY 316 Ca 0.00 0.48 0.16 0.00 0.00 0.00 0.00 47.33 47.97 1t9a h GLY 316 CO 0.00 -0.36 0.28 -2.55 0.00 0.00 0.00 176.54 173.92 1t9a h PRO 317 N -0.26 0.38 -0.17 4.80 0.11 -1.79 -0.50 132.00 134.57 1t9a h PRO 317 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1t9a h PRO 317 Cb 0.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1t9a h PRO 317 CO -0.05 0.25 0.10 -0.09 -0.21 0.00 0.00 178.00 177.99 1t9a h ARG 318 N 0.39 0.23 0.00 1.05 2.43 -1.82 -1.30 114.38 115.36 1t9a h ARG 318 Ca 0.44 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 1t9a h ARG 318 Cb 0.72 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1t9a h ARG 318 CO -0.45 0.21 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.11 1t9a h LEU 319 N 0.18 0.00 -0.04 3.80 3.38 -0.56 -1.51 115.31 120.57 1t9a h LEU 319 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1t9a h LEU 319 Cb 0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.81 1t9a h LEU 319 CO -0.01 0.04 -0.85 0.25 0.09 0.00 0.00 178.44 177.96 1t9a h LEU 320 N 0.00 0.82 -0.43 1.67 5.85 -0.55 -2.47 115.31 120.21 1t9a h LEU 320 Ca -0.00 -0.71 -0.06 0.00 0.84 0.00 0.00 57.88 57.95 1t9a h LEU 320 Cb 0.51 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1t9a h LEU 320 CO 0.01 1.42 0.03 0.50 -0.34 0.00 0.00 178.44 180.05 1t9a h LYS 321 N 0.30 0.74 0.18 1.25 3.64 -0.90 -1.19 116.57 120.60 1t9a h LYS 321 Ca -0.09 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1t9a h LYS 321 Cb 1.51 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.22 1t9a h LYS 321 CO 0.17 0.79 -0.33 1.49 -2.27 0.00 0.00 179.45 179.30 1t9a h GLU 322 N 0.58 -0.57 -0.62 1.90 4.81 -1.30 0.14 114.58 119.51 1t9a h GLU 322 Ca 0.13 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1t9a h GLU 322 Cb 0.44 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1t9a h GLU 322 CO 0.02 -0.38 0.40 1.25 -0.73 0.00 0.00 179.01 179.56 1t9a h LEU 323 N -0.59 0.73 -0.32 1.64 5.85 -1.37 0.25 115.31 121.50 1t9a h LEU 323 Ca 0.02 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1t9a h LEU 323 Cb 0.59 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1t9a h LEU 323 CO -0.15 0.54 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.17 1t9a h SER 324 N 0.85 0.58 0.07 1.25 0.87 -0.55 -2.40 113.55 114.23 1t9a h SER 324 Ca 0.23 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1t9a h SER 324 Cb -0.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1t9a h SER 324 CO -0.05 0.79 -0.04 0.44 -0.53 0.00 0.00 176.83 177.45 1t9a h ASP 325 N 0.37 -0.08 -0.32 6.23 3.32 -0.38 0.29 116.42 125.84 1t9a h ASP 325 Ca 0.08 -0.46 0.06 0.00 0.02 0.00 0.00 57.03 56.73 1t9a h ASP 325 Cb 0.51 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 1t9a h ASP 325 CO 0.02 0.45 -0.46 -0.09 -1.72 0.00 0.00 179.24 177.44 1t9a h ARG 326 N -0.65 -0.39 -0.62 3.56 2.43 -0.55 -2.14 114.38 116.02 1t9a h ARG 326 Ca -0.01 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1t9a h ARG 326 Cb 0.54 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1t9a h ARG 326 CO 0.02 -0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.22 1t9a n ALA 327 N -3.03 2.45 -3.57 2.80 0.00 -0.90 -0.68 120.51 117.57 1t9a n ALA 327 Ca -0.02 -1.11 -0.25 0.00 0.00 0.00 0.00 53.44 52.06 1t9a n ALA 327 Cb 0.36 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 1.29 -1.69 -4.96 0.00 1.13 -0.08 -4.62 117.38 108.46 1t9a n GLN 328 Ca 0.21 1.13 -0.29 0.00 -1.94 0.00 0.00 57.00 56.10 1t9a n GLN 328 Cb 0.54 -2.80 -0.17 0.00 0.11 0.00 0.00 30.24 27.92 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 -2.50 1.71 0.33 5.09 1.01 -0.25 -4.91 121.20 121.68 1t9a s ILE 329 Ca 0.13 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 1t9a s ILE 329 Cb -0.02 -1.50 -0.10 0.00 0.01 0.00 0.00 42.46 40.85 1t9a s ILE 329 CO 0.87 0.48 1.25 -2.16 0.00 0.00 0.00 174.94 175.38 1t9a s PRO 330 N 0.49 4.35 -0.12 2.79 0.04 -1.26 -4.76 135.00 136.54 1t9a s PRO 330 Ca -0.17 2.09 0.02 0.00 0.04 0.00 0.00 61.00 62.99 1t9a s PRO 330 Cb -0.17 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1t9a s PRO 330 CO 0.07 -0.14 -0.19 0.08 0.04 0.00 0.00 177.00 176.86 1t9a s VAL 331 N -1.18 2.54 -0.03 -0.36 1.01 0.47 -1.10 120.40 121.75 1t9a s VAL 331 Ca 0.49 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1t9a s VAL 331 Cb -0.37 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1t9a s VAL 331 CO 0.49 0.54 -0.23 0.28 0.00 0.00 0.00 175.10 176.18 1t9a s THR 332 N 0.36 1.84 0.24 3.92 -1.32 0.11 -0.51 115.64 120.27 1t9a s THR 332 Ca -0.15 -0.98 0.11 0.00 -1.21 0.00 0.00 61.69 59.47 1t9a s THR 332 Cb -0.17 -1.54 -0.05 0.00 -1.51 0.00 0.00 72.50 69.24 1t9a s THR 332 CO 0.07 0.52 -0.17 0.42 -2.21 0.00 0.00 174.62 173.25 1t9a s THR 333 N -0.37 2.68 0.93 5.08 -4.23 -0.90 -1.24 115.64 117.59 1t9a s THR 333 Ca 0.04 -2.12 -0.14 0.00 -1.18 0.00 0.00 61.69 58.29 1t9a s THR 333 Cb -0.10 -2.36 0.19 0.00 1.34 0.00 0.00 72.50 71.56 1t9a s THR 333 CO 0.01 -0.27 1.28 0.42 -0.54 0.00 0.00 174.62 175.51 1t9a s THR 334 N -2.12 2.02 0.22 3.99 -4.23 -0.60 -2.74 115.64 112.18 1t9a s THR 334 Ca 0.27 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.62 1t9a s THR 334 Cb -0.07 -2.94 0.18 0.00 1.34 0.00 0.00 72.50 71.01 1t9a s THR 334 CO 0.14 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.32 1t9a h LEU 335 N -1.48 0.76 0.00 4.79 5.85 -1.92 -0.30 115.31 123.00 1t9a h LEU 335 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1t9a h LEU 335 Cb 1.24 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1t9a h LEU 335 CO 0.39 0.50 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 1t9a n GLN 336 N -4.66 0.59 0.01 1.25 1.13 -1.26 -3.20 117.38 111.25 1t9a n GLN 336 Ca 0.10 0.01 0.11 0.00 -1.94 0.00 0.00 57.00 55.28 1t9a n GLN 336 Cb 0.14 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.86 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 1.09 -1.10 3.60 1.08 0.00 -0.17 -3.70 105.19 105.98 1t9a n GLY 337 Ca 0.17 -0.47 -0.51 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.28 1.76 0.00 0.99 4.77 -0.92 -1.65 117.00 119.67 1t9a n LEU 338 Ca -0.03 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1t9a n LEU 338 Cb 0.55 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1t9a n LEU 338 CO 0.44 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1t9a n GLY 339 N 2.51 0.21 0.13 -0.72 0.00 -1.26 -4.68 105.19 101.38 1t9a n GLY 339 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1t9a n GLY 339 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t9a n SER 340 N 0.00 0.91 -3.79 1.61 3.41 -0.66 -0.74 113.62 114.36 1t9a n SER 340 Ca 0.00 -0.71 -0.14 0.00 -0.26 0.00 0.00 58.87 57.76 1t9a n SER 340 Cb 0.00 0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 64.15 1t9a n SER 340 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1t9a s PHE 341 N -2.78 -0.06 -0.03 7.33 5.36 -1.26 -4.54 117.98 121.99 1t9a s PHE 341 Ca 0.16 0.24 -0.30 0.00 -0.96 0.00 0.00 56.93 56.06 1t9a s PHE 341 Cb 0.18 -0.10 -0.05 0.00 -0.34 0.00 0.00 43.02 42.71 1t9a s PHE 341 CO 0.65 -0.09 1.47 0.34 -1.46 0.00 0.00 175.22 176.13 1t9a s ASP 342 N 0.72 6.79 0.00 6.13 -1.08 -1.26 -4.51 116.67 123.46 1t9a s ASP 342 Ca -0.06 2.12 0.30 0.00 -0.52 0.00 0.00 52.55 54.39 1t9a s ASP 342 Cb -0.08 -2.55 1.71 0.00 -1.46 0.00 0.00 42.92 40.55 1t9a s ASP 342 CO -0.03 -0.80 2.10 0.00 0.52 0.00 0.00 175.17 176.97 1t9a n GLN 343 N 6.06 0.80 0.06 4.34 6.02 -0.66 -2.60 117.38 131.41 1t9a n GLN 343 Ca 0.15 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.26 1t9a n GLN 343 Cb 0.43 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.47 1t9a n GLN 343 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1t9a n GLU 344 N -1.08 0.23 -2.44 -1.09 -0.58 -1.26 -4.83 120.64 109.59 1t9a n GLU 344 Ca 0.20 0.10 -0.42 0.00 -0.42 0.00 0.00 57.16 56.63 1t9a n GLU 344 Cb 0.14 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.29 1t9a n GLU 344 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1t9a s ASP 345 N -4.07 7.11 0.61 1.62 -1.08 -1.07 -4.91 116.67 114.89 1t9a s ASP 345 Ca 0.09 2.03 0.28 0.00 -0.52 0.00 0.00 52.55 54.42 1t9a s ASP 345 Cb 0.14 -2.58 1.44 0.00 -1.46 0.00 0.00 42.92 40.46 1t9a s ASP 345 CO 0.67 -0.43 1.85 -0.65 0.52 0.00 0.00 175.17 177.13 1t9a h PRO 346 N 6.50 0.00 -0.22 4.34 0.11 -1.90 0.63 132.00 141.46 1t9a h PRO 346 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1t9a h PRO 346 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1t9a h PRO 346 CO 0.79 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 1t9a n LYS 347 N -3.45 1.58 -2.95 1.05 5.02 -1.26 -4.87 118.16 113.27 1t9a n LYS 347 Ca 0.06 -0.89 -0.41 0.00 -2.02 0.00 0.00 58.31 55.06 1t9a n LYS 347 Cb 0.65 -1.25 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.16 7.00 0.00 4.39 0.15 0.21 -0.39 113.70 123.90 1t9a s SER 348 Ca 0.21 1.22 0.22 0.00 0.70 0.00 0.00 55.95 58.30 1t9a s SER 348 Cb 0.11 -2.44 -0.07 0.00 -1.71 0.00 0.00 66.02 61.91 1t9a s SER 348 CO 0.15 -0.25 1.03 0.18 1.20 0.00 0.00 173.24 175.55 1t9a n LEU 349 N 4.42 1.39 0.00 3.45 4.77 0.33 -4.90 117.00 126.47 1t9a n LEU 349 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1t9a n LEU 349 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1t9a n LEU 349 CO 0.48 0.29 0.00 -0.67 -1.33 0.00 0.00 177.39 176.16 1t9a n ASP 350 N -0.87 -0.30 -4.84 -1.43 -0.08 -1.25 -4.01 116.55 103.78 1t9a n ASP 350 Ca 0.07 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.01 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 4.10 0.51 -0.67 0.00 -1.26 -2.11 119.30 119.87 1t9a s MET 351 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 55.69 56.48 1t9a s MET 351 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 34.83 32.23 1t9a s MET 351 CO 0.00 0.25 0.19 -0.48 0.00 0.00 0.00 175.02 174.98 1t9a s LEU 352 N -2.60 2.57 0.00 4.11 2.34 -1.11 0.14 118.68 124.13 1t9a s LEU 352 Ca 0.50 -1.41 0.00 0.00 0.06 0.00 0.00 54.13 53.28 1t9a s LEU 352 Cb -0.13 -1.01 0.00 0.00 -0.56 0.00 0.00 46.19 44.49 1t9a s LEU 352 CO 0.19 -0.92 0.00 0.61 -1.06 0.00 0.00 176.35 175.17 1t9a n GLY 353 N -1.47 -1.07 0.31 -3.48 0.00 -1.26 -3.92 105.19 94.32 1t9a n GLY 353 Ca -0.09 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 43.93 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 1.43 0.15 0.00 1.61 4.05 -1.04 -1.74 114.93 119.39 1t9a h MET 354 Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1t9a h MET 354 Cb 0.00 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1t9a h MET 354 CO 0.00 0.10 -0.26 0.72 0.23 0.00 0.00 176.91 177.69 1t9a n HIS 355 N -5.29 0.00 -1.96 1.39 8.25 -1.26 -0.48 115.22 115.86 1t9a n HIS 355 Ca 0.21 -1.05 -0.29 0.00 -0.26 0.00 0.00 57.72 56.34 1t9a n HIS 355 Cb 0.68 -0.17 0.11 0.00 1.12 0.00 0.00 29.99 31.73 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 -2.78 1.65 0.26 -1.41 0.00 -0.65 -4.66 107.32 99.71 1t9a s GLY 356 Ca 0.31 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 1t9a s GLY 356 CO -0.02 -0.29 1.55 0.00 0.00 0.00 0.00 173.10 174.35 1t9a h ALA 358 N 5.29 1.08 -0.83 0.00 0.00 -1.87 -0.55 119.26 122.38 1t9a h ALA 358 Ca -0.46 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1t9a h ALA 358 Cb 1.22 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1t9a h ALA 358 CO 0.82 -0.06 0.50 1.15 0.00 0.00 0.00 179.25 181.66 1t9a h THR 359 N 0.61 1.00 -0.71 0.00 2.02 -1.87 -0.23 112.91 113.74 1t9a h THR 359 Ca 0.39 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 1t9a h THR 359 Cb 0.46 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1t9a h THR 359 CO -0.30 0.16 0.24 0.00 0.37 0.00 0.00 175.52 175.99 1t9a h ALA 360 N 1.41 0.93 -0.21 6.16 0.00 -1.26 -1.68 119.26 124.61 1t9a h ALA 360 Ca 0.37 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1t9a h ALA 360 Cb 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1t9a h ALA 360 CO -0.19 0.59 -0.56 -0.91 0.00 0.00 0.00 179.25 178.17 1t9a h ASN 361 N 1.03 0.73 -0.36 0.00 2.35 -0.63 -2.69 115.58 116.01 1t9a h ASN 361 Ca 0.23 -0.40 -0.08 0.00 -0.55 0.00 0.00 56.30 55.51 1t9a h ASN 361 Cb 0.27 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1t9a h ASN 361 CO -0.01 1.14 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.76 1t9a h LEU 362 N 0.50 0.69 -0.82 1.61 3.38 -0.94 -1.45 115.31 118.27 1t9a h LEU 362 Ca 0.01 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1t9a h LEU 362 Cb 1.13 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 1t9a h LEU 362 CO 0.11 0.89 0.52 0.00 0.09 0.00 0.00 178.44 180.05 1t9a h ALA 363 N 0.83 1.09 -0.59 1.53 0.00 -1.31 -0.26 119.26 120.56 1t9a h ALA 363 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1t9a