#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ism s ALA 68 N 0.00 3.31 -0.05 6.98 0.00 -1.26 -5.04 121.76 125.71 3ism s ALA 68 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 3ism s ALA 68 Cb 0.00 -2.76 -0.23 0.00 0.00 0.00 0.00 23.12 20.13 3ism s ALA 68 CO 0.00 0.14 1.05 1.15 0.00 0.00 0.00 175.76 178.10 3ism h THR 69 N 1.51 1.54 -4.05 0.00 2.02 -2.10 -3.45 112.91 108.38 3ism h THR 69 Ca -0.47 -1.86 -0.50 0.00 0.77 0.00 0.00 66.41 64.35 3ism h THR 69 Cb 1.18 2.70 0.06 0.00 -1.74 0.00 0.00 68.15 70.35 3ism h THR 69 CO 0.64 0.51 0.44 -2.16 0.37 0.00 0.00 175.52 175.31 3ism s PRO 70 N -3.24 3.62 0.39 6.66 0.04 -1.26 -4.93 135.00 136.28 3ism s PRO 70 Ca -0.16 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 3ism s PRO 70 Cb 0.01 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3ism s PRO 70 CO 0.73 -0.63 1.44 -1.54 0.04 0.00 0.00 177.00 177.04 3ism s SER 71 N -1.68 6.29 0.22 6.66 1.04 -1.26 -4.91 113.70 120.05 3ism s SER 71 Ca 0.68 2.94 -0.07 0.00 0.48 0.00 0.00 55.95 59.99 3ism s SER 71 Cb -0.24 -2.66 0.19 0.00 0.10 0.00 0.00 66.02 63.41 3ism s SER 71 CO 0.28 -0.90 1.75 -0.09 0.98 0.00 0.00 173.24 175.26 3ism h ARG 72 N 2.87 1.09 -0.78 4.02 9.65 -1.92 -2.48 114.38 126.82 3ism h ARG 72 Ca -0.51 -0.24 0.06 0.00 -1.10 0.00 0.00 59.98 58.20 3ism h ARG 72 Cb 1.24 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 29.61 3ism h ARG 72 CO 0.63 0.94 0.46 0.97 2.80 0.00 0.00 179.97 185.78 3ism h ILE 73 N 1.04 1.00 -0.54 1.20 2.10 -1.91 -0.49 117.51 119.91 3ism h ILE 73 Ca 0.22 -0.29 -0.01 0.00 1.08 0.00 0.00 64.86 65.86 3ism h ILE 73 Cb 0.33 0.09 -0.03 0.00 -1.09 0.00 0.00 36.82 36.12 3ism h ILE 73 CO -0.00 0.15 0.28 1.23 -1.08 0.00 0.00 178.15 178.73 3ism h GLY 74 N 0.84 0.80 0.78 8.18 0.00 -1.83 -1.03 103.07 110.80 3ism h GLY 74 Ca 0.35 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3ism h GLY 74 CO -0.18 0.34 -0.30 1.46 0.00 0.00 0.00 176.54 177.85 3ism h GLN 75 N 0.75 0.43 -0.54 4.80 4.20 -0.80 -3.04 115.11 120.90 3ism h GLN 75 Ca 0.19 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3ism h GLN 75 Cb 0.04 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3ism h GLN 75 CO -0.03 0.90 0.05 0.82 -0.67 0.00 0.00 178.83 179.90 3ism h ILE 76 N 0.02 1.25 -0.43 2.54 2.04 -0.92 -3.04 117.51 118.97 3ism h ILE 76 Ca -0.00 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 3ism h ILE 76 Cb 0.91 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3ism h ILE 76 CO 0.07 0.36 0.06 0.23 0.00 0.00 0.00 178.15 178.86 3ism n MET 77 N -4.22 3.45 -0.28 2.37 2.81 -0.41 -4.59 117.12 116.25 3ism n MET 77 Ca 0.03 -2.14 0.13 0.00 -1.81 0.00 0.00 57.70 53.91 3ism n MET 77 Cb 0.29 -2.00 0.25 0.00 -0.71 0.00 0.00 33.22 31.05 3ism n MET 77 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3ism n LYS 78 N 0.30 -0.06 -0.23 0.03 4.81 -1.15 -1.69 118.16 120.16 3ism n LYS 78 Ca 0.22 1.21 0.10 0.00 -0.87 0.00 0.00 58.31 58.97 3ism n LYS 78 Cb 0.95 -1.94 0.27 0.00 0.02 0.00 0.00 35.03 34.32 3ism n LYS 78 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3ism n TYR 79 N -5.14 0.60 0.00 5.64 4.02 -1.26 -4.97 117.16 116.04 3ism n TYR 79 Ca 0.20 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 3ism n TYR 79 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 3ism n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ism n GLY 80 N 1.41 2.72 3.50 2.72 0.00 -0.68 -2.32 105.19 112.53 3ism n GLY 80 Ca 0.19 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 3ism n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ism s PHE 81 N -2.13 3.13 0.49 1.61 0.08 -1.26 -4.82 117.98 115.08 3ism s PHE 81 Ca 0.00 -0.26 0.21 0.00 0.12 0.00 0.00 56.93 57.00 3ism s PHE 81 Cb 0.00 -2.19 1.25 0.00 -0.57 0.00 0.00 43.02 41.51 3ism s PHE 81 CO 0.00 -0.20 1.99 -1.35 -0.10 0.00 0.00 175.22 175.56 3ism h PRO 82 N 7.79 0.15 -2.23 0.24 0.11 -1.96 -3.46 132.00 132.64 3ism h PRO 82 Ca -0.37 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.95 3ism h PRO 82 Cb 1.18 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 3ism h PRO 82 CO 0.61 0.10 0.65 0.20 -0.21 0.00 0.00 178.00 179.34 3ism s GLY 83 N -3.94 -0.10 -0.10 -0.55 0.00 -1.26 -3.44 107.32 97.93 3ism s GLY 83 Ca -0.06 0.02 0.13 0.00 0.00 0.00 0.00 44.72 44.81 3ism s GLY 83 CO 0.74 1.78 1.11 1.04 0.00 0.00 0.00 173.10 177.77 3ism n LEU 84 N -0.63 1.69 -4.62 0.66 4.77 -1.26 -5.01 117.00 112.59 3ism n LEU 84 Ca -0.04 -2.55 -0.43 0.00 -0.03 0.00 0.00 56.01 52.97 3ism n LEU 84 Cb 0.60 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3ism n LEU 84 CO 0.17 0.63 1.05 -0.62 -1.33 0.00 0.00 177.39 177.28 3ism s ASP 85 N -2.37 6.74 -1.13 -1.43 2.15 -1.26 -4.37 116.67 115.00 3ism s ASP 85 Ca 0.24 0.94 -0.08 0.00 0.43 0.00 0.00 52.55 54.08 3ism s ASP 85 Cb 0.21 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 3ism s ASP 85 CO 0.01 -1.07 0.86 1.57 -0.17 0.00 0.00 175.17 176.37 3ism n HIS 86 N 7.46 -2.21 -3.02 -5.34 -0.00 -1.26 -3.21 115.22 107.64 3ism n HIS 86 Ca 0.13 0.77 -0.40 0.00 0.46 0.00 0.00 57.72 58.68 3ism n HIS 86 Cb 0.47 -4.13 -0.05 0.00 -0.12 0.00 0.00 29.99 26.17 3ism n HIS 86 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3ism s VAL 87 N -3.45 5.00 -0.03 3.57 1.01 -1.26 -1.51 120.40 123.73 3ism s VAL 87 Ca 0.33 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.82 3ism s VAL 87 Cb -0.07 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3ism s VAL 87 CO 0.78 0.18 -0.22 -0.13 0.00 0.00 0.00 175.10 175.71 3ism s ARG 88 N 1.29 2.00 -0.27 2.72 0.52 0.90 -4.99 118.95 121.12 3ism s ARG 88 Ca 0.36 -0.79 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 3ism s ARG 88 Cb -0.17 -1.82 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 3ism s ARG 88 CO 0.16 0.40 0.10 0.45 0.02 0.00 0.00 175.30 176.43 3ism s SER 89 N -0.31 5.32 0.58 0.23 0.15 -1.26 -0.80 113.70 117.61 3ism s SER 89 Ca 0.03 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3ism s SER 89 Cb -0.11 -1.96 0.09 0.00 -1.71 0.00 0.00 66.02 62.33 3ism s SER 89 CO 0.01 -0.10 0.61 1.41 1.20 0.00 0.00 173.24 176.38 3ism n HIS 90 N 4.95 -3.05 0.04 3.44 8.25 0.63 -5.00 115.22 124.48 3ism n HIS 90 Ca -0.15 -1.12 0.00 0.00 -0.26 0.00 0.00 57.72 56.19 3ism n HIS 90 Cb 0.50 -0.44 0.31 0.00 1.12 0.00 0.00 29.99 31.48 3ism n HIS 90 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3ism h SER 91 N -0.33 0.40 0.00 0.41 0.02 -1.93 -3.34 113.55 108.78 3ism h SER 91 Ca -0.20 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3ism h SER 91 Cb 0.76 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3ism h SER 91 CO 0.22 0.53 -0.35 -0.67 -1.14 0.00 0.00 176.83 175.42 3ism n ASP 92 N -4.25 0.11 -3.80 3.07 2.03 -1.26 -4.97 116.55 107.47 3ism n ASP 92 Ca 0.01 -1.79 -0.10 0.00 0.52 0.00 0.00 54.79 53.43 3ism n ASP 92 Cb 0.27 -0.16 -0.04 0.00 -0.72 0.00 0.00 41.12 40.47 3ism n ASP 92 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3ism s TYR 93 N -0.11 0.01 -0.02 -0.67 -0.85 -1.25 -4.67 117.35 109.78 3ism s TYR 93 Ca 0.01 -0.36 0.07 0.00 -0.52 0.00 0.00 57.07 56.27 3ism s TYR 93 Cb 0.01 0.29 -0.02 0.00 0.38 0.00 0.00 41.96 42.62 3ism s TYR 93 CO 0.00 -0.88 -0.24 0.08 -1.52 0.00 0.00 175.55 172.99 3ism s VAL 94 N -3.90 1.94 -0.01 -3.49 1.01 -0.77 -0.27 120.40 114.91 3ism s VAL 94 Ca 0.11 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3ism s VAL 94 Cb -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3ism s VAL 94 CO -0.02 0.55 -0.07 -0.22 0.00 0.00 0.00 175.10 175.34 3ism s LEU 95 N -0.52 1.86 -0.18 3.92 0.20 0.02 -0.65 118.68 123.34 3ism s LEU 95 Ca 0.08 -0.13 -0.03 0.00 0.69 0.00 0.00 54.13 54.74 3ism s LEU 95 Cb -0.10 -0.40 -0.02 0.00 -0.43 0.00 0.00 46.19 45.25 3ism s LEU 95 CO -0.00 0.06 -0.07 -0.55 -0.29 0.00 0.00 176.35 175.50 3ism s SER 96 N 0.08 4.34 -0.18 3.68 0.15 -0.04 -0.07 113.70 121.66 3ism s SER 96 Ca -0.01 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.26 3ism s SER 96 Cb -0.06 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 3ism s SER 96 CO -0.00 0.08 0.07 -0.47 1.20 0.00 0.00 173.24 174.12 3ism s TYR 97 N 0.85 3.27 -0.64 3.44 5.04 -0.57 -0.43 117.35 128.32 3ism s TYR 97 Ca -0.02 0.11 -0.18 0.00 -2.44 0.00 0.00 57.07 54.54 3ism s TYR 97 Cb -0.15 -2.08 0.12 0.00 0.35 0.00 0.00 41.96 40.20 3ism s TYR 97 CO 0.01 0.18 0.73 0.34 -1.34 0.00 0.00 175.55 175.47 3ism s ASP 98 N 0.34 6.28 0.37 4.32 -1.08 0.08 -4.56 116.67 122.42 3ism s ASP 98 Ca 0.04 -1.64 0.11 0.00 -0.52 0.00 0.00 52.55 50.54 3ism s ASP 98 Cb -0.12 -2.29 0.73 0.00 -1.46 0.00 0.00 42.92 39.77 3ism s ASP 98 CO -0.00 -1.04 1.85 0.03 0.52 0.00 0.00 175.17 176.53 3ism h ARG 99 N 8.99 0.09 -0.55 4.34 3.08 -1.91 0.36 114.38 128.79 3ism h ARG 99 Ca -0.22 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.75 3ism h ARG 99 Cb 1.08 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3ism h ARG 99 CO 1.06 