h ALA 363 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1t9a h ALA 363 CO 0.03 0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.85 1t9a h VAL 364 N 0.99 1.27 0.00 0.00 2.07 -1.29 0.16 116.25 119.45 1t9a h VAL 364 Ca 0.34 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 1t9a h VAL 364 Cb 0.06 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1t9a h VAL 364 CO -0.13 0.42 -0.23 1.56 0.02 0.00 0.00 177.57 179.21 1t9a h GLN 365 N 0.94 0.00 0.00 1.57 1.08 -0.70 -3.22 115.11 114.79 1t9a h GLN 365 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1t9a h GLN 365 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1t9a h GLN 365 CO 0.03 0.23 -0.97 0.09 -0.95 0.00 0.00 178.83 177.26 1t9a n ASN 366 N -3.31 0.84 -4.76 1.46 3.02 -0.16 -3.01 115.26 109.35 1t9a n ASN 366 Ca 0.01 -0.81 -0.38 0.00 -0.03 0.00 0.00 54.58 53.37 1t9a n ASN 366 Cb 0.48 1.11 0.02 0.00 -0.61 0.00 0.00 39.78 40.78 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 -2.77 2.94 -0.41 5.41 0.00 0.55 -4.79 121.76 122.69 1t9a s ALA 367 Ca 0.05 1.25 0.22 0.00 0.00 0.00 0.00 51.96 53.49 1t9a s ALA 367 Cb 0.13 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1t9a s ALA 367 CO 0.74 -1.16 0.85 -0.40 0.00 0.00 0.00 175.76 175.79 1t9a n ASP 368 N -0.72 0.50 -3.65 0.00 5.75 -0.77 -1.70 116.55 115.96 1t9a n ASP 368 Ca 0.09 -0.13 -0.15 0.00 -0.01 0.00 0.00 54.79 54.58 1t9a n ASP 368 Cb 0.45 1.13 -0.14 0.00 -1.03 0.00 0.00 41.12 41.54 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 -4.26 -0.23 -0.20 -2.12 2.96 -1.24 -0.83 118.68 112.76 1t9a s LEU 369 Ca -0.00 0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1t9a s LEU 369 Cb 0.14 0.56 -0.03 0.00 0.50 0.00 0.00 46.19 47.36 1t9a s LEU 369 CO 0.84 -0.25 0.01 -0.63 -1.32 0.00 0.00 176.35 175.00 1t9a s ILE 370 N 2.38 4.11 -0.72 6.68 1.01 -0.38 -1.57 121.20 132.71 1t9a s ILE 370 Ca 0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 1t9a s ILE 370 Cb -0.12 -2.86 0.19 0.00 0.01 0.00 0.00 42.46 39.68 1t9a s ILE 370 CO -0.08 0.43 0.59 -0.63 0.00 0.00 0.00 174.94 175.25 1t9a s ILE 371 N 0.91 4.59 -0.19 2.92 1.01 -0.06 -1.11 121.20 129.27 1t9a s ILE 371 Ca 0.02 -2.76 -0.29 0.00 0.00 0.00 0.00 60.65 57.62 1t9a s ILE 371 Cb -0.14 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1t9a s ILE 371 CO 0.02 -0.95 1.36 0.00 0.00 0.00 0.00 174.94 175.37 1t9a s ALA 372 N 0.01 3.55 -0.27 9.38 0.00 0.64 -1.90 121.76 133.18 1t9a s ALA 372 Ca 0.18 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1t9a s ALA 372 Cb -0.16 -3.69 0.07 0.00 0.00 0.00 0.00 23.12 19.34 1t9a s ALA 372 CO -0.06 -1.41 -0.05 0.08 0.00 0.00 0.00 175.76 174.32 1t9a s VAL 373 N 3.93 1.91 -1.26 0.00 1.01 0.11 -0.40 120.40 125.71 1t9a s VAL 373 Ca 0.59 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1t9a s VAL 373 Cb -0.22 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1t9a s VAL 373 CO 0.20 -0.18 1.07 0.61 0.00 0.00 0.00 175.10 176.79 1t9a n GLY 374 N 4.50 -0.43 2.98 4.51 0.00 -1.06 -0.64 105.19 115.06 1t9a n GLY 374 Ca -0.10 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.34 0.35 -0.24 4.61 0.00 -1.26 -1.34 121.76 120.54 1t9a s ALA 375 Ca 0.23 -0.45 0.16 0.00 0.00 0.00 0.00 51.96 51.90 1t9a s ALA 375 Cb -0.10 0.01 0.60 0.00 0.00 0.00 0.00 23.12 23.63 1t9a s ALA 375 CO 0.73 -0.01 1.50 2.89 0.00 0.00 0.00 175.76 180.87 1t9a n ARG 376 N 2.19 3.41 -4.02 0.00 1.85 -1.26 -4.99 116.66 113.84 1t9a n ARG 376 Ca -0.18 -2.90 -0.29 0.00 -1.00 0.00 0.00 57.85 53.47 1t9a n ARG 376 Cb 0.57 -1.93 -0.03 0.00 -1.05 0.00 0.00 32.46 30.02 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 -0.18 -1.56 -1.16 2.89 3.01 -1.26 -4.89 117.46 114.32 1t9a n PHE 377 Ca 0.23 0.62 -0.29 0.00 1.01 0.00 0.00 57.45 59.02 1t9a n PHE 377 Cb 0.95 -3.40 0.17 0.00 -0.01 0.00 0.00 39.48 37.20 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 -4.20 2.72 0.00 4.37 -4.77 -1.26 -4.76 116.67 108.77 1t9a s ASP 378 Ca 0.10 1.25 0.17 0.00 -3.30 0.00 0.00 52.55 50.77 1t9a s ASP 378 Cb -0.04 -1.92 0.92 0.00 -1.09 0.00 0.00 42.92 40.79 1t9a s ASP 378 CO 0.92 -3.08 1.50 -0.90 0.70 0.00 0.00 175.17 174.32 1t9a n ASP 379 N -4.15 0.00 0.00 2.11 5.68 -1.26 -2.12 116.55 116.82 1t9a n ASP 379 Ca 0.05 -0.11 0.11 0.00 -0.50 0.00 0.00 54.79 54.35 1t9a n ASP 379 Cb 0.57 -0.22 0.11 0.00 -1.14 0.00 0.00 41.12 40.44 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 -1.22 0.04 -0.09 0.11 5.12 -1.26 -4.11 116.66 115.26 1t9a n ARG 380 Ca 0.09 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.87 1t9a n ARG 380 Cb 0.12 -1.52 -0.08 0.00 -1.16 0.00 0.00 32.46 29.83 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 -1.57 1.00 0.11 1.55 0.31 -0.90 -0.52 118.33 118.31 1t9a n VAL 381 Ca 0.05 -0.34 -0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1t9a n VAL 381 Cb 0.35 -1.33 0.05 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.23 1.53 -0.07 2.52 1.35 -1.70 -3.35 112.91 112.96 1t9a h THR 382 Ca -0.42 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 1t9a h THR 382 Cb 1.54 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1t9a h THR 382 CO -0.14 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1t9a n GLY 383 N 0.71 -0.34 3.59 5.82 0.00 -1.26 -4.41 105.19 109.30 1t9a n GLY 383 Ca -0.01 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 5.26 0.42 1.61 3.84 -0.16 -4.82 114.94 117.10 1t9a s ASN 384 Ca 0.00 1.61 0.20 0.00 0.21 0.00 0.00 52.86 54.88 1t9a s ASN 384 Cb 0.00 -2.51 1.14 0.00 -0.55 0.00 0.00 41.25 39.33 1t9a s ASN 384 CO 0.00 -2.15 1.81 0.40 -2.79 0.00 0.00 177.10 174.36 1t9a h ILE 385 N 7.24 0.57 -0.25 -5.21 2.04 -1.90 -0.01 117.51 120.00 1t9a h ILE 385 Ca -0.36 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 1t9a h ILE 385 Cb 1.24 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1t9a h ILE 385 CO 1.02 0.07 -0.13 0.28 0.00 0.00 0.00 178.15 179.38 1t9a h SER 386 N 0.36 0.40 -0.49 1.72 0.02 -1.95 -2.53 113.55 111.08 1t9a h SER 386 Ca 0.54 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1t9a h SER 386 Cb 1.44 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1t9a h SER 386 CO -0.22 0.56 0.00 0.29 -1.14 0.00 0.00 176.83 176.32 1t9a n LYS 387 N -4.22 2.28 -2.64 3.45 5.02 -0.06 -4.95 118.16 117.05 1t9a n LYS 387 Ca 0.00 -1.97 -0.42 0.00 -2.02 0.00 0.00 58.31 53.91 1t9a n LYS 387 Cb 0.31 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.36 3.66 -0.99 2.13 5.36 -0.96 -4.28 117.98 121.55 1t9a s PHE 388 Ca 0.37 1.65 -0.14 0.00 -0.96 0.00 0.00 56.93 57.86 1t9a s PHE 388 Cb 0.20 -3.17 0.01 0.00 -0.34 0.00 0.00 43.02 39.72 1t9a s PHE 388 CO 0.27 -0.24 0.69 0.00 -1.46 0.00 0.00 175.22 174.47 1t9a n ALA 389 N 3.32 -2.66 -0.09 11.12 0.00 -1.26 -4.87 120.51 126.06 1t9a n ALA 389 Ca 0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 1t9a n ALA 389 Cb 0.49 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 1t9a n ALA 389 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1t9a h PRO 390 N -1.15 0.42 -0.28 0.00 0.11 -1.74 -2.26 132.00 127.10 1t9a h PRO 390 Ca -0.58 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.41 1t9a h PRO 390 Cb 1.34 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1t9a h PRO 390 CO 0.42 0.40 -0.10 0.93 -0.21 0.00 0.00 178.00 179.45 1t9a h GLU 391 N 0.33 0.45 -0.05 1.05 4.39 -1.72 -1.76 114.58 117.27 1t9a h GLU 391 Ca 0.10 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1t9a h GLU 391 Cb 0.12 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1t9a h GLU 391 CO -0.01 0.56 -0.60 0.00 -1.16 0.00 0.00 179.01 177.80 1t9a h ALA 392 N 1.48 0.91 -0.31 3.43 0.00 -1.20 0.86 119.26 124.43 1t9a h ALA 392 Ca 0.08 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1t9a h ALA 392 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1t9a h ALA 392 CO 0.02 0.73 -0.45 0.07 0.00 0.00 0.00 179.25 179.62 1t9a h ARG 393 N 0.11 0.80 -0.18 0.00 -0.00 -0.93 -0.14 114.38 114.04 1t9a h ARG 393 Ca -0.01 -0.45 -0.19 0.00 -0.00 0.00 0.00 59.98 59.34 1t9a h ARG 393 Cb 1.08 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.08 1t9a h ARG 393 CO 0.09 1.08 -0.64 -0.09 -0.00 0.00 0.00 179.97 180.40 1t9a h ARG 394 N 0.64 0.67 0.00 0.08 2.43 -1.16 -1.13 114.38 115.90 1t9a h ARG 394 Ca 0.04 -0.48 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 1t9a h ARG 394 Cb 1.03 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1t9a h ARG 394 CO 0.10 1.10 -0.19 0.00 -1.51 0.00 0.00 179.97 179.47 1t9a h ALA 395 N 0.79 1.15 0.05 2.80 0.00 -0.69 -2.05 119.26 121.30 1t9a h ALA 395 Ca -0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1t9a h ALA 395 Cb 1.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1t9a h ALA 395 CO 0.13 0.23 -1.21 0.00 0.00 0.00 0.00 179.25 178.40 1t9a h ALA 396 N 1.81 0.33 0.00 0.00 0.00 -0.64 0.23 119.26 120.98 1t9a h ALA 396 Ca -0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 54.91 53.85 1t9a h ALA 396 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1t9a h ALA 396 CO 0.02 1.21 -0.29 0.00 0.00 0.00 0.00 179.25 180.19 1t9a h ALA 397 N 0.83 1.07 -0.62 0.00 0.00 -0.62 -2.51 119.26 117.41 1t9a h ALA 397 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1t9a h ALA 397 Cb 1.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1t9a h ALA 397 CO 0.15 0.36 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1t9a n GLU 398 N -3.53 3.24 -2.30 0.00 1.02 -0.83 -4.95 120.64 113.28 1t9a n GLU 398 Ca -0.00 -2.70 -0.13 0.00 -0.02 0.00 0.00 57.16 54.31 1t9a n GLU 398 Cb 0.44 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.13 -0.28 0.07 0.62 0.00 -0.95 -4.80 105.19 100.98 1t9a n GLY 399 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.69 2.59 0.00 1.61 1.85 0.54 -5.02 116.66 115.54 1t9a n ARG 400 Ca -0.15 -1.81 0.00 0.00 -1.00 0.00 0.00 57.85 54.89 1t9a n ARG 400 Cb 0.59 -1.15 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 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 -0.66 -0.81 0.00 2.89 0.00 0.25 -4.68 105.19 102.18 1t9a n GLY 401 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.13 2.97 -0.02 0.00 -0.01 -3.85 105.19 104.41 1t9a n GLY 402 Ca 0.00 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.56 1.05 -0.15 -0.61 1.01 -1.26 -1.24 121.20 119.44 1t9a s ILE 403 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1t9a s ILE 403 Cb 0.00 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1t9a s ILE 403 CO 0.00 0.35 -0.01 -0.63 0.00 0.00 0.00 174.94 174.65 1t9a s ILE 404 N 1.05 4.15 -0.20 2.92 1.01 -0.26 -1.18 121.20 128.68 1t9a s ILE 404 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1t9a s ILE 404 Cb -0.15 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.55 1t9a s ILE 404 CO -0.01 0.50 -0.09 -2.28 0.00 0.00 0.00 174.94 173.06 1t9a s HIS 405 N 0.16 2.39 -0.90 3.97 2.46 0.26 -0.26 115.29 123.37 1t9a s HIS 405 Ca 0.00 -1.59 -0.18 0.00 0.47 0.00 0.00 55.06 53.76 1t9a s HIS 405 Cb -0.13 -1.62 0.15 0.00 -0.13 0.00 0.00 32.58 30.85 1t9a s HIS 405 CO 0.02 -0.74 1.04 -0.06 -2.47 0.00 0.00 174.74 172.53 1t9a s PHE 406 N 1.40 3.25 -0.07 3.88 0.40 0.47 -1.01 117.98 126.31 1t9a s PHE 406 Ca -0.02 -1.50 0.05 0.00 -0.60 0.00 0.00 56.93 54.86 1t9a s PHE 406 Cb -0.17 -4.18 -0.01 0.00 0.51 0.00 0.00 43.02 39.17 1t9a s PHE 406 CO -0.08 -1.38 -0.21 -2.00 0.70 0.00 0.00 175.22 172.25 1t9a s GLU 407 N 2.17 2.69 0.12 0.44 2.56 -1.06 -2.55 118.70 123.07 1t9a s GLU 407 Ca 0.29 -0.84 0.13 0.00 0.00 0.00 0.00 54.97 54.56 1t9a s GLU 407 Cb -0.07 -2.28 -0.11 0.00 2.00 0.00 0.00 34.13 33.68 1t9a s GLU 407 CO -0.09 0.39 1.08 -0.24 -0.56 0.00 0.00 175.26 175.84 1t9a h VAL 408 N 5.01 0.93 -3.63 3.70 3.04 -1.84 -2.17 116.25 121.29 1t9a h VAL 408 Ca -0.33 -2.49 -0.69 0.00 -1.01 0.00 0.00 66.70 62.18 1t9a h VAL 408 Cb 1.18 2.39 -0.23 0.00 -2.01 0.00 0.00 31.29 32.62 1t9a h VAL 408 CO 0.49 0.53 -0.54 -0.55 -1.01 0.00 0.00 177.57 176.49 1t9a s SER 409 N -6.23 5.64 0.41 3.17 0.15 -1.26 -4.33 113.70 111.24 1t9a s SER 409 Ca -0.00 -0.70 0.16 0.00 0.70 0.00 0.00 55.95 56.10 1t9a s SER 409 Cb 0.09 -2.02 1.04 0.00 -1.71 0.00 0.00 66.02 63.42 1t9a s SER 409 CO 0.80 -0.27 1.86 -0.65 1.20 0.00 0.00 173.24 176.17 1t9a h PRO 410 N 8.39 0.44 0.00 5.44 0.11 -1.97 -0.23 132.00 144.17 1t9a h PRO 410 Ca -0.30 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1t9a h PRO 410 Cb 1.13 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1t9a h PRO 410 CO 0.64 0.29 -0.04 0.87 -0.21 0.00 0.00 178.00 179.54 1t9a h LYS 411 N 0.45 0.00 -0.62 1.05 6.56 -1.99 -1.85 116.57 120.17 1t9a h LYS 411 Ca 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.05 1t9a h LYS 411 Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1t9a h LYS 411 CO -0.18 0.04 0.00 0.09 -2.06 0.00 0.00 179.45 177.34 1t9a n ASN 412 N -3.53 3.55 -4.60 0.86 3.02 -0.10 -4.64 115.26 109.82 1t9a n ASN 412 Ca -0.02 -2.14 -0.37 0.00 -0.03 0.00 0.00 54.58 52.02 1t9a n ASN 412 Cb 0.15 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 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 -1.42 5.14 -1.45 2.41 1.01 -0.70 -4.24 121.20 121.95 1t9a s ILE 413 Ca 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 1t9a s ILE 413 Cb 0.23 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1t9a s ILE 413 CO 0.25 0.32 0.32 0.59 0.00 0.00 0.00 174.94 176.42 1t9a n ASN 414 N 4.57 -5.48 0.01 3.58 3.02 -1.26 -4.90 115.26 114.80 1t9a n ASN 414 Ca -0.15 -0.16 -0.21 0.00 -0.03 0.00 0.00 54.58 54.03 1t9a n ASN 414 Cb 0.52 -4.40 -0.14 0.00 -0.61 0.00 0.00 39.78 35.15 1t9a n ASN 414 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1t9a n LYS 415 N -3.28 0.76 -0.09 3.52 4.81 -1.26 -4.70 118.16 117.92 1t9a n LYS 415 Ca -0.15 0.26 -0.11 0.00 -0.87 0.00 0.00 58.31 57.44 1t9a n LYS 415 Cb 0.63 -1.71 -0.04 0.00 0.02 0.00 0.00 35.03 33.93 1t9a n LYS 415 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1t9a n VAL 416 N -3.47 1.50 -4.41 3.15 0.31 -1.26 -5.02 118.33 109.12 1t9a n VAL 416 Ca -0.31 0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 63.88 1t9a n VAL 416 Cb 1.05 -2.29 -0.13 0.00 -0.91 0.00 0.00 33.84 31.55 1t9a n VAL 416 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1t9a s VAL 417 N -2.79 1.24 0.05 2.52 0.11 -1.26 -5.11 120.40 115.15 1t9a s VAL 417 Ca -0.29 -1.05 -0.31 0.00 -2.93 0.00 0.00 61.98 57.41 1t9a s VAL 417 Cb 0.05 -1.11 -0.07 0.00 -1.53 0.00 0.00 36.38 33.73 1t9a s VAL 417 CO 0.42 0.05 1.40 -1.58 -3.33 0.00 0.00 175.10 172.06 1t9a s GLN 418 N -1.15 4.30 0.24 1.54 2.00 -1.26 -4.21 119.66 121.12 1t9a s GLN 418 Ca 0.03 2.02 0.06 0.00 -2.00 0.00 0.00 55.36 55.47 1t9a s GLN 418 Cb -0.08 -3.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.26 1t9a s GLN 418 CO 0.01 -0.51 0.24 0.95 -0.50 0.00 0.00 175.29 175.48 1t9a s THR 419 N 1.83 4.68 -0.10 -0.34 -4.23 -1.26 -4.85 115.64 111.36 1t9a s THR 419 Ca 0.64 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1t9a s THR 419 Cb -0.34 -3.52 -0.27 0.00 1.34 0.00 0.00 72.50 69.71 1t9a s THR 419 CO 0.28 -0.32 0.49 1.56 -0.54 0.00 0.00 174.62 176.09 1t9a h GLN 420 N 1.49 0.29 -4.50 3.99 7.50 -1.52 -3.47 115.11 118.88 1t9a h GLN 420 Ca -0.49 -0.49 -0.42 0.00 0.50 0.00 0.00 58.65 57.74 1t9a h GLN 420 Cb 1.23 0.18 -0.31 0.00 0.05 0.00 0.00 27.48 28.63 1t9a h GLN 420 CO 0.61 1.24 -0.78 0.42 -1.50 0.00 0.00 178.83 178.81 1t9a s ILE 421 N -2.54 0.74 -0.12 2.54 1.01 -0.97 -5.04 121.20 116.82 1t9a s ILE 421 Ca -0.20 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1t9a s ILE 421 Cb 0.06 -0.67 0.02 0.00 0.01 0.00 0.00 42.46 41.87 1t9a s ILE 421 CO 0.78 0.24 -0.15 0.00 0.00 0.00 0.00 174.94 175.81 1t9a s ALA 422 N 0.28 1.79 -0.49 9.38 0.00 -1.26 -0.57 121.76 130.89 1t9a s ALA 422 Ca -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1t9a s ALA 422 Cb -0.09 -0.92 0.13 0.00 0.00 0.00 0.00 23.12 22.23 1t9a s ALA 422 CO 0.01 -0.18 0.31 0.08 0.00 0.00 0.00 175.76 175.98 1t9a s VAL 423 N 1.16 3.65 0.51 0.00 1.01 -0.18 -4.84 120.40 121.72 1t9a s VAL 423 Ca -0.02 -2.27 -0.20 0.00 0.00 0.00 0.00 61.98 59.48 1t9a s VAL 423 Cb -0.14 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1t9a s VAL 423 CO -0.05 -0.77 1.11 -1.61 0.00 0.00 0.00 175.10 173.78 1t9a s GLU 424 N 0.82 3.53 0.00 2.72 2.02 -1.26 -2.56 118.70 123.98 1t9a s GLU 424 Ca 0.10 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.67 1t9a s GLU 424 Cb -0.22 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1t9a s GLU 424 CO -0.03 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1t9a n GLY 425 N 0.11 -1.53 3.72 -1.39 0.00 -0.82 -4.93 105.19 100.35 1t9a n GLY 425 Ca 0.10 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1t9a n GLY 425 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t9a n ASP 426 N 0.00 3.92 0.20 1.61 4.64 -1.26 -3.28 116.55 122.37 1t9a n ASP 426 Ca 0.00 1.07 -0.15 0.00 -1.38 0.00 0.00 54.79 54.33 1t9a n ASP 426 Cb 0.00 -1.56 -0.08 0.00 -1.04 0.00 0.00 41.12 38.43 1t9a n ASP 426 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1t9a h ALA 427 N 6.62 -0.47 -0.58 -1.67 0.00 -1.88 -2.26 119.26 119.02 1t9a h ALA 427 Ca -0.43 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.44 1t9a h ALA 427 Cb 1.21 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 1t9a h ALA 427 CO 0.95 -0.69 0.09 1.15 0.00 0.00 0.00 179.25 180.75 1t9a h THR 428 N -0.62 0.62 -0.26 0.00 2.02 -1.91 0.16 112.91 112.93 1t9a h THR 428 Ca -0.05 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1t9a h THR 428 Cb 0.45 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1t9a h THR 428 CO 0.08 0.04 0.16 0.74 0.37 0.00 0.00 175.52 176.91 1t9a h THR 429 N 0.22 1.09 0.00 3.16 2.02 -1.95 -2.10 112.91 115.35 1t9a h THR 429 Ca 0.30 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 1t9a h THR 429 Cb 0.45 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1t9a h THR 429 CO -0.41 0.08 -0.46 0.78 0.37 0.00 0.00 175.52 175.88 1t9a h ASN 430 N 0.34 0.00 0.69 4.18 2.35 -0.76 -2.34 115.58 120.03 1t9a h ASN 430 Ca 0.09 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1t9a h ASN 430 Cb -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1t9a h ASN 430 CO -0.02 0.46 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.81 1t9a h LEU 431 N 0.00 0.00 -0.18 1.61 3.38 -0.43 -2.35 115.31 117.34 1t9a h LEU 431 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1t9a h LEU 431 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1t9a h LEU 431 CO 0.06 0.34 -0.94 1.23 0.09 0.00 0.00 178.44 179.22 1t9a h GLY 432 N 1.73 0.17 1.60 0.83 0.00 -0.86 -2.25 103.07 104.27 1t9a h GLY 432 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1t9a h GLY 432 CO 0.04 0.29 -0.15 0.28 0.00 0.00 0.00 176.54 177.00 1t9a n LYS 433 N -3.58 0.08 -0.02 4.80 5.02 -1.00 -3.58 118.16 119.89 1t9a n LYS 433 Ca -0.03 -0.02 0.07 0.00 -2.02 0.00 0.00 58.31 56.30 1t9a n LYS 433 Cb 0.86 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.24 1t9a n LYS 433 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1t9a n MET 434 N -1.44 0.63 -0.22 1.97 1.56 -0.91 -4.67 117.12 114.05 1t9a n MET 434 Ca 0.08 -0.14 -0.06 0.00 -0.27 0.00 0.00 57.70 57.31 1t9a n MET 434 Cb 0.33 -1.41 -0.00 0.00 2.15 0.00 0.00 33.22 34.28 1t9a n MET 434 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 1t9a h MET 435 N 0.00 -0.16 -0.94 2.12 -1.53 -1.46 -1.27 114.93 111.70 1t9a h MET 435 Ca -0.06 0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.32 1t9a h MET 435 Cb 0.94 0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 31.96 1t9a h MET 435 CO 0.00 -0.11 0.60 0.66 0.14 0.00 0.00 176.91 178.21 1t9a h SER 436 N -0.17 0.86 0.00 1.39 4.64 -1.83 -1.11 113.55 117.32 1t9a h SER 436 Ca 0.22 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1t9a h SER 436 Cb 0.56 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1t9a h SER 436 CO -0.71 0.49 0.00 0.29 -0.87 0.00 0.00 176.83 176.03 1t9a n LYS 437 N -4.55 0.70 -4.37 4.77 5.02 -0.48 -4.71 118.16 114.53 1t9a n LYS 437 Ca 0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.12 1t9a n LYS 437 Cb 0.32 -1.19 -0.15 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.45 2.94 -0.03 -0.18 -1.09 -0.42 -4.76 121.20 116.20 1t9a s ILE 438 Ca 0.00 -0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 57.45 1t9a s ILE 438 Cb 0.00 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 1t9a s ILE 438 CO 0.00 0.49 1.09 -0.36 -1.23 0.00 0.00 174.94 174.93 1t9a s PHE 439 N 0.92 3.46 -0.55 3.97 0.08 -1.26 -4.95 117.98 119.63 1t9a s PHE 439 Ca -0.03 1.47 -0.26 0.00 0.12 0.00 0.00 56.93 58.23 1t9a s PHE 439 Cb -0.15 -3.27 -0.06 0.00 -0.57 0.00 0.00 43.02 38.97 1t9a s PHE 439 CO -0.01 -0.64 2.23 -2.14 -0.10 0.00 0.00 175.22 174.56 1t9a s PRO 440 N 1.61 2.23 -0.17 0.24 0.02 -1.26 -4.60 135.00 133.07 1t9a s PRO 440 Ca 0.53 1.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 1t9a s PRO 440 Cb -0.23 -4.55 -0.02 0.00 0.02 0.00 0.00 34.50 29.72 1t9a s PRO 440 CO 0.24 -3.19 1.39 0.08 -0.33 0.00 0.00 177.00 175.19 1t9a s VAL 441 N 11.38 4.05 -1.30 3.83 1.01 0.15 -4.89 120.40 134.64 1t9a s VAL 441 Ca 0.87 1.25 0.26 0.00 0.00 0.00 0.00 61.98 64.36 1t9a s VAL 441 Cb -0.15 -3.88 0.15 0.00 0.00 0.00 0.00 36.38 32.50 1t9a s VAL 441 CO 0.23 -0.19 1.55 2.29 0.00 0.00 0.00 175.10 178.97 1t9a n LYS 442 N 6.95 0.33 -3.52 2.72 0.00 -1.26 -4.08 118.16 119.30 1t9a n LYS 442 Ca 0.15 -0.17 -0.12 0.00 -0.00 0.00 0.00 58.31 58.16 1t9a n LYS 442 Cb 0.45 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.94 1t9a n LYS 442 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1t9a s GLU 443 N -2.79 0.88 -0.44 -1.58 -1.05 -1.26 -5.07 118.70 107.39 1t9a s GLU 443 Ca 0.17 -0.01 0.07 0.00 -0.15 0.00 0.00 54.97 55.05 1t9a s GLU 443 Cb 0.18 0.41 0.31 0.00 -0.44 0.00 0.00 34.13 34.60 1t9a s GLU 443 CO 0.61 -0.32 0.97 0.54 0.95 0.00 0.00 175.26 178.00 1t9a n ARG 444 N 0.39 0.96 0.23 -4.83 1.74 -1.26 -5.04 116.66 108.84 1t9a n ARG 444 Ca -0.13 -2.29 -0.16 0.00 -0.77 0.00 0.00 57.85 54.50 1t9a n ARG 444 Cb 0.60 -1.25 -0.08 0.00 -1.02 0.00 0.00 32.46 30.70 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 3.20 -1.14 -0.49 0.55 0.02 -1.97 -0.75 113.55 112.97 1t9a h SER 445 Ca -0.05 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1t9a h SER 445 Cb 1.05 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 63.90 1t9a h SER 445 CO 0.26 -0.55 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.06 1t9a h GLU 446 N -0.81 0.11 0.56 3.45 3.07 -1.96 0.37 114.58 119.37 1t9a h GLU 446 Ca -0.03 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1t9a h GLU 446 Cb 0.74 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1t9a h GLU 446 CO -0.09 0.07 -0.27 2.35 -1.40 0.00 0.00 179.01 179.67 1t9a h TRP 447 N 0.11 -0.69 0.00 4.33 -0.00 -1.81 -2.43 115.95 115.45 1t9a h TRP 447 Ca 0.25 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.12 1t9a h TRP 447 Cb 0.37 0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.76 1t9a h TRP 447 CO -0.32 -0.37 -0.01 0.74 -0.00 0.00 0.00 178.44 178.49 1t9a h PHE 448 N -0.95 0.00 0.03 2.65 -1.00 -0.94 -1.22 116.94 115.51 1t9a h PHE 448 Ca -0.08 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 1t9a h PHE 448 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1t9a h PHE 448 CO -0.00 0.01 -0.02 0.00 -1.61 0.00 0.00 178.31 176.69 1t9a h ALA 449 N 1.99 -0.04 -0.36 2.45 0.00 -0.17 -0.85 119.26 122.29 1t9a h ALA 449 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1t9a h ALA 449 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1t9a h ALA 449 CO 0.00 -0.36 0.22 0.37 0.00 0.00 0.00 179.25 179.48 1t9a h GLN 450 N -0.37 0.48 -0.23 0.00 5.75 -0.92 -1.97 115.11 117.84 1t9a h GLN 450 Ca -0.00 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1t9a h GLN 450 Cb 0.35 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1t9a h GLN 450 CO 0.01 0.35 0.08 0.82 -2.65 0.00 0.00 178.83 177.44 1t9a h ILE 451 N 0.47 0.94 0.00 2.39 2.04 -1.20 -1.56 117.51 120.58 1t9a h ILE 451 Ca 0.13 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1t9a h ILE 451 Cb -0.01 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1t9a h ILE 451 CO -0.02 0.03 -0.08 0.78 0.00 0.00 0.00 178.15 178.86 1t9a h ASN 452 N 0.18 0.00 -0.37 1.72 2.35 -1.00 -0.98 115.58 117.48 1t9a h ASN 452 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 1t9a h ASN 452 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1t9a h ASN 452 CO -0.11 0.08 -0.03 0.50 -1.65 0.00 0.00 177.43 176.22 1t9a h LYS 453 N 0.00 0.68 -0.37 0.81 3.64 -0.50 -2.51 116.57 118.32 1t9a h LYS 453 Ca -0.00 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 58.98 1t9a h LYS 453 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1t9a h LYS 453 CO 0.01 0.80 -0.41 -1.49 -2.27 0.00 0.00 179.45 176.09 1t9a h TRP 454 N 0.49 1.10 -1.00 1.91 6.55 -0.97 -2.96 115.95 121.08 1t9a h TRP 454 Ca 0.10 -0.34 0.18 0.00 0.95 0.00 0.00 58.89 59.78 1t9a h TRP 454 Cb 0.51 -0.23 -0.10 0.00 -0.86 0.00 0.00 29.16 28.48 1t9a h TRP 454 CO 0.04 1.16 0.62 0.87 -1.05 0.00 0.00 178.44 180.08 1t9a h LYS 455 N 0.74 0.76 0.02 0.49 6.56 -1.03 0.50 116.57 124.61 1t9a h LYS 455 Ca 0.05 -0.05 -0.20 0.00 -1.06 0.00 0.00 60.65 59.39 1t9a h LYS 455 Cb 1.00 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 32.47 1t9a h LYS 455 CO 0.10 0.51 -0.94 0.87 -2.06 0.00 0.00 179.45 177.92 1t9a h LYS 456 N 0.79 0.11 0.00 3.15 6.56 -1.36 -3.35 116.57 122.47 1t9a h LYS 456 Ca 0.56 -0.14 -0.15 0.00 -1.06 0.00 0.00 60.65 59.86 1t9a h LYS 456 Cb 0.84 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.52 1t9a h LYS 456 CO -0.35 0.97 -1.69 -0.85 -2.06 0.00 0.00 179.45 175.47 1t9a n GLU 457 N -3.54 0.64 -3.07 3.15 0.28 -0.73 -4.68 120.64 112.69 1t9a n GLU 457 Ca -0.03 0.07 -0.27 0.00 -0.16 0.00 0.00 57.16 56.77 1t9a n GLU 457 Cb 0.86 -1.69 -0.05 0.00 1.43 0.00 0.00 31.44 32.00 1t9a n GLU 457 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1t9a n TYR 458 N -2.69 3.80 -2.69 -1.84 0.53 0.17 -5.08 117.16 109.36 1t9a n TYR 458 Ca -0.12 -4.03 -0.23 0.00 -1.02 0.00 0.00 57.90 52.50 1t9a n TYR 458 Cb 0.80 -0.50 0.03 0.00 -1.03 0.00 0.00 39.34 38.64 1t9a n TYR 458 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 1t9a s PRO 459 N -3.17 2.75 -0.98 -0.72 0.04 -1.26 -4.40 135.00 127.27 1t9a s PRO 459 Ca 0.46 -0.51 -0.24 0.00 0.04 0.00 0.00 61.00 60.75 1t9a s PRO 459 Cb 0.25 -2.45 -0.16 0.00 0.04 0.00 0.00 34.50 32.18 1t9a s PRO 459 CO -0.10 -0.60 1.94 0.66 0.04 0.00 0.00 177.00 178.93 1t9a n TYR 460 N -2.34 1.95 -3.15 0.56 0.53 -1.26 -4.90 117.16 108.56 1t9a n TYR 460 Ca 0.05 -1.19 -0.32 0.00 -1.02 0.00 0.00 57.90 55.42 1t9a n TYR 460 Cb 0.59 -2.27 -0.06 0.00 -1.03 0.00 0.00 39.34 36.57 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 10.73 3.35 0.16 -0.72 0.00 -1.26 -5.08 121.76 128.95 1t9a s ALA 461 Ca 0.69 -0.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 1t9a s ALA 461 Cb 0.03 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.49 1t9a s ALA 461 CO 0.16 0.32 0.78 1.52 0.00 0.00 0.00 175.76 178.54 1t9a s TYR 462 N -2.00 -0.30 -0.47 0.00 -0.85 -1.26 -4.76 117.35 107.71 1t9a s TYR 462 Ca 0.53 0.01 -0.28 0.00 -0.52 0.00 0.00 57.07 56.82 1t9a s TYR 462 Cb -0.10 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.85 1t9a s TYR 462 CO 0.19 -0.90 1.70 1.41 -1.52 0.00 0.00 175.55 176.43 1t9a s MET 463 N -3.57 3.14 0.70 -3.49 -2.45 -1.26 -4.98 119.30 107.39 1t9a s MET 463 Ca 0.07 0.95 -0.11 0.00 -1.25 0.00 0.00 55.69 55.35 1t9a s MET 463 Cb -0.03 -4.22 0.01 0.00 1.25 0.00 0.00 34.83 31.85 1t9a s MET 463 CO -0.03 -2.10 1.07 -1.21 1.05 0.00 0.00 175.02 173.80 1t9a s GLU 464 N 5.96 2.89 0.68 4.11 2.02 -1.26 -4.92 118.70 128.19 1t9a s GLU 464 Ca 0.69 0.67 -0.17 0.00 0.02 0.00 0.00 54.97 56.17 1t9a s GLU 464 Cb -0.16 -2.01 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1t9a s GLU 464 CO 0.28 -1.06 1.23 0.39 0.02 0.00 0.00 175.26 176.12 1t9a n GLU 465 N -3.06 0.87 -4.22 1.61 4.71 -1.26 -5.04 120.64 114.24 1t9a n GLU 465 Ca 0.07 0.36 -0.13 0.00 -0.01 0.00 0.00 57.16 57.44 1t9a n GLU 465 Cb 0.55 -2.46 -0.10 0.00 -1.01 0.00 0.00 31.44 28.42 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 -1.57 0.87 -0.06 2.62 -4.23 -1.26 -5.06 115.64 106.95 1t9a s THR 466 Ca 0.80 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.96 1t9a s THR 466 Cb -0.36 -1.88 -0.13 0.00 1.34 0.00 0.00 72.50 71.46 1t9a s THR 466 CO 0.43 -0.70 1.75 -0.81 -0.54 0.00 0.00 174.62 174.75 1t9a n PRO 467 N -0.17 1.90 -0.32 3.99 -0.04 -1.26 -1.37 135.00 137.73 1t9a n PRO 467 Ca -0.10 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1t9a n PRO 467 Cb 0.61 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1t9a n PRO 467 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t9a n GLY 468 N 4.00 1.49 3.94 0.55 0.00 -1.26 -5.04 105.19 108.87 1t9a n GLY 468 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.20 4.94 0.83 1.61 1.04 -0.47 -5.08 113.70 113.37 1t9a s SER 469 Ca 0.00 0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 1t9a s SER 469 Cb 0.00 -1.00 0.09 0.00 0.10 0.00 0.00 66.02 65.21 1t9a s SER 469 CO 0.00 -1.47 1.13 -0.54 0.98 0.00 0.00 173.24 173.35 1t9a s LYS 470 N -5.09 1.82 0.26 4.02 1.02 -1.26 -4.80 119.74 115.71 1t9a s LYS 470 Ca 0.59 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.64 1t9a s LYS 470 Cb -0.10 -1.91 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1t9a s LYS 470 CO 0.43 -1.74 1.11 0.42 -0.92 0.00 0.00 175.35 174.65 1t9a s ILE 471 N -3.34 3.51 0.03 2.17 1.01 -1.26 -4.75 121.20 118.58 1t9a s ILE 471 Ca 0.62 1.47 -0.20 0.00 0.00 0.00 0.00 60.65 62.54 1t9a s ILE 471 Cb -0.13 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1t9a s ILE 471 CO 0.52 0.33 0.58 -0.54 0.00 0.00 0.00 174.94 175.83 1t9a s LYS 472 N -1.22 4.26 0.20 2.79 -0.14 -1.26 -0.72 119.74 123.65 1t9a s LYS 472 Ca 0.46 0.73 -0.11 0.00 -1.36 0.00 0.00 55.97 55.69 1t9a s LYS 472 Cb -0.32 -3.29 0.15 0.00 -1.68 0.00 0.00 37.83 32.68 1t9a s LYS 472 CO 0.40 0.50 1.87 -1.00 -0.76 0.00 0.00 175.35 176.36 1t9a h PRO 473 N 5.11 0.90 -0.85 -1.68 0.13 -1.95 -2.60 132.00 131.07 1t9a h PRO 473 Ca -0.47 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1t9a h PRO 473 Cb 1.21 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.08 1t9a h PRO 473 CO 0.67 0.60 0.56 1.96 -0.23 0.00 0.00 178.00 181.55 1t9a h GLN 474 N 0.93 0.98 -0.58 0.86 7.50 -1.95 -1.63 115.11 121.22 1t9a h GLN 474 Ca 0.26 -0.06 -0.02 0.00 0.50 0.00 0.00 58.65 59.34 1t9a h GLN 474 Cb -0.08 -0.22 -0.03 0.00 0.05 0.00 0.00 27.48 27.20 1t9a h GLN 474 CO -0.07 0.65 0.30 1.15 -1.50 0.00 0.00 178.83 179.36 1t9a h THR 475 N 1.01 1.20 -0.83 -0.54 2.02 -1.88 -2.10 112.91 111.78 1t9a h THR 475 Ca 0.35 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1t9a h THR 475 Cb 0.12 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1t9a h THR 475 CO -0.12 0.22 0.54 0.58 0.37 0.00 0.00 175.52 177.11 1t9a h VAL 476 N 0.79 1.14 -0.33 3.16 2.07 -1.09 -0.64 116.25 121.36 1t9a h VAL 476 Ca 0.20 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1t9a h VAL 476 Cb 0.07 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1t9a h VAL 476 CO -0.03 0.19 0.15 0.40 0.02 0.00 0.00 177.57 178.30 1t9a h ILE 477 N 1.05 1.17 -0.36 4.57 1.08 -1.07 -0.40 117.51 123.55 1t9a h ILE 477 Ca 0.33 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 1t9a h ILE 477 Cb -0.01 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1t9a h ILE 477 CO -0.11 0.18 0.15 0.11 -0.69 0.00 0.00 178.15 177.80 1t9a h LYS 478 N 0.39 0.53 0.05 2.37 1.57 -0.98 -0.82 116.57 119.68 1t9a h LYS 478 Ca 0.11 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1t9a h LYS 478 Cb 0.15 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1t9a h LYS 478 CO -0.01 0.50 -0.02 0.87 -0.57 0.00 0.00 179.45 180.22 1t9a h LYS 479 N 0.44 -0.06 -0.63 3.15 1.57 -1.01 -2.76 116.57 117.27 1t9a h LYS 479 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1t9a h LYS 479 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1t9a h LYS 479 CO -0.01 0.13 0.40 1.25 -0.57 0.00 0.00 179.45 180.65 1t9a h LEU 480 N -0.24 0.73 -0.77 2.94 5.85 -1.03 0.18 115.31 122.97 1t9a h LEU 480 Ca -0.01 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1t9a h LEU 480 Cb 0.22 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1t9a h LEU 480 CO 0.01 0.54 0.47 -1.28 -0.34 0.00 0.00 178.44 177.85 1t9a h SER 481 N 0.86 0.76 -0.01 1.25 0.87 -0.98 0.23 113.55 116.52 1t9a h SER 481 Ca 0.23 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1t9a h SER 481 Cb -0.07 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1t9a h SER 481 CO -0.05 0.50 -0.08 0.50 -0.53 0.00 0.00 176.83 177.18 1t9a h LYS 482 N 0.90 0.08 -0.88 2.24 3.11 -1.08 -2.50 116.57 118.44 1t9a h LYS 482 Ca 0.32 -0.06 0.04 0.00 -2.81 0.00 0.00 60.65 58.14 1t9a h LYS 482 Cb 0.10 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.29 1t9a h LYS 482 CO -0.14 0.73 0.57 0.28 -2.81 0.00 0.00 179.45 178.08 1t9a h VAL 483 N -0.56 1.13 -0.29 2.00 2.07 -0.76 -0.66 116.25 119.17 1t9a h VAL 483 Ca -0.01 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.98 1t9a h VAL 483 Cb 0.75 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1t9a h VAL 483 CO 0.02 0.20 -0.50 0.00 0.02 0.00 0.00 177.57 177.30 1t9a h ALA 484 N 1.50 0.57 -0.13 1.67 0.00 -0.61 -3.21 119.26 119.05 1t9a h ALA 484 Ca 0.35 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1t9a h ALA 484 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1t9a h ALA 484 CO -0.11 0.68 0.05 -0.97 0.00 0.00 0.00 179.25 178.90 1t9a h ASN 485 N 0.64 0.17 0.00 0.00 -1.24 -0.89 -2.56 115.58 111.69 1t9a h ASN 485 Ca 0.03 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1t9a h ASN 485 Cb 1.08 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.09 1t9a h ASN 485 CO 0.11 0.29 0.21 0.44 -1.29 0.00 0.00 177.43 177.19 1t9a h ASP 486 N 0.05 0.00 0.77 1.15 3.32 -1.15 0.11 116.42 120.67 1t9a h ASP 486 Ca 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1t9a h ASP 486 Cb 0.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1t9a h ASP 486 CO -0.00 0.00 -0.17 0.71 -1.72 0.00 0.00 179.24 178.06 1t9a h THR 487 N 0.00 0.48 0.00 0.35 1.35 -1.49 -3.46 112.91 110.14 1t9a h THR 487 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1t9a h THR 487 Cb 0.42 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1t9a h THR 487 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1t9a n GLY 488 N -0.11 2.99 3.94 5.82 0.00 0.39 -5.01 105.19 113.21 1t9a n GLY 488 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1t9a n GLY 488 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t9a s ARG 489 N -0.01 2.25 0.11 1.61 1.70 -1.26 -5.02 118.95 118.33 1t9a s ARG 489 Ca 0.00 -0.33 -0.31 0.00 -0.47 0.00 0.00 55.73 54.62 1t9a s ARG 489 Cb 0.00 -2.22 -0.08 0.00 -0.57 0.00 0.00 34.95 32.08 1t9a s ARG 489 CO 0.00 -1.16 1.41 -1.58 -1.08 0.00 0.00 175.30 172.89 1t9a s HIS 490 N -3.17 3.18 -0.14 5.89 5.65 -1.26 -4.89 115.29 120.55 1t9a s HIS 490 Ca 0.60 0.90 0.01 0.00 0.25 0.00 0.00 55.06 56.82 1t9a s HIS 490 Cb -0.11 -3.71 -0.00 0.00 -1.18 0.00 0.00 32.58 27.58 1t9a s HIS 490 CO 0.44 -2.50 -0.17 0.08 -0.65 0.00 0.00 174.74 171.93 1t9a s VAL 491 N 1.24 2.55 -0.07 0.89 1.01 -1.26 0.26 120.40 125.02 1t9a s VAL 491 Ca 0.65 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1t9a s VAL 491 Cb -0.37 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1t9a s VAL 491 CO 0.30 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 175.10 1t9a s ILE 492 N 0.63 2.53 -0.09 2.22 1.01 -0.48 -4.76 121.20 122.26 1t9a s ILE 492 Ca -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1t9a s ILE 492 Cb -0.16 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 1t9a s ILE 492 CO 0.03 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 174.60 1t9a s VAL 493 N -0.22 2.03 0.29 2.92 1.01 0.33 -0.80 120.40 125.97 1t9a s VAL 493 Ca -0.01 -1.02 0.11 0.00 0.00 0.00 0.00 61.98 61.07 1t9a s VAL 493 Cb -0.13 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1t9a s VAL 493 CO 0.03 0.56 -0.17 0.42 0.00 0.00 0.00 175.10 175.94 1t9a s THR 494 N 0.22 2.37 0.21 3.92 -4.23 0.52 0.14 115.64 118.79 1t9a s THR 494 Ca -0.15 -2.35 -0.09 0.00 -1.18 0.00 0.00 61.69 57.92 1t9a s THR 494 Cb -0.17 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 1t9a s THR 494 CO 0.08 -0.36 0.35 0.42 -0.54 0.00 0.00 174.62 174.56 1t9a s THR 495 N -2.57 0.02 0.00 3.99 -4.23 -1.20 -0.49 115.64 111.16 1t9a s THR 495 Ca 0.30 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1t9a s THR 495 Cb -0.03 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1t9a s THR 495 CO 0.15 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1t9a n GLY 496 N -0.31 1.26 3.22 3.99 0.00 -1.11 -2.43 105.19 109.81 1t9a n GLY 496 Ca -0.03 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 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 1.52 1.95 -4.13 1.61 1.01 -1.26 -4.65 120.40 116.45 1t9a s VAL 497 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1t9a s VAL 497 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.70 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 3.32 0.90 0.23 4.51 0.00 -1.26 -4.80 105.19 108.09 1t9a n GLY 498 Ca -0.19 -1.96 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 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 1.64 -0.15 -0.89 1.61 4.20 -1.96 0.20 115.11 119.77 1t9a h GLN 499 Ca 0.00 0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.93 1t9a h GLN 499 Cb 0.00 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1t9a h GLN 499 CO 0.00 -0.10 0.59 1.12 -0.67 0.00 0.00 178.83 179.77 1t9a h HIS 500 N -0.15 0.47 -0.29 2.96 2.07 -1.93 0.17 115.15 118.45 1t9a h HIS 500 Ca 0.16 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.63 1t9a h HIS 500 Cb 0.39 -0.14 -0.01 0.00 2.57 0.00 0.00 27.41 30.22 1t9a h HIS 500 CO -0.38 0.12 -0.06 0.37 -3.07 0.00 0.00 177.93 174.92 1t9a h GLN 