0.39 0.14 -0.09 -1.07 0.00 0.00 179.97 180.40 3ism h ARG 100 N 0.08 0.87 0.00 0.04 2.43 -1.93 -3.25 114.38 112.62 3ism h ARG 100 Ca 0.01 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3ism h ARG 100 Cb 0.58 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3ism h ARG 100 CO 0.04 0.82 -0.99 0.09 -1.51 0.00 0.00 179.97 178.42 3ism n ASN 101 N -4.41 0.82 -1.96 -3.80 3.02 -1.00 -4.90 115.26 103.02 3ism n ASN 101 Ca 0.02 -0.75 -0.16 0.00 -0.03 0.00 0.00 54.58 53.66 3ism n ASN 101 Cb 0.23 0.93 -0.00 0.00 -0.61 0.00 0.00 39.78 40.33 3ism n ASN 101 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ism n ARG 102 N -1.59 -1.82 -4.11 3.52 3.00 0.12 -1.47 116.66 114.32 3ism n ARG 102 Ca 0.04 0.77 -0.11 0.00 -0.01 0.00 0.00 57.85 58.54 3ism n ARG 102 Cb 0.36 -5.18 -0.07 0.00 0.00 0.00 0.00 32.46 27.56 3ism n ARG 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3ism s VAL 103 N -2.86 0.00 0.60 1.55 -7.23 -1.16 -4.55 120.40 106.76 3ism s VAL 103 Ca 0.05 -1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 3ism s VAL 103 Cb -0.02 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 3ism s VAL 103 CO 0.06 0.00 1.12 -2.84 -0.31 0.00 0.00 175.10 173.13 3ism s PRO 104 N -4.01 3.07 0.03 4.82 0.02 -1.25 -0.74 135.00 136.94 3ism s PRO 104 Ca 0.31 1.52 -0.21 0.00 0.02 0.00 0.00 61.00 62.64 3ism s PRO 104 Cb 0.03 -1.98 -0.15 0.00 0.02 0.00 0.00 34.50 32.43 3ism s PRO 104 CO 0.12 -1.06 1.35 0.45 -0.33 0.00 0.00 177.00 177.53 3ism h HIS 105 N 0.63 0.36 -2.48 6.54 3.86 -1.03 -3.42 115.15 119.62 3ism h HIS 105 Ca -0.48 -0.10 0.03 0.00 -1.16 0.00 0.00 60.37 58.65 3ism h HIS 105 Cb 1.26 -0.08 -0.15 0.00 1.06 0.00 0.00 27.41 29.50 3ism h HIS 105 CO 0.53 0.69 0.34 1.67 0.86 0.00 0.00 177.93 182.02 3ism s TRP 106 N -4.36 -0.47 0.22 2.45 1.48 -1.17 -4.08 118.94 113.01 3ism s TRP 106 Ca -0.14 0.43 0.10 0.00 -1.06 0.00 0.00 56.10 55.42 3ism s TRP 106 Cb 0.05 0.52 -0.05 0.00 -1.16 0.00 0.00 33.47 32.83 3ism s TRP 106 CO 0.74 -0.66 -0.19 0.14 -4.06 0.00 0.00 176.95 172.92 3ism s VAL 107 N -2.94 2.13 -0.02 -0.66 -7.23 -0.38 -0.86 120.40 110.45 3ism s VAL 107 Ca 0.01 -2.20 0.03 0.00 -1.81 0.00 0.00 61.98 58.01 3ism s VAL 107 Cb -0.01 -2.11 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 3ism s VAL 107 CO -0.07 -0.39 -0.10 0.12 -0.31 0.00 0.00 175.10 174.35 3ism s PHE 108 N -2.39 1.04 0.05 2.82 2.19 0.18 -1.90 117.98 119.97 3ism s PHE 108 Ca 0.24 -0.25 0.03 0.00 0.33 0.00 0.00 56.93 57.28 3ism s PHE 108 Cb -0.05 -0.72 -0.03 0.00 -1.31 0.00 0.00 43.02 40.92 3ism s PHE 108 CO 0.10 -0.08 -0.10 -1.21 1.83 0.00 0.00 175.22 175.76 3ism s GLU 109 N 0.04 0.64 -0.22 10.12 2.02 -0.18 -1.84 118.70 129.27 3ism s GLU 109 Ca -0.01 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.15 3ism s GLU 109 Cb -0.08 -0.46 0.05 0.00 0.10 0.00 0.00 34.13 33.74 3ism s GLU 109 CO 0.00 0.09 -0.11 -1.58 0.02 0.00 0.00 175.26 173.68 3ism s HIS 110 N -1.45 2.75 0.07 1.61 5.65 -1.26 -0.95 115.29 121.72 3ism s HIS 110 Ca -0.06 -1.88 0.04 0.00 0.25 0.00 0.00 55.06 53.40 3ism s HIS 110 Cb -0.09 -1.76 -0.04 0.00 -1.18 0.00 0.00 32.58 29.50 3ism s HIS 110 CO 0.01 -0.80 0.02 -0.51 -0.65 0.00 0.00 174.74 172.80 3ism s LEU 111 N 1.28 3.55 0.16 8.88 1.43 0.16 -4.95 118.68 129.18 3ism s LEU 111 Ca -0.04 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3ism s LEU 111 Cb -0.18 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3ism s LEU 111 CO -0.07 0.19 0.01 0.42 0.23 0.00 0.00 176.35 177.12 3ism s THR 112 N -1.29 0.56 0.27 5.49 -4.23 -1.26 -1.33 115.64 113.85 3ism s THR 112 Ca 0.26 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 3ism s THR 112 Cb -0.12 -2.05 0.26 0.00 1.34 0.00 0.00 72.50 71.93 3ism s THR 112 CO 0.18 -0.52 1.71 0.00 -0.54 0.00 0.00 174.62 175.44 3ism h ALA 113 N 2.76 1.28 -0.31 3.99 0.00 -1.79 -2.01 119.26 123.18 3ism h ALA 113 Ca -0.36 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ism h ALA 113 Cb 1.20 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3ism h ALA 113 CO 0.62 -0.28 0.19 1.49 0.00 0.00 0.00 179.25 181.28 3ism h GLU 114 N 0.42 0.42 0.00 0.00 4.81 -1.95 -2.55 114.58 115.72 3ism h GLU 114 Ca 0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 3ism h GLU 114 Cb 0.88 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3ism h GLU 114 CO -0.48 0.31 0.00 0.66 -0.73 0.00 0.00 179.01 178.77 3ism h SER 115 N 0.40 0.00 -0.42 1.04 4.64 -1.73 -2.68 113.55 114.80 