501 N 0.35 0.56 -0.34 5.12 4.15 -1.24 -0.55 115.11 123.16 1t9a h GLN 501 Ca 0.46 -0.21 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 1t9a h GLN 501 Cb 1.21 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1t9a h GLN 501 CO -0.16 0.75 -0.19 0.52 -1.93 0.00 0.00 178.83 177.83 1t9a h MET 502 N 0.33 0.73 -0.28 1.69 2.86 -0.32 -2.05 114.93 117.90 1t9a h MET 502 Ca 0.08 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 1t9a h MET 502 Cb 0.53 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1t9a h MET 502 CO 0.03 0.94 -0.07 -1.49 1.06 0.00 0.00 176.91 177.38 1t9a h TRP 503 N 0.51 0.46 -0.60 -0.22 6.55 -0.75 -0.31 115.95 121.59 1t9a h TRP 503 Ca 0.07 -0.05 -0.10 0.00 0.95 0.00 0.00 58.89 59.76 1t9a h TRP 503 Cb 0.73 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.88 1t9a h TRP 503 CO 0.06 0.51 -0.03 0.00 -1.05 0.00 0.00 178.44 177.93 1t9a h ALA 504 N 1.52 0.81 -0.36 1.49 0.00 -0.91 -1.52 119.26 120.29 1t9a h ALA 504 Ca 0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1t9a h ALA 504 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1t9a h ALA 504 CO 0.02 0.68 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 1t9a h ALA 505 N 0.98 0.50 0.21 0.00 0.00 -0.63 -3.08 119.26 117.25 1t9a h ALA 505 Ca 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1t9a h ALA 505 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1t9a h ALA 505 CO 0.04 0.37 -0.10 1.96 0.00 0.00 0.00 179.25 181.51 1t9a h GLN 506 N 0.50 -0.28 -0.02 0.00 4.20 -1.01 -3.37 115.11 115.13 1t9a h GLN 506 Ca 0.09 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1t9a h GLN 506 Cb 0.62 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1t9a h GLN 506 CO 0.04 0.03 0.00 0.72 -0.67 0.00 0.00 178.83 178.95 1t9a n HIS 507 N -4.96 0.03 -4.02 2.96 8.25 -0.58 -4.82 115.22 112.08 1t9a n HIS 507 Ca -0.06 -0.01 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 1t9a n HIS 507 Cb 0.22 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.97 3.30 -0.54 4.41 -0.11 -1.16 -4.16 118.94 118.71 1t9a s TRP 508 Ca 0.20 0.15 -0.17 0.00 1.22 0.00 0.00 56.10 57.50 1t9a s TRP 508 Cb 0.09 -1.68 0.11 0.00 -1.50 0.00 0.00 33.47 30.49 1t9a s TRP 508 CO 0.15 0.55 0.53 0.99 -4.62 0.00 0.00 176.95 174.55 1t9a s THR 509 N -1.39 5.12 -0.07 5.86 2.01 -1.26 -4.97 115.64 120.94 1t9a s THR 509 Ca 0.30 -1.25 -0.24 0.00 0.31 0.00 0.00 61.69 60.80 1t9a s THR 509 Cb -0.12 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1t9a s THR 509 CO 0.22 -0.86 0.75 0.26 -0.69 0.00 0.00 174.62 174.30 1t9a s TRP 510 N 1.89 3.57 0.00 4.92 0.52 -1.26 -4.88 118.94 123.70 1t9a s TRP 510 Ca 0.06 1.31 0.00 0.00 0.02 0.00 0.00 56.10 57.48 1t9a s TRP 510 Cb -0.27 -2.86 0.00 0.00 -1.15 0.00 0.00 33.47 29.19 1t9a s TRP 510 CO 0.05 0.05 0.00 0.54 0.02 0.00 0.00 176.95 177.60 1t9a n ARG 511 N 3.92 2.75 -5.05 4.98 1.74 -1.26 -1.65 116.66 122.09 1t9a n ARG 511 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1t9a n ARG 511 Cb 0.51 -0.23 -0.14 0.00 -1.02 0.00 0.00 32.46 31.58 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 0.00 3.64 0.55 0.55 0.02 -1.25 -4.48 114.94 113.97 1t9a s ASN 512 Ca 0.00 -0.31 -0.18 0.00 -1.02 0.00 0.00 52.86 51.35 1t9a s ASN 512 Cb 0.00 -0.68 -0.05 0.00 0.02 0.00 0.00 41.25 40.54 1t9a s ASN 512 CO 0.00 0.33 1.08 -2.84 0.02 0.00 0.00 177.10 175.69 1t9a s PRO 513 N -0.65 3.40 -1.48 -0.60 0.02 0.08 -3.79 135.00 131.98 1t9a s PRO 513 Ca 0.10 1.42 -0.07 0.00 0.02 0.00 0.00 61.00 62.48 1t9a s PRO 513 Cb -0.11 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.40 1t9a s PRO 513 CO 0.00 -0.77 0.80 0.72 -0.33 0.00 0.00 177.00 177.42 1t9a n HIS 514 N -1.50 -2.27 0.08 6.54 8.25 -1.26 -4.88 115.22 120.18 1t9a n HIS 514 Ca 0.10 0.69 0.01 0.00 -0.26 0.00 0.00 57.72 58.26 1t9a n HIS 514 Cb 0.52 -4.55 0.01 0.00 1.12 0.00 0.00 29.99 27.08 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 -4.65 0.00 -3.92 1.59 -2.24 -1.25 -4.75 114.28 99.07 1t9a n THR 515 Ca -0.06 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.92 1t9a n THR 515 Cb 0.59 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.30 2.38 -0.40 4.78 5.36 -1.26 0.12 117.98 128.66 1t9a s PHE 516 Ca 0.02 -1.82 -0.03 0.00 -0.96 0.00 0.00 56.93 54.14 1t9a s PHE 516 Cb 0.02 -1.68 0.11 0.00 -0.34 0.00 0.00 43.02 41.12 1t9a s PHE 516 CO 0.03 -0.79 0.19 0.42 -1.46 0.00 0.00 175.22 173.61 1t9a s ILE 517 N 1.40 3.25 0.07 3.12 1.01 0.12 -4.98 121.20 125.18 1t9a s ILE 517 Ca -0.03 -2.02 0.02 0.00 0.00 0.00 0.00 60.65 58.63 1t9a s ILE 517 Cb -0.19 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1t9a s ILE 517 CO -0.08 -0.65 -0.07 0.28 0.00 0.00 0.00 174.94 174.41 1t9a s THR 518 N 1.14 0.61 -0.44 2.92 -1.32 -1.26 -3.26 115.64 114.03 1t9a s THR 518 Ca 0.08 -1.43 -0.23 0.00 -1.21 0.00 0.00 61.69 58.90 1t9a s THR 518 Cb -0.22 -1.05 0.02 0.00 -1.51 0.00 0.00 72.50 69.74 1t9a s THR 518 CO -0.04 -0.58 0.76 -0.55 -2.21 0.00 0.00 174.62 172.00 1t9a s SER 519 N -2.17 6.40 -0.15 8.08 0.15 -1.26 -4.91 113.70 119.84 1t9a s SER 519 Ca -0.01 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.48 1t9a s SER 519 Cb -0.04 -2.37 -0.08 0.00 -1.71 0.00 0.00 66.02 61.82 1t9a s SER 519 CO -0.02 -0.87 -0.17 0.61 1.20 0.00 0.00 173.24 173.99 1t9a n GLY 520 N 4.96 -0.22 0.45 9.45 0.00 -1.26 -3.95 105.19 114.60 1t9a n GLY 520 Ca 0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 0.14 -1.15 1.57 -0.02 0.00 -1.91 -3.31 103.07 98.40 1t9a h GLY 521 Ca -0.36 0.43 -0.22 0.00 0.00 0.00 0.00 47.33 47.18 1t9a h GLY 521 CO -0.16 -0.42 -1.20 -2.00 0.00 0.00 0.00 176.54 172.76 1t9a h LEU 522 N -1.29 0.00 -2.47 3.11 5.85 -1.87 -3.49 115.31 115.15 1t9a h LEU 522 Ca -0.11 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 1t9a h LEU 522 Cb 0.85 0.00 0.13 0.00 0.37 0.00 0.00 40.66 42.01 1t9a h LEU 522 CO 0.19 0.88 -0.57 0.61 -0.34 0.00 0.00 178.44 179.21 1t9a n GLY 523 N 1.40 -1.05 3.55 3.75 0.00 -1.25 -4.95 105.19 106.65 1t9a n GLY 523 Ca -0.06 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.26 4.59 0.50 2.61 2.01 -1.26 -4.94 115.64 115.88 1t9a s THR 524 Ca 0.31 0.56 -0.23 0.00 0.31 0.00 0.00 61.69 62.63 1t9a s THR 524 Cb -0.04 -4.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 1t9a s THR 524 CO 0.68 -0.75 1.33 -0.04 -0.69 0.00 0.00 174.62 175.15 1t9a s MET 525 N 3.45 3.42 0.00 4.92 -1.94 -1.26 -2.57 119.30 125.32 1t9a s MET 525 Ca 0.33 2.18 0.00 0.00 -1.71 0.00 0.00 55.69 56.49 1t9a s MET 525 Cb -0.11 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.32 1t9a s MET 525 CO 0.24 -0.95 0.00 0.41 -0.01 0.00 0.00 175.02 174.71 1t9a n GLY 526 N 0.65 0.72 0.22 -0.03 0.00 -1.10 -4.89 105.19 100.75 1t9a n GLY 526 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.74 -0.21 1.61 3.20 -1.75 -3.39 116.97 117.17 1t9a h TYR 527 Ca 0.00 -0.26 0.02 0.00 3.14 0.00 0.00 58.73 61.63 1t9a h TYR 527 Cb 0.00 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1t9a h TYR 527 CO 0.00 1.00 -0.14 0.78 -1.64 0.00 0.00 178.16 178.16 1t9a h GLY 528 N 1.02 -2.19 0.83 1.82 0.00 -1.77 -1.02 103.07 101.76 1t9a h GLY 528 Ca 0.01 1.04 -0.03 0.00 0.00 0.00 0.00 47.33 48.35 1t9a h GLY 528 CO 0.10 -0.75 -0.44 -2.00 0.00 0.00 0.00 176.54 173.45 1t9a h LEU 529 N -0.02 -1.11 -1.41 3.11 5.85 -1.89 -0.75 115.31 119.09 1t9a h LEU 529 Ca 0.03 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1t9a h LEU 529 Cb 0.11 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1t9a h LEU 529 CO -0.21 -0.68 0.42 1.55 -0.34 0.00 0.00 178.44 179.18 1t9a h PRO 530 N -1.09 0.75 -0.48 5.25 0.13 -1.75 -1.19 132.00 133.62 1t9a h PRO 530 Ca -0.09 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1t9a h PRO 530 Cb 0.88 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1t9a h PRO 530 CO 0.10 0.50 0.19 0.00 -0.23 0.00 0.00 178.00 178.56 1t9a h ALA 531 N 1.62 0.62 -0.21 -0.56 0.00 -1.04 -0.97 119.26 118.72 1t9a h ALA 531 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1t9a h ALA 531 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1t9a h ALA 531 CO -0.07 0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.51 1t9a h ALA 532 N 1.04 0.25 -0.87 0.00 0.00 -0.41 0.60 119.26 119.88 1t9a h ALA 532 Ca 0.16 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1t9a h ALA 532 Cb 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1t9a h ALA 532 CO -0.01 -0.31 0.55 0.82 0.00 0.00 0.00 179.25 180.29 1t9a h ILE 533 N 0.22 1.08 -0.59 0.00 2.04 -0.99 0.25 117.51 119.51 1t9a h ILE 533 Ca 0.09 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1t9a h ILE 533 Cb 0.03 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 1t9a h ILE 533 CO -0.06 0.19 -0.00 1.23 0.00 0.00 0.00 178.15 179.50 1t9a h GLY 534 N 1.02 1.13 1.00 5.37 0.00 -0.57 -2.41 103.07 108.61 1t9a h GLY 534 Ca 0.37 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1t9a h GLY 534 CO -0.15 0.76 -0.04 0.00 0.00 0.00 0.00 176.54 177.11 1t9a h ALA 535 N 0.98 0.61 0.00 3.60 0.00 -0.01 -2.41 119.26 122.04 1t9a h ALA 535 Ca 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1t9a h ALA 535 Cb 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1t9a h ALA 535 CO 0.03 0.45 -0.08 0.37 0.00 0.00 0.00 179.25 180.02 1t9a h GLN 536 N 0.67 0.00 -0.10 0.00 5.75 -0.42 0.90 115.11 121.91 1t9a h GLN 536 Ca 0.12 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.43 1t9a h GLN 536 Cb 0.56 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 1t9a h GLN 536 CO 0.03 0.08 -0.74 0.28 -2.65 0.00 0.00 178.83 175.82 1t9a h VAL 537 N 0.00 1.35 -0.33 2.39 2.07 -1.08 -2.46 116.25 118.20 1t9a h VAL 537 Ca -0.00 -2.09 -0.17 0.00 0.82 0.00 0.00 66.70 65.26 1t9a h VAL 537 Cb 0.14 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1t9a h VAL 537 CO 0.01 0.64 -0.47 0.00 0.02 0.00 0.00 177.57 177.77 1t9a h ALA 538 N 0.83 0.54 -2.74 1.67 0.00 -0.72 -3.36 119.26 115.48 1t9a h ALA 538 Ca -0.04 -0.49 -0.61 0.00 0.00 0.00 0.00 54.91 53.78 1t9a h ALA 538 Cb 1.33 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.62 1t9a h ALA 538 CO 0.14 0.68 -0.70 1.63 0.00 0.00 0.00 179.25 181.00 1t9a n LYS 539 N -4.03 1.49 -0.27 0.00 4.76 0.18 -4.90 118.16 115.40 1t9a n LYS 539 Ca -0.03 -4.15 0.18 0.00 -2.87 0.00 0.00 58.31 51.44 1t9a n LYS 539 Cb 0.59 -2.08 0.47 0.00 -1.84 0.00 0.00 35.03 32.16 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 5.20 0.47 0.00 1.97 0.11 -1.60 -1.60 132.00 136.55 1t9a h PRO 540 Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1t9a h PRO 540 Cb 0.78 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1t9a h PRO 540 CO 0.64 0.31 -0.05 0.39 -0.21 0.00 0.00 178.00 179.08 1t9a n GLU 541 N -4.56 0.24 -2.18 1.05 -0.58 -1.26 -4.90 120.64 108.45 1t9a n GLU 541 Ca 0.20 0.19 -0.32 0.00 -0.42 0.00 0.00 57.16 56.81 1t9a n GLU 541 Cb 0.67 -1.77 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1t9a n GLU 541 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1t9a s SER 542 N -4.37 6.37 -0.50 1.62 0.01 -0.60 -4.72 113.70 111.51 1t9a s SER 542 Ca 0.11 1.56 -0.20 0.00 1.31 0.00 0.00 55.95 58.72 1t9a s SER 542 Cb 0.13 -2.50 0.05 0.00 0.21 0.00 0.00 66.02 63.91 1t9a s SER 542 CO 0.60 -0.77 0.67 -0.22 0.41 0.00 0.00 173.24 173.94 1t9a s LEU 543 N -4.48 4.74 -0.25 2.44 2.96 0.14 -4.97 118.68 119.25 1t9a s LEU 543 Ca 0.58 -0.70 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 1t9a s LEU 543 Cb -0.11 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1t9a s LEU 543 CO 0.39 -0.91 0.23 -0.69 -1.32 0.00 0.00 176.35 174.06 1t9a s VAL 544 N 2.85 5.29 -0.10 1.68 1.01 -1.26 -1.38 120.40 128.49 1t9a s VAL 544 Ca 0.19 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1t9a s VAL 544 Cb -0.17 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1t9a s VAL 544 CO 0.14 0.27 -0.23 -0.63 0.00 0.00 0.00 175.10 174.66 1t9a s ILE 545 N 1.47 2.18 -0.39 2.22 1.01 0.02 -1.34 121.20 126.37 1t9a s ILE 545 Ca 0.10 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1t9a s ILE 545 Cb -0.15 -1.84 0.06 0.00 0.01 0.00 0.00 42.46 40.55 1t9a s ILE 545 CO 0.08 0.56 0.21 -0.62 0.00 0.00 0.00 174.94 175.17 1t9a s ASP 546 N 0.30 5.55 -0.53 3.58 2.15 0.12 -0.36 116.67 127.49 1t9a s ASP 546 Ca -0.17 -1.38 -0.22 0.00 0.43 0.00 0.00 52.55 51.21 1t9a s ASP 546 Cb -0.17 -1.95 0.05 0.00 -0.30 0.00 0.00 42.92 40.54 1t9a s ASP 546 CO 0.08 -0.47 0.82 -0.63 -0.17 0.00 0.00 175.17 174.81 1t9a s ILE 547 N 1.42 4.58 0.39 4.11 1.01 0.36 -0.36 121.20 132.70 1t9a s ILE 547 Ca 0.02 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.77 1t9a s ILE 547 Cb -0.22 -4.44 -0.06 0.00 0.01 0.00 0.00 42.46 37.75 1t9a s ILE 547 CO 0.03 -0.98 0.07 -0.62 0.00 0.00 0.00 174.94 173.43 