3ism h SER 115 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ism h SER 115 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ism h SER 115 CO -0.02 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.27 3ism n VAL 116 N -2.64 0.81 -2.92 0.95 0.24 -1.00 -0.89 118.33 112.89 3ism n VAL 116 Ca 0.03 -0.91 -0.39 0.00 -2.04 0.00 0.00 64.34 61.04 3ism n VAL 116 Cb 0.37 0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 3ism n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ism s ALA 117 N -1.07 3.39 0.13 2.33 0.00 -0.97 -4.95 121.76 120.62 3ism s ALA 117 Ca 0.31 0.42 -0.35 0.00 0.00 0.00 0.00 51.96 52.34 3ism s ALA 117 Cb 0.17 -3.02 -0.15 0.00 0.00 0.00 0.00 23.12 20.11 3ism s ALA 117 CO 0.23 0.26 1.43 1.63 0.00 0.00 0.00 175.76 179.31 3ism n LYS 118 N 1.32 1.61 -4.13 0.00 5.02 -1.26 -4.82 118.16 115.91 3ism n LYS 118 Ca -0.03 0.58 -0.21 0.00 -2.02 0.00 0.00 58.31 56.63 3ism n LYS 118 Cb 0.49 -2.27 -0.17 0.00 -0.02 0.00 0.00 35.03 33.06 3ism n LYS 118 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ism s ASN 119 N 0.63 1.12 0.47 4.39 3.84 -1.26 -5.01 114.94 119.11 3ism s ASN 119 Ca 0.81 -0.14 0.14 0.00 0.21 0.00 0.00 52.86 53.87 3ism s ASN 119 Cb -0.82 -0.48 1.11 0.00 -0.55 0.00 0.00 41.25 40.51 3ism s ASN 119 CO 0.43 -0.07 2.08 -2.24 -2.79 0.00 0.00 177.10 174.52 3ism h ASP 120 N 7.34 0.20 0.07 -4.21 2.03 -1.95 -2.57 116.42 117.34 3ism h ASP 120 Ca -0.35 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 3ism h ASP 120 Cb 1.15 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 3ism h ASP 120 CO 0.44 0.14 -0.02 0.00 -1.03 0.00 0.00 179.24 178.77 3ism n ALA 121 N -2.53 2.66 -3.93 4.15 0.00 -1.26 -4.66 120.51 114.94 3ism n ALA 121 Ca 0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 3ism n ALA 121 Cb 0.16 -1.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 3ism n ALA 121 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ism s VAL 122 N -2.10 2.29 -0.32 0.00 1.01 -0.97 -4.26 120.40 116.06 3ism s VAL 122 Ca 0.40 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3ism s VAL 122 Cb 0.21 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.72 3ism s VAL 122 CO 0.38 0.52 0.07 -0.62 0.00 0.00 0.00 175.10 175.45 3ism s ASP 123 N 1.23 4.38 0.58 3.32 2.15 -1.26 -4.71 116.67 122.37 3ism s ASP 123 Ca 0.03 -1.87 0.28 0.00 0.43 0.00 0.00 52.55 51.42 3ism s ASP 123 Cb -0.14 -1.25 1.61 0.00 -0.30 0.00 0.00 42.92 42.85 3ism s ASP 123 CO -0.09 -0.39 2.07 -0.09 -0.17 0.00 0.00 175.17 176.50 3ism h ARG 124 N 7.85 0.00 0.00 4.34 2.43 -1.98 -1.04 114.38 125.98 3ism h ARG 124 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3ism h ARG 124 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3ism h ARG 124 CO 0.49 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.82 3ism n SER 125 N -3.85 0.73 -0.05 -3.80 3.41 -1.26 -2.05 113.62 106.76 3ism n SER 125 Ca 0.03 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.45 3ism n SER 125 Cb 0.37 -0.83 0.68 0.00 -0.26 0.00 0.00 64.21 64.18 3ism n SER 125 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ism n LYS 126 N -2.29 0.52 -3.42 4.33 5.02 -0.39 -4.91 118.16 117.01 3ism n LYS 126 Ca 0.02 -0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 3ism n LYS 126 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3ism n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ism s ASP 128 N -1.48 3.14 0.01 0.00 1.01 -1.26 -5.10 116.67 113.00 3ism s ASP 128 Ca 0.32 -0.49 -0.30 0.00 0.71 0.00 0.00 52.55 52.79 3ism s ASP 128 Cb -0.16 -0.89 -0.07 0.00 1.01 0.00 0.00 42.92 42.81 3ism s ASP 128 CO 0.18 0.24 1.72 -0.36 0.21 0.00 0.00 175.17 177.15 3ism s PHE 129 N -0.15 2.02 0.00 4.23 0.08 -1.26 -4.69 117.98 118.22 3ism s PHE 129 Ca -0.04 0.11 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 3ism s PHE 129 Cb -0.14 -4.00 -0.01 0.00 -0.57 0.00 0.00 43.02 38.30 3ism s PHE 129 CO 0.04 -4.20 0.03 -1.59 -0.10 0.00 0.00 175.22 169.40 3ism s LYS 130 N 3.55 0.27 0.58 0.44 -2.85 -0.61 -4.99 119.74 116.13 3ism s LYS 130 Ca 0.77 -0.36 -0.20 0.00 -1.00 0.00 0.00 55.97 55.18 3ism s LYS 130 Cb -0.38 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.46 3ism s LYS 130 CO 0.33 -0.05 1.28 1.14 0.10 0.00 0.00 175.35 178.15 3ism s GLN 131 N -1.00 2.97 -0.54 1.78 -2.07 -1.26 -0.26 119.66 119.28 3ism s GLN 131 Ca -0.11 2.04 -0.20 0.00 -1.82 0.00 0.00 55.36 55.27 3ism s GLN 131 Cb -0.07 -2.06 0.07 0.00 -1.09 0.00 0.00 33.01 29.86 3ism s GLN 131 CO -0.00 -1.26 0.69 0.34 -1.32 0.00 0.00 175.29 173.74 3ism s ASP 132 N -1.29 6.22 0.00 12.60 -1.08 -1.26 -4.77 116.67 127.09 3ism s ASP 132 Ca 0.76 -0.99 0.16 0.00 -0.52 0.00 0.00 52.55 51.96 3ism s ASP 132 Cb -0.36 -2.31 0.72 0.00 -1.46 0.00 0.00 42.92 39.51 3ism s ASP 132 CO 0.40 -1.00 1.50 -0.62 0.52 0.00 0.00 175.17 175.97 3ism n GLU 133 N 6.40 0.06 0.00 4.34 1.02 -1.26 -1.91 120.64 129.30 3ism n GLU 133 Ca -0.06 0.20 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 3ism n GLU 133 Cb 0.45 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.99 3ism n GLU 133 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ism n SER 134 N -1.44 0.04 -4.80 1.62 3.41 -1.26 -4.76 113.62 106.42 3ism n SER 134 Ca 0.05 0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 58.61 3ism n SER 134 Cb 0.17 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 3ism n SER 134 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ism s ILE 135 N -2.93 4.91 0.30 -1.33 -1.09 -0.80 -5.04 121.20 115.22 3ism s ILE 135 Ca 0.16 1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 59.35 3ism s ILE 135 Cb 0.19 -3.83 -0.12 0.00 -1.58 0.00 0.00 42.46 37.12 3ism s ILE 135 CO 0.53 0.52 1.41 1.57 -1.23 0.00 0.00 174.94 177.74 3ism n HIS 136 N 2.09 2.43 -0.37 3.97 -0.00 -1.26 -4.82 115.22 117.26 3ism n HIS 136 Ca -0.11 0.44 0.27 0.00 -0.00 0.00 0.00 57.72 58.33 3ism n HIS 136 Cb 0.51 -2.48 0.54 0.00 -0.00 0.00 0.00 29.99 28.56 3ism n HIS 136 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3ism h PRO 137 N 3.58 0.27 0.00 1.57 0.11 -1.94 -0.59 132.00 134.99 3ism h PRO 137 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ism h PRO 137 Cb 1.26 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ism h PRO 137 CO 0.70 0.18 -0.04 0.74 -0.21 0.00 0.00 178.00 179.37 3ism h PHE 138 N 0.27 0.00 -0.09 0.65 0.04 -2.01 -3.18 116.94 112.62 3ism h PHE 138 Ca 0.72 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.49 3ism h PHE 138 Cb 1.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.05 3ism h PHE 138 CO -0.01 0.04 0.00 1.19 -0.60 0.00 0.00 178.31 178.94 3ism n PHE 139 N -3.96 0.12 -3.09 -0.55 3.72 -0.24 -5.00 117.46 108.46 3ism n PHE 139 Ca -0.03 -0.49 -0.40 0.00 -0.05 0.00 0.00 57.45 56.48 3ism n PHE 139 Cb 0.13 -0.04 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 3ism n PHE 139 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3ism s ARG 140 N -0.98 4.18 0.58 -1.08 3.52 -1.16 -4.58 118.95 119.42 3ism s ARG 140 Ca 0.06 0.63 -0.16 0.00 -0.13 0.00 0.00 55.73 56.12 3ism s ARG 140 Cb 0.03 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3ism s ARG 140 CO 0.04 -0.32 1.06 -1.54 -0.81 0.00 0.00 175.30 173.73 3ism s SER 141 N 1.30 5.81 0.09 -2.12 1.04 -1.26 -4.94 113.70 113.62 3ism s SER 141 Ca 0.29 1.84 0.04 0.00 0.48 0.00 0.00 55.95 58.60 3ism s SER 141 Cb -0.16 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 3ism s SER 141 CO 0.10 -1.15 -0.11 -1.10 0.98 0.00 0.00 173.24 171.96 3ism s GLN 142 N -3.97 0.85 0.31 4.02 -1.52 -1.26 -4.70 119.66 113.39 3ism s GLN 142 Ca 0.64 -1.13 0.05 0.00 -1.95 0.00 0.00 55.36 52.97 3ism s GLN 142 Cb -0.16 -0.59 0.68 0.00 -0.22 0.00 0.00 33.01 32.72 3ism s GLN 142 CO 0.35 0.10 1.82 -0.91 -0.25 0.00 0.00 175.29 176.41 3ism h ASN 143 N 3.67 0.81 -0.43 5.90 2.35 -1.97 -0.44 115.58 125.48 3ism h ASN 143 Ca -0.38 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 55.56 3ism h ASN 143 Cb 1.19 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 3ism h ASN 143 CO 0.51 0.38 0.37 0.71 -1.65 0.00 0.00 177.43 177.75 3ism h THR 144 N 0.85 0.57 -0.11 2.81 1.35 -1.96 -0.82 112.91 115.60 3ism h THR 144 Ca 0.51 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.24 3ism h THR 144 Cb 0.69 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 3ism h THR 144 CO -0.29 0.00 -0.53 0.44 -0.25 0.00 0.00 175.52 174.90 3ism h ASP 145 N 0.00 0.34 0.47 5.36 3.32 -1.43 -3.32 116.42 121.16 3ism h ASP 145 Ca 0.21 -0.17 -0.23 0.00 0.02 0.00 0.00 57.03 56.85 3ism h ASP 145 Cb 0.94 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 3ism h ASP 145 CO -0.00 0.80 -1.70 -1.22 -1.72 0.00 0.00 179.24 175.40 3ism n TYR 146 N -3.94 0.76 -1.76 4.55 4.02 -0.57 -3.67 117.16 116.55 3ism n TYR 146 Ca -0.02 0.26 -0.42 0.00 -0.01 0.00 0.00 57.90 57.71 3ism n TYR 146 Cb 0.57 -1.06 -0.03 0.00 -0.02 0.00 0.00 39.34 38.79 3ism n TYR 146 