1t9a s ASP 548 N 2.74 4.14 0.22 3.58 -1.08 0.12 -2.73 116.67 123.65 1t9a s ASP 548 Ca 0.25 -1.17 0.07 0.00 -0.52 0.00 0.00 52.55 51.18 1t9a s ASP 548 Cb -0.15 -0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 40.82 1t9a s ASP 548 CO 0.17 -0.42 0.12 -0.83 0.52 0.00 0.00 175.17 174.72 1t9a s GLY 549 N -3.78 1.57 0.15 2.66 0.00 -1.26 -1.41 107.32 105.25 1t9a s GLY 549 Ca 0.37 -1.41 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 1t9a s GLY 549 CO 0.20 -1.44 1.71 1.29 0.00 0.00 0.00 173.10 174.86 1t9a h ASP 550 N 1.95 0.61 -0.50 1.64 2.03 -1.86 -0.59 116.42 119.70 1t9a h ASP 550 Ca -0.47 -0.15 -0.08 0.00 -0.73 0.00 0.00 57.03 55.60 1t9a h ASP 550 Cb 1.23 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.55 1t9a h ASP 550 CO 0.61 0.59 0.00 0.00 -1.03 0.00 0.00 179.24 179.41 1t9a h ALA 551 N 1.05 0.67 -0.48 4.15 0.00 -1.94 -2.35 119.26 120.36 1t9a h ALA 551 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1t9a h ALA 551 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1t9a h ALA 551 CO -0.02 0.48 0.22 0.77 0.00 0.00 0.00 179.25 180.70 1t9a h SER 552 N 0.74 0.64 -0.56 0.00 0.02 -1.84 -2.92 113.55 109.63 1t9a h SER 552 Ca 0.14 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1t9a h SER 552 Cb 0.51 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1t9a h SER 552 CO 0.03 0.60 0.29 0.15 -1.14 0.00 0.00 176.83 176.75 1t9a h PHE 553 N 0.63 0.53 -0.63 3.45 3.57 -0.97 -2.33 116.94 121.19 1t9a h PHE 553 Ca 0.16 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.83 1t9a h PHE 553 Cb 0.14 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1t9a h PHE 553 CO -0.00 0.25 0.43 -0.91 -2.23 0.00 0.00 178.31 175.85 1t9a h ASN 554 N 0.55 0.20 -0.68 0.41 4.21 -1.23 -0.91 115.58 118.13 1t9a h ASN 554 Ca 0.25 0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.82 1t9a h ASN 554 Cb 0.15 -0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 37.27 1t9a h ASN 554 CO -0.17 0.10 0.39 0.24 -1.29 0.00 0.00 177.43 176.71 1t9a h MET 555 N 0.21 0.70 0.00 0.81 2.86 -1.41 -3.31 114.93 114.79 1t9a h MET 555 Ca 0.30 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1t9a h MET 555 Cb 0.90 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1t9a h MET 555 CO -0.06 0.46 -0.27 0.25 1.06 0.00 0.00 176.91 178.36 1t9a n THR 556 N -4.76 1.03 0.00 2.22 -2.24 -1.04 -4.85 114.28 104.64 1t9a n THR 556 Ca 0.08 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 1t9a n THR 556 Cb 0.16 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1t9a n THR 556 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t9a n LEU 557 N -0.75 0.00 0.24 3.22 -0.00 -0.37 -1.54 117.00 117.81 1t9a n LEU 557 Ca 0.09 0.40 0.16 0.00 -0.00 0.00 0.00 56.01 56.65 1t9a n LEU 557 Cb 0.68 -0.40 0.59 0.00 -0.00 0.00 0.00 43.42 44.29 1t9a n LEU 557 CO 0.00 -0.40 0.95 0.00 -0.00 0.00 0.00 177.39 177.94 1t9a h THR 558 N 0.00 0.00 0.00 1.47 1.03 -1.88 -2.83 112.91 110.70 1t9a h THR 558 Ca 0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 1t9a h THR 558 Cb 0.19 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 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 -2.92 0.71 -0.30 0.00 -0.58 -0.59 -3.23 120.64 113.73 1t9a n GLU 559 Ca 0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.71 1t9a n GLU 559 Cb 0.32 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.00 -1.49 -4.62 3.38 -1.74 -1.13 115.31 110.72 1t9a h LEU 560 Ca 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1t9a h LEU 560 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1t9a h LEU 560 CO 0.00 0.79 -0.19 0.77 0.09 0.00 0.00 178.44 179.90 1t9a h SER 561 N 1.14 0.00 -0.04 -0.43 4.64 -1.74 -2.47 113.55 114.65 1t9a h SER 561 Ca 0.29 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.44 1t9a h SER 561 Cb -0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1t9a h SER 561 CO -0.05 0.19 -0.57 0.28 -0.87 0.00 0.00 176.83 175.80 1t9a h SER 562 N 0.00 0.71 -0.59 4.97 0.02 -1.42 -1.73 113.55 115.51 1t9a h SER 562 Ca -0.00 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1t9a h SER 562 Cb 0.56 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1t9a h SER 562 CO 0.02 1.13 0.39 0.00 -1.14 0.00 0.00 176.83 177.23 1t9a h ALA 563 N 0.88 0.75 -0.52 3.77 0.00 -0.91 0.25 119.26 123.48 1t9a h ALA 563 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1t9a h ALA 563 Cb 1.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1t9a h ALA 563 CO 0.11 0.18 0.06 0.28 0.00 0.00 0.00 179.25 179.88 1t9a h VAL 564 N 0.80 1.26 0.00 0.00 2.07 -1.35 -1.35 116.25 117.67 1t9a h VAL 564 Ca 0.22 -0.99 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 1t9a h VAL 564 Cb -0.09 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1t9a h VAL 564 CO -0.05 0.35 -0.50 -0.61 0.02 0.00 0.00 177.57 176.78 1t9a h GLN 565 N 0.76 0.00 0.00 1.57 4.15 -0.91 -2.96 115.11 117.71 1t9a h GLN 565 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1t9a h GLN 565 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1t9a h GLN 565 CO 0.01 0.50 -0.25 0.00 -1.93 0.00 0.00 178.83 177.17 1t9a n ALA 566 N -2.38 2.66 -2.10 3.38 0.00 0.83 -4.94 120.51 117.96 1t9a n ALA 566 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 1t9a n ALA 566 Cb 0.55 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.39 0.14 3.39 0.00 0.00 -0.60 -5.01 105.19 104.51 1t9a n GLY 567 Ca 0.05 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.29 5.12 0.00 2.61 -4.23 -0.69 -4.97 115.64 111.18 1t9a s THR 568 Ca 0.00 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1t9a s THR 568 Cb 0.00 -4.00 -0.17 0.00 1.34 0.00 0.00 72.50 69.67 1t9a s THR 568 CO 0.00 -0.49 2.57 -0.81 -0.54 0.00 0.00 174.62 175.35 1t9a n PRO 569 N 5.16 1.33 -1.87 3.99 -0.04 -1.26 -4.40 135.00 137.90 1t9a n PRO 569 Ca -0.12 -0.63 -0.35 0.00 -0.04 0.00 0.00 63.50 62.35 1t9a n PRO 569 Cb 0.44 -1.79 0.05 0.00 -0.04 0.00 0.00 33.50 32.17 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 1.52 2.63 -0.32 0.52 -7.23 -1.26 -4.31 120.40 111.95 1t9a s VAL 570 Ca 0.43 0.37 -0.06 0.00 -1.81 0.00 0.00 61.98 60.90 1t9a s VAL 570 Cb 0.20 -3.07 0.03 0.00 0.56 0.00 0.00 36.38 34.11 1t9a s VAL 570 CO 0.00 -0.11 0.09 -0.54 -0.31 0.00 0.00 175.10 174.23 1t9a s LYS 571 N -3.53 2.78 -0.33 4.82 3.01 -0.45 -1.67 119.74 124.37 1t9a s LYS 571 Ca 0.76 -1.07 -0.14 0.00 -1.01 0.00 0.00 55.97 54.51 1t9a s LYS 571 Cb -0.29 -3.41 -0.02 0.00 -1.01 0.00 0.00 37.83 33.10 1t9a s LYS 571 CO 0.36 -0.58 0.28 0.42 0.51 0.00 0.00 175.35 176.34 1t9a s ILE 572 N 1.43 5.24 -0.18 2.17 -1.09 0.62 -0.70 121.20 128.69 1t9a s ILE 572 Ca -0.00 -0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.33 1t9a s ILE 572 Cb -0.19 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1t9a s ILE 572 CO 0.02 0.00 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.51 1t9a s LEU 573 N 1.85 3.29 -0.27 2.97 2.96 0.51 -0.56 118.68 129.42 1t9a s LEU 573 Ca 0.09 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1t9a s LEU 573 Cb -0.17 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.75 1t9a s LEU 573 CO 0.11 0.10 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.56 1t9a s ILE 574 N 0.76 2.65 -0.78 6.68 1.01 -0.38 0.13 121.20 131.26 1t9a s ILE 574 Ca -0.00 -1.39 -0.22 0.00 0.00 0.00 0.00 60.65 59.03 1t9a s ILE 574 Cb -0.14 -2.49 0.07 0.00 0.01 0.00 0.00 42.46 39.92 1t9a s ILE 574 CO 0.02 0.00 1.12 -0.76 0.00 0.00 0.00 174.94 175.32 1t9a s LEU 575 N 1.21 4.22 -0.41 2.97 1.43 -0.50 -1.15 118.68 126.46 1t9a s LEU 575 Ca -0.05 -1.20 -0.21 0.00 -1.03 0.00 0.00 54.13 51.63 1t9a s LEU 575 Cb -0.19 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1t9a s LEU 575 CO -0.04 -1.43 0.67 0.21 0.23 0.00 0.00 176.35 176.00 1t9a s ASN 576 N 3.86 6.39 0.00 2.29 2.47 -0.68 -3.84 114.94 125.43 1t9a s ASN 576 Ca 0.30 -0.09 0.03 0.00 0.42 0.00 0.00 52.86 53.52 1t9a s ASN 576 Cb -0.10 -2.34 0.09 0.00 -1.45 0.00 0.00 41.25 37.45 1t9a s ASN 576 CO 0.04 -0.74 1.06 -0.46 -3.72 0.00 0.00 177.10 173.28 1t9a n ASN 577 N 6.28 2.26 -4.03 -4.21 0.23 -1.26 -1.63 115.26 112.89 1t9a n ASN 577 Ca -0.00 -1.97 -0.29 0.00 -0.53 0.00 0.00 54.58 51.79 1t9a n ASN 577 Cb 0.48 -0.07 -0.02 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.17 -3.33 -3.80 -3.83 1.02 -1.26 -4.80 120.64 104.47 1t9a n GLU 578 Ca 0.04 0.40 -0.04 0.00 -0.02 0.00 0.00 57.16 57.53 1t9a n GLU 578 Cb 0.30 -4.71 -0.00 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 -6.67 1.37 -1.14 3.49 -1.05 -1.26 -4.54 118.70 108.89 1t9a s GLU 579 Ca 0.23 -0.81 -0.08 0.00 -0.15 0.00 0.00 54.97 54.17 1t9a s GLU 579 Cb -0.12 0.43 0.26 0.00 -0.44 0.00 0.00 34.13 34.26 1t9a s GLU 579 CO 0.90 -0.63 1.40 1.04 0.95 0.00 0.00 175.26 178.92 1t9a n GLN 580 N -0.54 3.91 -0.21 -4.83 6.02 -0.51 -4.44 117.38 116.79 1t9a n GLN 580 Ca -0.05 -4.30 -0.05 0.00 -0.01 0.00 0.00 57.00 52.58 1t9a n GLN 580 Cb 0.60 -2.65 -0.05 0.00 1.02 0.00 0.00 30.24 29.17 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 2.33 -1.97 0.36 1.08 0.00 -1.26 -1.06 105.19 104.68 1t9a n GLY 581 Ca 0.28 0.72 0.09 0.00 0.00 0.00 0.00 46.02 47.11 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 0.72 0.05 1.61 1.85 -1.92 0.04 114.93 117.28 1t9a h MET 582 Ca 0.08 -0.04 -0.20 0.00 -0.61 0.00 0.00 59.70 58.93 1t9a h MET 582 Cb 0.20 -0.16 0.02 0.00 0.43 0.00 0.00 31.60 32.09 1t9a h MET 582 CO -0.46 0.47 -0.80 0.28 -0.40 0.00 0.00 176.91 176.00 1t9a h VAL 583 N 0.74 1.41 -0.19 -5.77 2.07 -1.60 -2.86 116.25 110.04 1t9a h VAL 583 Ca 0.37 -2.26 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 1t9a h VAL 583 Cb 0.44 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1t9a h VAL 583 CO -0.14 0.66 -0.07 0.71 0.02 0.00 0.00 177.57 178.75 1t9a h THR 584 N -0.06 1.17 -0.39 2.57 1.35 -0.75 0.15 112.91 116.96 1t9a h THR 584 Ca -0.11 -0.69 -0.03 0.00 -0.55 0.00 0.00 66.41 65.03 1t9a h THR 584 Cb 1.52 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 1t9a h THR 584 CO 0.15 0.22 0.14 -0.61 -0.25 0.00 0.00 175.52 175.18 1t9a h GLN 585 N 0.29 0.59 -0.20 4.72 4.15 -1.01 0.25 115.11 123.89 1t9a h GLN 585 Ca 0.06 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 1t9a h GLN 585 Cb 0.31 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1t9a h GLN 585 CO 0.01 0.58 -0.32 -1.49 -1.93 0.00 0.00 178.83 175.69 1t9a h TRP 586 N 0.48 0.46 0.00 3.99 4.06 -1.10 -0.63 115.95 123.21 1t9a h TRP 586 Ca 0.13 -0.11 -0.09 0.00 2.06 0.00 0.00 58.89 60.88 1t9a h TRP 586 Cb 0.22 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1t9a h TRP 586 CO 0.00 0.68 -0.42 1.96 -3.56 0.00 0.00 178.44 177.10 1t9a h GLN 587 N 0.35 0.00 0.02 0.49 4.20 -0.27 0.14 115.11 120.04 1t9a h GLN 587 Ca 0.05 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 1t9a h GLN 587 Cb 0.73 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.53 1t9a h GLN 587 CO 0.06 0.42 -0.61 0.77 -0.67 0.00 0.00 178.83 178.79 1t9a h SER 588 N 0.00 0.51 0.04 1.46 0.02 0.02 -1.12 113.55 114.49 1t9a h SER 588 Ca -0.00 -0.78 -0.15 0.00 -0.84 0.00 0.00 61.79 60.01 1t9a h SER 588 Cb 0.90 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1t9a h SER 588 CO 0.05 1.23 -0.60 -0.07 -1.14 0.00 0.00 176.83 176.31 1t9a h LEU 589 N -0.15 0.46 0.00 5.07 3.38 -1.05 -3.32 115.31 119.69 1t9a h LEU 589 Ca -0.08 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1t9a h LEU 589 Cb 1.