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3ism s ARG 147 N -2.79 4.15 -1.52 -0.72 6.06 -0.42 -1.76 118.95 121.95 3ism s ARG 147 Ca -0.05 2.55 0.00 0.00 -2.50 0.00 0.00 55.73 55.73 3ism s ARG 147 Cb 0.08 -3.51 0.00 0.00 0.06 0.00 0.00 34.95 31.59 3ism s ARG 147 CO 0.82 -0.80 0.00 0.54 -2.50 0.00 0.00 175.30 173.36 3ism n ARG 148 N 5.37 -1.74 0.22 5.12 1.74 -1.26 -4.83 116.66 121.27 3ism n ARG 148 Ca 0.17 0.85 0.13 0.00 -0.77 0.00 0.00 57.85 58.23 3ism n ARG 148 Cb 0.38 -5.35 0.27 0.00 -1.02 0.00 0.00 32.46 26.73 3ism n ARG 148 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ism h SER 149 N 0.00 0.00 0.00 0.55 4.64 -1.62 -3.47 113.55 113.65 3ism h SER 149 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3ism h SER 149 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3ism h SER 149 CO 0.47 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 3ism n GLY 150 N 0.96 0.75 3.21 -0.77 0.00 -1.26 -5.07 105.19 103.01 3ism n GLY 150 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3ism n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ism s TYR 151 N -2.60 1.60 0.53 1.61 1.51 -1.26 -4.67 117.35 114.08 3ism s TYR 151 Ca 0.00 -0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 3ism s TYR 151 Cb 0.00 -0.96 -0.07 0.00 -0.11 0.00 0.00 41.96 40.82 3ism s TYR 151 CO 0.00 0.06 1.03 -0.51 -1.11 0.00 0.00 175.55 175.02 3ism s ASP 152 N -1.09 6.25 -0.59 2.29 1.11 0.56 -4.83 116.67 120.37 3ism s ASP 152 Ca 0.06 1.78 -0.28 0.00 0.18 0.00 0.00 52.55 54.29 3ism s ASP 152 Cb -0.08 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.38 3ism s ASP 152 CO 0.01 -0.85 1.44 -0.13 1.18 0.00 0.00 175.17 176.82 3ism s ARG 153 N -3.74 3.23 -0.36 8.23 0.52 -1.26 -2.00 118.95 123.57 3ism s ARG 153 Ca 0.63 0.39 -0.13 0.00 -0.52 0.00 0.00 55.73 56.10 3ism s ARG 153 Cb -0.14 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.18 3ism s ARG 153 CO 0.28 -2.03 0.24 0.20 0.02 0.00 0.00 175.30 174.02 3ism s GLY 154 N 4.65 1.96 0.19 -3.53 0.00 -0.43 -4.93 107.32 105.24 3ism s GLY 154 Ca 0.52 -1.53 -0.33 0.00 0.00 0.00 0.00 44.72 43.38 3ism s GLY 154 CO 0.23 0.82 1.60 1.42 0.00 0.00 0.00 173.10 177.17 3ism n HIS 155 N 5.10 2.43 -0.06 1.90 8.25 -1.26 -1.06 115.22 130.52 3ism n HIS 155 Ca -0.12 0.23 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 3ism n HIS 155 Cb 0.48 -2.57 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 3ism n HIS 155 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3ism h MET 156 N 5.84 0.00 -6.43 -0.41 2.86 -1.28 -3.42 114.93 112.09 3ism h MET 156 Ca -0.45 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.64 3ism h MET 156 Cb 1.24 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.82 3ism h MET 156 CO 0.88 0.25 0.94 0.00 1.06 0.00 0.00 176.91 180.04 3ism s ALA 157 N -2.49 2.97 0.44 6.32 0.00 -1.26 -4.89 121.76 122.84 3ism s ALA 157 Ca -0.06 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 3ism s ALA 157 Cb -0.00 -4.05 -0.08 0.00 0.00 0.00 0.00 23.12 18.99 3ism s ALA 157 CO 0.18 -2.76 1.24 0.00 0.00 0.00 0.00 175.76 174.42 3ism s ALA 158 N 4.98 3.10 0.30 0.00 0.00 -1.26 -4.84 121.76 124.04 3ism s ALA 158 Ca 0.39 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.45 3ism s ALA 158 Cb -0.08 -3.44 0.47 0.00 0.00 0.00 0.00 23.12 20.07 3ism s ALA 158 CO 0.22 -0.78 1.89 0.00 0.00 0.00 0.00 175.76 177.10 3ism h ALA 159 N 2.35 1.33 0.00 0.00 0.00 -1.91 -2.57 119.26 118.45 3ism h ALA 159 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3ism h ALA 159 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ism h ALA 159 CO 0.61 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.78 3ism n GLY 160 N -1.07 -1.00 0.10 0.00 0.00 -1.26 -2.39 105.19 99.57 3ism n GLY 160 Ca 0.05 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3ism n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ism n ASN 161 N -1.92 0.40 -3.37 1.61 3.02 -0.97 -4.62 115.26 109.42 3ism n ASN 161 Ca 0.01 -0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 53.78 3ism n ASN 161 Cb 0.14 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 3ism n ASN 161 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ism n HIS 162 N -1.00 -0.03 -0.70 3.10 8.25 -1.00 -4.43 115.22 119.41 3ism n HIS 162 Ca 0.15 -3.55 0.07 0.00 -0.26 0.00 0.00 57.72 54.13 3ism n HIS 162 Cb 0.27 -0.09 0.19 0.00 1.12 0.00 0.00 29.99 31.47 3ism n HIS 162 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ism