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1t9a h LEU 589 CO 0.12 1.23 -0.64 0.49 0.09 0.00 0.00 178.44 179.73 1t9a n PHE 590 N -4.24 0.00 -2.28 1.13 3.01 0.47 -4.69 117.46 110.86 1t9a n PHE 590 Ca -0.11 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.17 1t9a n PHE 590 Cb 0.68 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 40.16 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 -1.33 2.41 -4.29 1.38 4.02 -0.85 -5.00 117.16 113.51 1t9a n TYR 591 Ca 0.02 -2.31 -0.31 0.00 -0.01 0.00 0.00 57.90 55.28 1t9a n TYR 591 Cb 0.20 -0.29 -0.09 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 -0.64 -0.91 -3.31 -0.72 1.02 -1.18 -1.32 120.64 113.58 1t9a n GLU 592 Ca 0.34 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 57.33 1t9a n GLU 592 Cb 0.89 -3.48 0.01 0.00 -0.02 0.00 0.00 31.44 28.84 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 -4.57 -1.92 -3.18 -0.32 8.25 -0.48 -4.92 115.22 108.08 1t9a n HIS 593 Ca -0.32 0.54 -0.46 0.00 -0.26 0.00 0.00 57.72 57.22 1t9a n HIS 593 Cb 0.69 -3.59 -0.02 0.00 1.12 0.00 0.00 29.99 28.18 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 -5.97 3.59 -1.06 -0.41 0.52 -0.43 -4.80 118.95 110.37 1t9a s ARG 594 Ca 0.40 -2.19 -0.22 0.00 -0.52 0.00 0.00 55.73 53.19 1t9a s ARG 594 Cb -0.20 -4.60 0.05 0.00 0.52 0.00 0.00 34.95 30.72 1t9a s ARG 594 CO 0.49 -1.47 1.52 0.71 0.02 0.00 0.00 175.30 176.57 1t9a s TYR 595 N 1.10 2.54 -0.78 -0.53 1.51 -1.26 -4.92 117.35 115.01 1t9a s TYR 595 Ca 0.23 -0.91 -0.22 0.00 -1.01 0.00 0.00 57.07 55.16 1t9a s TYR 595 Cb -0.09 -4.68 0.08 0.00 -0.11 0.00 0.00 41.96 37.17 1t9a s TYR 595 CO -0.09 -1.91 1.09 0.45 -1.11 0.00 0.00 175.55 173.99 1t9a s SER 596 N 4.98 6.34 -1.29 2.29 0.15 -1.26 -4.39 113.70 120.52 1t9a s SER 596 Ca 0.48 -1.30 -0.08 0.00 0.70 0.00 0.00 55.95 55.76 1t9a s SER 596 Cb 0.00 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1t9a s SER 596 CO -0.06 -1.38 1.12 1.41 1.20 0.00 0.00 173.24 175.53 1t9a n HIS 597 N 7.65 -2.71 -0.57 3.44 8.25 -1.26 -4.92 115.22 125.10 1t9a n HIS 597 Ca 0.09 0.97 0.07 0.00 -0.26 0.00 0.00 57.72 58.59 1t9a n HIS 597 Cb 0.47 -4.88 0.22 0.00 1.12 0.00 0.00 29.99 26.93 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 -4.83 1.63 -3.91 1.59 -2.24 -1.26 -4.87 114.28 100.40 1t9a n THR 598 Ca -0.02 -1.39 -0.31 0.00 -2.27 0.00 0.00 64.05 60.07 1t9a n THR 598 Cb 0.57 0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.85 2.93 0.25 4.78 3.76 -1.26 -1.42 115.29 122.47 1t9a s HIS 599 Ca 0.34 -2.48 -0.11 0.00 -0.15 0.00 0.00 55.06 52.66 1t9a s HIS 599 Cb 0.24 -2.41 -0.08 0.00 1.11 0.00 0.00 32.58 31.44 1t9a s HIS 599 CO 0.14 -0.92 0.60 1.14 -0.85 0.00 0.00 174.74 174.85 1t9a s GLN 600 N 1.19 3.87 -0.35 1.40 1.03 -1.26 -5.04 119.66 120.50 1t9a s GLN 600 Ca 0.10 0.39 -0.28 0.00 0.04 0.00 0.00 55.36 55.61 1t9a s GLN 600 Cb -0.18 -2.62 0.02 0.00 0.03 0.00 0.00 33.01 30.26 1t9a s GLN 600 CO -0.15 0.29 1.05 -1.17 -2.54 0.00 0.00 175.29 172.78 1t9a s LEU 601 N -2.79 3.90 0.28 2.60 2.96 -1.26 -4.83 118.68 119.55 1t9a s LEU 601 Ca 0.48 0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 55.13 1t9a s LEU 601 Cb -0.11 -3.48 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1t9a s LEU 601 CO 0.20 -0.93 0.67 0.20 -1.32 0.00 0.00 176.35 175.18 1t9a s ASN 602 N 1.81 6.75 0.94 3.68 0.02 -1.26 -5.09 114.94 121.80 1t9a s ASN 602 Ca 0.44 1.18 -0.11 0.00 -1.02 0.00 0.00 52.86 53.35 1t9a s ASN 602 Cb -0.11 -2.33 0.17 0.00 0.02 0.00 0.00 41.25 39.00 1t9a s ASN 602 CO 0.18 -0.14 1.05 -0.81 0.02 0.00 0.00 177.10 177.41 1t9a n PRO 603 N -0.17 -0.88 -2.78 -0.60 -0.04 -1.26 -4.96 135.00 124.30 1t9a n PRO 603 Ca 0.02 -1.80 -0.43 0.00 -0.04 0.00 0.00 63.50 61.25 1t9a n PRO 603 Cb 0.53 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.92 1t9a n PRO 603 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1t9a s ASP 604 N -4.91 6.41 0.38 3.54 -1.08 -1.26 -4.90 116.67 114.86 1t9a s ASP 604 Ca 0.61 -0.11 0.05 0.00 -0.52 0.00 0.00 52.55 52.58 1t9a s ASP 604 Cb -0.02 -2.46 0.75 0.00 -1.46 0.00 0.00 42.92 39.73 1t9a s ASP 604 CO 0.42 -1.22 2.04 -0.26 0.52 0.00 0.00 175.17 176.67 1t9a h PHE 605 N 9.28 0.65 -0.03 -5.34 0.05 -1.98 0.15 116.94 119.72 1t9a h PHE 605 Ca -0.25 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.53 1t9a h PHE 605 Cb 1.07 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 38.80 1t9a h PHE 605 CO 0.92 0.41 -0.08 0.82 -0.18 0.00 0.00 178.31 180.20 1t9a h ILE 606 N 0.70 1.47 -0.16 -0.55 5.03 -1.91 -0.66 117.51 121.43 1t9a h ILE 606 Ca 0.19 -1.50 -0.05 0.00 -0.12 0.00 0.00 64.86 63.38 1t9a h ILE 606 Cb -0.08 2.40 -0.01 0.00 -3.03 0.00 0.00 36.82 36.10 1t9a h ILE 606 CO -0.04 0.40 -0.11 0.11 -0.68 0.00 0.00 178.15 177.83 1t9a h LYS 607 N -0.47 0.26 -0.05 2.37 1.57 -1.93 -1.37 116.57 116.94 1t9a h LYS 607 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1t9a h LYS 607 Cb 0.70 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1t9a h LYS 607 CO 0.02 0.38 0.01 1.25 -0.57 0.00 0.00 179.45 180.54 1t9a h LEU 608 N 0.24 0.08 -0.44 2.94 5.85 -0.61 -0.62 115.31 122.75 1t9a h LEU 608 Ca 0.05 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1t9a h LEU 608 Cb 0.36 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1t9a h LEU 608 CO 0.02 0.28 0.17 0.00 -0.34 0.00 0.00 178.44 178.58 1t9a h ALA 609 N 0.80 0.53 -0.55 1.25 0.00 -0.65 -0.09 119.26 120.56 1t9a h ALA 609 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1t9a h ALA 609 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1t9a h ALA 609 CO 0.00 -0.21 0.32 0.93 0.00 0.00 0.00 179.25 180.29 1t9a h GLU 610 N 0.35 0.75 -0.91 0.00 5.08 -1.14 -0.69 114.58 118.03 1t9a h GLU 610 Ca 0.20 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1t9a h GLU 610 Cb 0.17 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1t9a h GLU 610 CO -0.19 0.56 0.61 0.00 -1.00 0.00 0.00 179.01 178.99 1t9a h ALA 611 N 1.15 1.35 0.00 3.43 0.00 -0.43 -0.98 119.26 123.77 1t9a h ALA 611 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t9a h ALA 611 Cb 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1t9a h ALA 611 CO -0.03 0.60 0.00 -1.33 0.00 0.00 0.00 179.25 178.49 1t9a n MET 612 N -4.40 0.28 -0.12 0.00 2.81 -0.11 -4.90 117.12 110.68 1t9a n MET 612 Ca 0.11 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1t9a n MET 612 Cb 0.02 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 0.79 0.93 3.46 3.03 0.00 -0.37 -4.33 105.19 108.70 1t9a n GLY 613 Ca 0.10 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 2.15 0.29 0.99 2.34 -0.34 -5.00 118.68 119.12 1t9a s LEU 614 Ca 0.00 -1.41 -0.29 0.00 0.06 0.00 0.00 54.13 52.49 1t9a s LEU 614 Cb 0.00 -0.35 -0.09 0.00 -0.56 0.00 0.00 46.19 45.18 1t9a s LEU 614 CO 0.00 -0.65 1.09 -0.75 -1.06 0.00 0.00 176.35 174.98 1t9a s LYS 615 N -3.88 4.59 -0.10 1.48 2.20 -1.20 -3.14 119.74 119.70 1t9a s LYS 615 Ca 0.35 1.77 0.03 0.00 -0.36 0.00 0.00 55.97 57.76 1t9a s LYS 615 Cb 0.08 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1t9a s LYS 615 CO 0.15 0.18 -0.21 0.20 -0.36 0.00 0.00 175.35 175.31 1t9a s GLY 616 N -0.96 1.20 0.01 5.54 0.00 -1.26 -0.74 107.32 111.11 1t9a s GLY 616 Ca 0.46 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 44.37 1t9a s GLY 616 CO 0.39 -0.18 -0.14 1.08 0.00 0.00 0.00 173.10 174.26 1t9a s LEU 617 N 0.49 2.07 0.08 0.66 1.43 0.93 -4.99 118.68 119.36 1t9a s LEU 617 Ca -0.16 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1t9a s LEU 617 Cb -0.17 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1t9a s LEU 617 CO 0.06 0.13 -0.13 -0.60 0.23 0.00 0.00 176.35 176.04 1t9a s ARG 618 N -0.59 0.84 -0.14 1.70 3.52 -1.26 -0.07 118.95 122.94 1t9a s ARG 618 Ca 0.04 -1.04 -0.07 0.00 -0.13 0.00 0.00 55.73 54.54 1t9a s ARG 618 Cb -0.06 -0.73 0.06 0.00 -1.56 0.00 0.00 34.95 32.65 1t9a s ARG 618 CO 0.00 0.15 0.32 0.54 -0.81 0.00 0.00 175.30 175.49 1t9a s VAL 619 N -1.71 -0.13 -0.01 7.11 0.11 -0.46 -4.93 120.40 120.37 1t9a s VAL 619 Ca 0.01 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1t9a s VAL 619 Cb -0.07 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1t9a s VAL 619 CO 0.02 0.06 0.01 0.29 -3.33 0.00 0.00 175.10 172.15 1t9a n LYS 620 N 4.47 2.88 -3.49 1.54 5.02 -1.26 -2.03 118.16 125.30 1t9a n LYS 620 Ca -0.21 -0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.70 1t9a n LYS 620 Cb 0.53 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.44 1t9a n LYS 620 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1t9a s LYS 621 N -2.05 3.96 0.21 1.97 1.02 -1.26 -4.53 119.74 119.06 1t9a s LYS 621 Ca -0.01 0.41 -0.09 0.00 0.02 0.00 0.00 55.97 56.30 1t9a s LYS 621 Cb 0.01 -3.24 0.25 0.00 -0.52 0.00 0.00 37.83 34.33 1t9a s LYS 621 CO 0.06 0.64 1.78 1.96 -0.92 0.00 0.00 175.35 178.87 1t9a h GLN 622 N 4.91 0.55 0.00 1.68 4.20 -1.95 -2.01 115.11 122.49 1t9a h GLN 622 Ca -0.51 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1t9a h GLN 622 Cb 1.22 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1t9a h GLN 622 CO 0.63 0.36 0.00 -0.85 -0.67 0.00 0.00 178.83 178.30 1t9a n GLU 623 N -4.87 0.15 0.00 1.46 0.00 -1.26 -2.31 120.64 113.81 1t9a n GLU 623 Ca 0.08 0.60 0.07 0.00 0.00 0.00 0.00 57.16 57.91 1t9a n GLU 623 Cb 0.21 -1.95 -0.06 0.00 0.00 0.00 0.00 31.44 29.64 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 -2.27 1.93 -0.03 3.44 1.02 -0.77 -4.66 120.64 119.31 1t9a n GLU 624 Ca -0.01 -0.21 -0.08 0.00 -0.02 0.00 0.00 57.16 56.84 1t9a n GLU 624 Cb 0.08 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.46 -0.52 -0.60 -4.62 5.85 -1.34 -1.53 115.31 113.00 1t9a h LEU 625 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1t9a h LEU 625 Cb 0.40 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1t9a h LEU 625 CO 0.00 -0.20 0.40 0.44 -0.34 0.00 0.00 178.44 178.73 1t9a h ASP 626 N -0.17 0.69 -0.30 1.25 3.32 -1.83 -0.61 116.42 118.77 1t9a h ASP 626 Ca 0.12 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1t9a h ASP 626 Cb 0.35 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1t9a h ASP 626 CO -0.31 0.50 0.11 0.00 -1.72 0.00 0.00 179.24 177.82 1t9a h ALA 627 N 1.22 0.39 -0.60 3.45 0.00 -1.81 -2.50 119.26 119.41 1t9a h ALA 627 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1t9a h ALA 627 Cb -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1t9a h ALA 627 CO -0.05 -0.00 0.32 0.87 0.00 0.00 0.00 179.25 180.39 1t9a h LYS 628 N 0.33 0.85 -0.85 0.00 1.79 -1.06 -1.50 116.57 116.13 1t9a h LYS 628 Ca 0.10 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1t9a h LYS 628 Cb 0.20 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 1t9a h LYS 628 CO -0.01 0.65 0.56 -0.07 -1.08 0.00 0.00 179.45 179.51 1t9a h LEU 629 N 0.82 0.97 -0.25 2.94 3.38 -1.02 0.30 115.31 122.46 1t9a h LEU 629 Ca 0.21 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1t9a h LEU 629 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1t9a h LEU 629 CO -0.03 0.70 -0.02 0.11 0.09 0.00 0.00 178.44 179.29 1t9a h LYS 630 N 1.15 0.45 -0.64 1.13 1.57 -1.18 -1.81 116.57 117.24 1t9a h LYS 630 Ca 0.31 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1t9a h LYS 630 Cb -0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1t9a h LYS 630 CO -0.07 0.65 0.26 1.49 -0.57 0.00 0.00 179.45 181.21 1t9a h GLU 631 N 0.21 0.94 0.45 3.15 4.81 -0.96 -1.41 114.58 121.77 1t9a h GLU 631 Ca 0.07 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1t9a h GLU 631 Cb 0.46 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1t9a h GLU 631 CO 0.02 0.76 -0.36 0.35 -0.73 0.00 0.00 179.01 179.05 1t9a h PHE 632 N 0.92 -0.96 0.00 0.92 3.57 -0.10 -2.31 116.94 118.97 1t9a h PHE 632 Ca 0.22 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1t9a h PHE 632 Cb 0.17 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1t9a h PHE 632 CO 0.01 -0.52 -0.34 -0.39 -2.23 0.00 0.00 178.31 174.85 1t9a h VAL 633 N -0.80 0.76 -0.01 1.41 -1.51 -1.23 -3.11 116.25 111.76 1t9a h VAL 633 Ca -0.04 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 1t9a h VAL 633 Cb 0.69 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1t9a h VAL 633 CO -0.01 0.33 -0.06 -1.54 -1.23 0.00 0.00 177.57 175.06 1t9a n SER 634 N -3.45 1.00 -4.76 4.19 3.41 -0.54 -4.87 113.62 108.60 1t9a n SER 634 Ca 0.00 -1.17 -0.41 0.00 -0.26 0.00 0.00 58.87 57.03 1t9a n SER 634 Cb 0.51 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.15 3.25 0.00 6.66 2.01 -0.88 -4.99 115.64 119.53 1t9a s THR 635 Ca 0.36 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.59 1t9a s THR 635 Cb 0.21 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1t9a s THR 635 CO 0.39 0.28 0.56 2.29 -0.69 0.00 0.00 174.62 177.45 1t9a n LYS 636 N 1.26 0.00 0.00 4.92 -0.00 -1.26 -4.91 118.16 118.16 1t9a n LYS 636 Ca 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1t9a n LYS 636 Cb 0.44 -1.14 0.00 0.00 -0.00 0.00 0.00 35.03 34.33 1t9a n LYS 636 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t9a n GLY 637 N 0.06 -2.08 3.76 2.58 0.00 -1.26 -4.79 105.19 103.46 1t9a n GLY 637 Ca 0.00 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.69 3.67 -0.04 1.61 0.04 -1.26 -4.65 135.00 132.67 1t9a s PRO 638 Ca 0.00 2.07 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 1t9a s PRO 638 Cb 0.00 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 32.06 1t9a s PRO 638 CO 0.00 -0.71 0.38 0.54 0.04 0.00 0.00 177.00 177.25 1t9a s VAL 639 N -1.36 0.04 -0.07 -0.36 0.11 -0.67 -3.26 120.40 114.83 1t9a s VAL 639 Ca 0.63 -0.33 0.05 0.00 -2.93 0.00 0.00 61.98 59.40 1t9a s VAL 639 Cb -0.36 -0.66 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1t9a s VAL 639 CO 0.44 -0.18 -0.23 -0.22 -3.33 0.00 0.00 175.10 171.59 1t9a s LEU 640 N -1.05 2.03 -0.12 2.54 0.20 0.08 -0.27 118.68 122.08 1t9a s LEU 640 Ca -0.11 -0.49 0.00 0.00 0.69 0.00 0.00 54.13 54.22 1t9a s LEU 640 Cb -0.04 -1.29 0.02 0.00 -0.43 0.00 0.00 46.19 44.46 1t9a s LEU 