n ARG 163 N 2.10 2.65 0.12 -0.41 1.74 -0.06 -3.14 116.66 119.66 3ism n ARG 163 Ca 0.26 -2.46 -0.01 0.00 -0.77 0.00 0.00 57.85 54.87 3ism n ARG 163 Cb 0.48 -1.56 0.07 0.00 -1.02 0.00 0.00 32.46 30.44 3ism n ARG 163 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3ism h LEU 164 N 1.39 0.00 -7.12 0.55 3.38 -1.85 -3.44 115.31 108.21 3ism h LEU 164 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3ism h LEU 164 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 3ism h LEU 164 CO 0.11 0.67 0.04 -2.28 0.09 0.00 0.00 178.44 177.07 3ism s HIS 165 N -3.15 -0.60 0.25 1.13 5.04 -1.26 -5.01 115.29 111.69 3ism s HIS 165 Ca 0.01 1.28 -0.05 0.00 -1.54 0.00 0.00 55.06 54.76 3ism s HIS 165 Cb 0.10 0.28 0.50 0.00 0.04 0.00 0.00 32.58 33.50 3ism s HIS 165 CO 0.76 -0.44 1.65 0.37 -2.34 0.00 0.00 174.74 174.75 3ism h GLN 166 N 4.19 0.17 -0.97 2.88 5.75 -1.90 -0.93 115.11 124.31 3ism h GLN 166 Ca -0.28 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.25 3ism h GLN 166 Cb 1.16 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.61 3ism h GLN 166 CO 0.25 0.11 0.64 -0.22 -2.65 0.00 0.00 178.83 176.96 3ism h LYS 167 N 0.18 1.19 -0.64 1.69 3.64 -1.94 0.15 116.57 120.83 3ism h LYS 167 Ca 0.44 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.71 3ism h LYS 167 Cb 0.80 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3ism h LYS 167 CO -0.61 0.79 0.25 0.45 -2.27 0.00 0.00 179.45 178.06 3ism h HIS 168 N 1.23 0.99 -0.02 1.91 3.86 -1.47 -1.97 115.15 119.68 3ism h HIS 168 Ca 0.39 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 3ism h HIS 168 Cb 0.00 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 3ism h HIS 168 CO -0.00 0.78 0.00 0.00 0.86 0.00 0.00 177.93 179.57 3ism h ASP 170 N -0.22 0.77 0.49 0.00 3.32 -0.52 -1.26 116.42 119.01 3ism h ASP 170 Ca 0.01 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3ism h ASP 170 Cb 0.26 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3ism h ASP 170 CO 0.00 0.30 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.44 3ism h GLU 171 N 0.77 0.00 0.00 3.56 5.08 -1.39 -1.60 114.58 121.01 3ism h GLU 171 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 3ism h GLU 171 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3ism h GLU 171 CO -0.34 0.05 0.00 0.25 -1.00 0.00 0.00 179.01 177.97 3ism n THR 172 N -3.30 0.45 1.11 1.13 -2.24 -0.47 -3.18 114.28 107.78 3ism n THR 172 Ca -0.01 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 3ism n THR 172 Cb 0.22 -0.73 0.36 0.00 -2.10 0.00 0.00 70.33 68.07 3ism n THR 172 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3ism n PHE 173 N -1.48 0.20 -1.73 4.78 3.72 -0.60 -4.78 117.46 117.57 3ism n PHE 173 Ca 0.06 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 3ism n PHE 173 Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3ism n PHE 173 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ism n TYR 174 N 0.57 2.79 0.26 1.38 4.01 -1.19 -1.58 117.16 123.41 3ism n TYR 174 Ca 0.17 0.10 0.13 0.00 -0.16 0.00 0.00 57.90 58.14 3ism n TYR 174 Cb 0.40 -2.66 0.66 0.00 -0.31 0.00 0.00 39.34 37.44 3ism n TYR 174 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3ism h LEU 175 N 6.23 0.00 -1.87 7.72 3.38 -0.93 0.28 115.31 130.11 3ism h LEU 175 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ism h LEU 175 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ism h LEU 175 CO 0.91 0.00 -0.00 0.77 0.09 0.00 0.00 178.44 180.21 3ism h SER 176 N 0.00 0.00 -0.16 -0.43 4.64 -1.90 -2.05 113.55 113.65 3ism h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ism h SER 176 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3ism h SER 176 CO 0.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.76 3ism n ASN 177 N -3.09 1.70 -4.72 4.97 5.15 0.09 -3.91 115.26 115.45 3ism n ASN 177 Ca -0.00 -1.71 -0.34 0.00 -0.60 0.00 0.00 54.58 51.93 3ism n ASN 177 Cb 0.24 -0.10 -0.09 0.00 -0.53 0.00 0.00 39.78 39.30 3ism n ASN 177 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3ism s MET 178 N -1.79 2.97 0.10 1.20 -1.94 -0.77 -0.71 119.30 118.35 3ism s MET 178 Ca 0.33 -0.47 0.07 0.00 -1.71 0.00 0.00 55.69 53.91 3ism s MET 178 Cb 0.18 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 3ism s MET 178 CO 0.27 0.67 -0.18 0.00 -0.01 0.00 0.00 175.02 175.77 3ism s ALA 179 N -1.02 1.59 0.06 3.03 0.00 -0.23 -4.40 121.76 120.79 3ism s ALA 179 Ca 0.17 