640 CO 0.04 0.19 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.97 1t9a s LEU 641 N 0.06 1.44 -0.19 -0.68 2.96 0.28 -0.05 118.68 122.51 1t9a s LEU 641 Ca -0.09 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 1t9a s LEU 641 Cb -0.15 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 1t9a s LEU 641 CO 0.05 -0.08 0.11 -0.70 -1.32 0.00 0.00 176.35 174.42 1t9a s GLU 642 N 1.50 4.10 -0.23 1.98 2.12 0.89 -1.25 118.70 127.81 1t9a s GLU 642 Ca 0.03 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.13 1t9a s GLU 642 Cb -0.13 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 30.96 1t9a s GLU 642 CO -0.08 0.31 -0.14 0.08 -0.54 0.00 0.00 175.26 174.90 1t9a s VAL 643 N 0.30 2.09 -0.15 3.70 1.01 -0.30 -1.36 120.40 125.70 1t9a s VAL 643 Ca 0.07 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 1t9a s VAL 643 Cb -0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1t9a s VAL 643 CO -0.01 0.17 1.43 -1.61 0.00 0.00 0.00 175.10 175.07 1t9a s GLU 644 N 1.19 4.14 0.36 2.72 2.02 -0.86 -1.68 118.70 126.59 1t9a s GLU 644 Ca -0.04 1.79 0.09 0.00 0.02 0.00 0.00 54.97 56.83 1t9a s GLU 644 Cb -0.17 -3.87 -0.06 0.00 0.10 0.00 0.00 34.13 30.12 1t9a s GLU 644 CO -0.08 -0.85 0.01 0.14 0.02 0.00 0.00 175.26 174.51 1t9a s VAL 645 N 3.92 2.43 0.37 2.63 -7.23 -0.65 -4.11 120.40 117.76 1t9a s VAL 645 Ca 0.62 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.53 1t9a s VAL 645 Cb -0.25 -2.82 -0.11 0.00 0.56 0.00 0.00 36.38 33.75 1t9a s VAL 645 CO 0.21 -0.15 1.48 -0.62 -0.31 0.00 0.00 175.10 175.72 1t9a s ASP 646 N -3.72 6.37 0.35 4.85 2.15 0.10 -4.54 116.67 122.23 1t9a s ASP 646 Ca 0.35 3.02 -0.02 0.00 0.43 0.00 0.00 52.55 56.34 1t9a s ASP 646 Cb 0.02 -2.67 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1t9a s ASP 646 CO 0.19 -0.86 0.58 -0.54 -0.17 0.00 0.00 175.17 174.38 1t9a s LYS 647 N -1.97 3.53 -1.43 4.34 1.02 -1.26 -4.43 119.74 119.53 1t9a s LYS 647 Ca 0.53 -0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.25 1t9a s LYS 647 Cb -0.46 -2.62 0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1t9a s LYS 647 CO 0.62 0.11 1.02 1.63 -0.92 0.00 0.00 175.35 177.81 1t9a n LYS 648 N -1.64 -6.32 -3.51 1.68 4.76 -1.26 -4.97 118.16 106.90 1t9a n LYS 648 Ca -0.03 0.69 -0.41 0.00 -2.87 0.00 0.00 58.31 55.68 1t9a n LYS 648 Cb 0.55 -5.60 -0.10 0.00 -1.84 0.00 0.00 35.03 28.04 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 -3.35 5.25 0.36 -0.18 1.01 -1.26 -5.05 120.40 117.17 1t9a s VAL 649 Ca 0.52 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 1t9a s VAL 649 Cb -0.25 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1t9a s VAL 649 CO 0.79 -0.12 1.09 -2.16 0.00 0.00 0.00 175.10 174.69 1t9a s PRO 650 N 1.70 4.29 -0.16 2.72 0.04 -1.26 -5.01 135.00 137.32 1t9a s PRO 650 Ca 0.06 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 1t9a s PRO 650 Cb -0.18 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 1t9a s PRO 650 CO 0.10 -0.06 0.87 0.08 0.04 0.00 0.00 177.00 178.03 1t9a s VAL 651 N -1.45 4.85 0.10 -0.36 1.01 -1.26 -5.04 120.40 118.25 1t9a s VAL 651 Ca 0.53 1.72 0.03 0.00 0.00 0.00 0.00 61.98 64.27 1t9a s VAL 651 Cb -0.27 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1t9a s VAL 651 CO 0.34 0.01 -0.09 -0.76 0.00 0.00 0.00 175.10 174.60 1t9a s LEU 652 N 2.19 2.43 1.09 3.92 1.43 -1.26 -4.45 118.68 124.04 1t9a s LEU 652 Ca 0.40 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1t9a s LEU 652 Cb -0.17 -0.24 0.24 0.00 0.03 0.00 0.00 46.19 46.05 1t9a s LEU 652 CO 0.13 -0.31 1.15 -2.16 0.23 0.00 0.00 176.35 175.38 1t9a s PRO 653 N -3.01 -0.36 -0.07 1.29 0.04 -1.26 -4.86 135.00 126.76 1t9a s PRO 653 Ca 0.07 0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 1t9a s PRO 653 Cb -0.01 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.86 1t9a s PRO 653 CO -0.01 -3.16 0.18 1.41 0.04 0.00 0.00 177.00 175.47 1t9a s MET 654 N -5.40 0.19 -0.22 4.56 1.75 -0.47 -4.37 119.30 115.35 1t9a s MET 654 Ca 0.70 0.29 -0.00 0.00 -1.25 0.00 0.00 55.69 55.42 1t9a s MET 654 Cb -0.11 0.05 0.06 0.00 2.84 0.00 0.00 34.83 37.67 1t9a s MET 654 CO 0.55 -0.05 -0.04 0.08 -0.65 0.00 0.00 175.02 174.91 1t9a s VAL 655 N 0.34 1.27 0.28 10.11 1.01 0.36 -0.11 120.40 133.65 1t9a s VAL 655 Ca -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1t9a s VAL 655 Cb -0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1t9a s VAL 655 CO -0.01 -0.09 0.15 0.00 0.00 0.00 0.00 175.10 175.15 1t9a s ALA 656 N 1.52 1.76 0.00 5.51 0.00 -1.26 -4.55 121.76 124.74 1t9a s ALA 656 Ca -0.04 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1t9a s ALA 656 Cb -0.18 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.13 1t9a s ALA 656 CO -0.07 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1t9a n GLY 657 N -0.50 2.44 1.53 0.00 0.00 -1.26 -2.77 105.19 104.62 1t9a n GLY 657 Ca 0.01 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 2.93 3.84 -0.02 0.00 -1.26 -4.41 105.19 106.26 1t9a n GLY 658 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.40 6.84 0.44 1.61 0.01 -1.12 -4.74 113.70 116.33 1t9a s SER 659 Ca 0.33 1.45 -0.02 0.00 1.31 0.00 0.00 55.95 59.02 1t9a s SER 659 Cb 0.26 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1t9a s SER 659 CO 0.08 -0.28 0.68 -0.83 0.41 0.00 0.00 173.24 173.30 1t9a s GLY 660 N -2.26 1.47 0.65 3.44 0.00 -1.26 -0.99 107.32 108.38 1t9a s GLY 660 Ca 0.57 -0.84 0.30 0.00 0.00 0.00 0.00 44.72 44.76 1t9a s GLY 660 CO 0.16 -0.69 1.94 1.41 0.00 0.00 0.00 173.10 175.92 1t9a h LEU 661 N 0.42 0.00 -1.13 0.66 3.38 -1.83 0.46 115.31 117.27 1t9a h LEU 661 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1t9a h LEU 661 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1t9a h LEU 661 CO 0.60 0.00 -0.11 -0.90 0.09 0.00 0.00 178.44 178.12 1t9a n ASP 662 N -3.03 1.87 -2.54 -0.43 5.75 -1.26 -4.18 116.55 112.73 1t9a n ASP 662 Ca -0.01 -1.51 -0.33 0.00 -0.01 0.00 0.00 54.79 52.93 1t9a n ASP 662 Cb 0.40 0.09 0.04 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.30 3.04 -1.83 0.11 1.02 0.16 -5.03 120.64 118.40 1t9a n GLU 663 Ca 0.15 -3.81 -0.30 0.00 -0.02 0.00 0.00 57.16 53.18 1t9a n GLU 663 Cb 0.43 -2.27 0.04 0.00 -0.02 0.00 0.00 31.44 29.62 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 -3.82 3.35 -0.26 -0.32 -0.12 -1.26 -4.65 117.98 110.90 1t9a s PHE 664 Ca 0.54 1.14 -0.11 0.00 -0.05 0.00 0.00 56.93 58.45 1t9a s PHE 664 Cb 0.44 -2.98 -0.05 0.00 -0.63 0.00 0.00 43.02 39.81 1t9a s PHE 664 CO -0.20 -1.11 0.17 0.42 -0.05 0.00 0.00 175.22 174.45 1t9a s ILE 665 N -3.28 5.31 0.29 -4.49 1.01 0.85 -4.89 121.20 116.00 1t9a s ILE 665 Ca 0.58 0.17 0.06 0.00 0.00 0.00 0.00 60.65 61.46 1t9a s ILE 665 Cb -0.11 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1t9a s ILE 665 CO 0.53 0.31 0.33 0.21 0.00 0.00 0.00 174.94 176.31 1t9a s ASN 666 N 1.36 5.79 0.32 3.58 2.47 -1.26 -1.37 114.94 125.83 1t9a s ASN 666 Ca 0.07 -0.21 -0.28 0.00 0.42 0.00 0.00 52.86 52.87 1t9a s ASN 666 Cb -0.15 -1.38 -0.09 0.00 -1.45 0.00 0.00 41.25 38.18 1t9a s ASN 666 CO 0.07 -0.22 1.11 0.12 -3.72 0.00 0.00 177.10 174.46 1t9a s PHE 667 N -2.14 3.42 -0.17 0.43 5.36 -1.26 -5.02 117.98 118.60 1t9a s PHE 667 Ca 0.38 1.66 -0.05 0.00 -0.96 0.00 0.00 56.93 57.96 1t9a s PHE 667 Cb -0.08 -3.29 0.08 0.00 -0.34 0.00 0.00 43.02 39.39 1t9a s PHE 667 CO 0.28 -0.74 0.30 0.34 -1.46 0.00 0.00 175.22 173.94 1t9a s ASP 668 N -1.02 0.40 0.25 6.13 -1.08 -1.26 -5.03 116.67 115.06 1t9a s ASP 668 Ca 0.49 0.48 -0.04 0.00 -0.52 0.00 0.00 52.55 52.96 1t9a s ASP 668 Cb -0.30 0.81 0.39 0.00 -1.46 0.00 0.00 42.92 42.35 1t9a s ASP 668 CO 0.39 -0.26 1.84 1.55 0.52 0.00 0.00 175.17 179.21 1t9a h PRO 669 N 8.26 0.91 -0.43 4.34 0.13 -1.97 -1.67 132.00 141.56 1t9a h PRO 669 Ca -0.15 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.81 1t9a h PRO 669 Cb 1.12 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1t9a h PRO 669 CO 0.17 0.60 -0.18 1.49 -0.23 0.00 0.00 178.00 179.86 1t9a h GLU 670 N 0.93 0.88 -0.75 0.86 4.57 -1.99 -2.47 114.58 116.61 1t9a h GLU 670 Ca 0.40 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1t9a h GLU 670 Cb 0.27 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1t9a h GLU 670 CO -0.21 1.02 0.40 0.28 -1.18 0.00 0.00 179.01 179.32 1t9a h VAL 671 N 0.71 1.23 -0.66 0.32 2.07 -1.88 -1.33 116.25 116.70 1t9a h VAL 671 Ca 0.10 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1t9a h VAL 671 Cb 0.73 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1t9a h VAL 671 CO 0.06 0.26 0.10 -0.08 0.02 0.00 0.00 177.57 177.92 1t9a h GLU 672 N 1.05 1.10 -0.56 1.57 4.81 -1.14 -0.42 114.58 121.00 1t9a h GLU 672 Ca 0.26 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1t9a h GLU 672 Cb 0.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1t9a h GLU 672 CO -0.04 1.01 0.04 0.00 -0.73 0.00 0.00 179.01 179.29 1t9a h ARG 673 N 1.02 0.92 -0.08 1.92 3.08 -0.96 -0.32 114.38 119.96 1t9a h ARG 673 Ca 0.20 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1t9a h ARG 673 Cb 0.45 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1t9a h ARG 673 CO 0.01 0.89 0.02 1.96 -1.07 0.00 0.00 179.97 181.78 1t9a h GLN 674 N 0.86 0.13 -0.98 0.04 4.20 -0.84 -2.18 115.11 116.35 1t9a h GLN 674 Ca 0.17 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1t9a h GLN 674 Cb 0.45 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 1t9a h GLN 674 CO 0.02 0.32 0.64 1.96 -0.67 0.00 0.00 178.83 181.10 1t9a h GLN 675 N -0.08 1.22 -0.89 1.46 1.08 -0.87 -0.59 115.11 116.43 1t9a h GLN 675 Ca 0.03 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1t9a h GLN 675 Cb 0.25 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 1t9a h GLN 675 CO 0.00 0.80 0.48 1.15 -0.95 0.00 0.00 178.83 180.31 1t9a h THR 676 N 1.25 1.26 -0.13 -0.54 2.02 -0.88 0.13 112.91 116.01 1t9a h THR 676 Ca 0.38 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 1t9a h THR 676 Cb -0.03 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1t9a h THR 676 CO -0.11 0.30 -0.50 -0.08 0.37 0.00 0.00 175.52 175.50 1t9a h GLU 677 N 1.26 0.36 -0.14 6.66 4.57 -0.70 -2.34 114.58 124.25 1t9a h GLU 677 Ca 0.31 -0.21 -0.17 0.00 -1.18 0.00 0.00 59.36 58.11 1t9a h GLU 677 Cb 0.05 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1t9a h GLU 677 CO -0.05 0.78 -0.64 1.25 -1.18 0.00 0.00 179.01 179.17 1t9a h LEU 678 N 0.29 0.58 -0.31 1.64 5.85 -0.50 -2.38 115.31 120.48 1t9a h LEU 678 Ca 0.01 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 1t9a h LEU 678 Cb 0.98 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1t9a h LEU 678 CO 0.08 1.07 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.15 1t9a h ARG 679 N 0.37 0.55 -0.26 1.25 2.43 -0.66 -1.47 114.38 116.59 1t9a h ARG 679 Ca -0.01 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1t9a h ARG 679 Cb 1.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1t9a h ARG 679 CO 0.12 0.70 0.15 0.45 -1.51 0.00 0.00 179.97 179.88 1t9a h HIS 680 N 0.35 0.28 -0.21 2.20 3.86 -1.39 0.14 115.15 120.37 1t9a h HIS 680 Ca 0.09 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1t9a h HIS 680 Cb 0.46 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1t9a h HIS 680 CO 0.04 0.17 0.13 -0.22 0.86 0.00 0.00 177.93 178.91 1t9a h LYS 681 N 0.31 0.28 -0.26 2.45 3.64 -1.39 0.18 116.57 121.78 1t9a h LYS 681 Ca 0.10 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1t9a h LYS 681 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1t9a h LYS 681 CO -0.05 0.21 -0.22 0.00 -2.27 0.00 0.00 179.45 177.12 1t9a h ARG 682 N 0.27 0.47 -0.68 1.90 3.08 -1.01 -3.03 114.38 115.39 1t9a h ARG 682 Ca 0.08 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1t9a h ARG 682 Cb -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1t9a h ARG 682 CO -0.02 0.67 0.00 0.25 -1.07 0.00 0.00 179.97 179.80 1t9a n THR 683 N -4.14 1.02 -2.12 2.04 -2.24 0.45 -4.94 114.28 104.35 1t9a n THR 683 Ca -0.00 -0.94 -0.18 0.00 -2.27 0.00 0.00 64.05 60.66 1t9a n THR 683 Cb 0.38 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.52 0.21 1.53 3.38 0.00 -0.74 -2.02 105.19 109.07 1t9a n GLY 684 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.94 1.47 0.33 -0.02 0.00 0.55 -4.92 105.19 101.66 1t9a n GLY 685 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1t9a n GLY 685 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t9a h LYS 686 N 3.06 1.05 0.00 1.61 2.10 -1.67 -3.50 116.57 119.23 1t9a h LYS 686 Ca 0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1t9a h LYS 686 Cb 0.00 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.15 1t9a h LYS 686 CO 0.00 0.83 0.00 0.72 -2.00 0.00 0.00 179.45 179.00