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 3ism s ALA 179 Cb -0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 3ism s ALA 179 CO 0.07 0.26 1.83 -2.14 0.00 0.00 0.00 175.76 175.78 3ism s PRO 180 N -2.00 4.15 -0.04 0.00 0.02 -1.26 -1.31 135.00 134.56 3ism s PRO 180 Ca 0.05 2.51 0.03 0.00 0.02 0.00 0.00 61.00 63.60 3ism s PRO 180 Cb -0.09 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.58 3ism s PRO 180 CO 0.04 -0.86 -0.12 -0.65 -0.33 0.00 0.00 177.00 175.07 3ism s GLN 181 N 3.50 1.35 0.18 5.54 -0.21 -0.85 -4.40 119.66 124.77 3ism s GLN 181 Ca 0.81 -0.43 -0.33 0.00 0.02 0.00 0.00 55.36 55.44 3ism s GLN 181 Cb -0.42 -1.20 -0.15 0.00 1.00 0.00 0.00 33.01 32.24 3ism s GLN 181 CO 0.37 0.15 1.24 0.28 -2.12 0.00 0.00 175.29 175.20 3ism n VAL 182 N 3.31 0.79 0.00 1.09 0.31 -1.26 -0.33 118.33 122.24 3ism n VAL 182 Ca -0.19 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3ism n VAL 182 Cb 0.53 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 3ism n VAL 182 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ism n GLY 183 N 2.13 1.53 3.75 2.92 0.00 -1.26 -0.28 105.19 113.98 3ism n GLY 183 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3ism n GLY 183 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ism s GLN 184 N 0.00 4.18 0.00 1.61 -0.21 -1.26 -1.59 119.66 122.39 3ism s GLN 184 Ca 0.00 2.47 0.00 0.00 0.02 0.00 0.00 55.36 57.85 3ism s GLN 184 Cb 0.00 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.97 3ism s GLN 184 CO 0.00 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.05 3ism n GLY 185 N 1.83 1.15 0.00 3.09 0.00 -1.26 -4.69 105.19 105.31 3ism n GLY 185 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ism n GLY 185 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ism n PHE 186 N -2.00 0.00 -0.32 1.61 7.35 -0.86 0.49 117.46 123.74 3ism n PHE 186 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3ism n PHE 186 Cb 0.00 0.00 0.07 0.00 0.35 0.00 0.00 39.48 39.90 3ism n PHE 186 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 3ism h ASN 187 N 0.00 -1.11 1.10 -2.13 -1.24 -0.20 0.10 115.58 112.10 3ism h ASN 187 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.28 3ism h ASN 187 Cb 0.00 0.63 0.00 0.00 0.73 0.00 0.00 38.32 39.68 3ism h ASN 187 CO 0.00 -0.29 -0.04 0.54 -1.29 0.00 0.00 177.43 176.35 3ism n ARG 188 N -5.51 0.08 0.00 6.67 1.74 -0.62 -3.17 116.66 115.85 3ism n ARG 188 Ca 0.10 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3ism n ARG 188 Cb 0.41 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3ism n ARG 188 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ism n ASP 189 N -1.72 0.00 -0.29 0.55 8.00 -0.59 -4.76 116.55 117.74 3ism n ASP 189 Ca 0.06 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.64 3ism n ASP 189 Cb 0.37 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.70 3ism n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ism h ALA 190 N 1.00 1.27 -0.47 2.24 0.00 -1.66 0.25 119.26 121.88 3ism h ALA 190 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3ism h ALA 190 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ism h ALA 190 CO 0.00 -0.15 -0.08 2.35 0.00 0.00 0.00 179.25 181.37 3ism h TRP 191 N 0.56 0.99 -1.01 0.00 2.91 -1.08 -2.04 115.95 116.28 3ism h TRP 191 Ca 0.47 -0.20 0.06 0.00 1.13 0.00 0.00 58.89 60.35 3ism h TRP 191 Cb 0.72 -0.25 -0.07 0.00 -0.51 0.00 0.00 29.16 29.06 3ism h TRP 191 CO -0.11 0.96 0.65 -0.97 -1.03 0.00 0.00 178.44 177.94 3ism h ASN 192 N 0.73 1.05 -0.57 2.65 -1.24 -0.98 -0.77 115.58 116.46 3ism h ASN 192 Ca 0.12 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.18 3ism h ASN 192 Cb 0.62 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 3ism h ASN 192 CO 0.04 0.68 0.32 0.74 -1.29 0.00 0.00 177.43 177.92 3ism h THR 193 N 1.20 1.02 -0.32 -3.57 2.02 -0.23 0.96 112.91 113.98 3ism h THR 193 Ca 0.43 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 3ism h THR 193 Cb 0.13 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3ism h THR 193 CO -0.16 0.11 0.13 0.25 0.37 0.00 0.00 175.52 176.22 3ism h LEU 194 N 0.63 0.44 -0.77 2.58 5.85 -1.00 -0.90 115.31 122.15 3ism h LEU 194 Ca 0.24 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.90 3ism h LEU 194 Cb 0.08 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 3ism h LEU 194 CO -0.13 0.48 0.41 -0.33 -0.34 0.00 0.00 178.44 178.53 3ism h GLU 195 N 0.37 0.65 -0.42 1.25 5.08 -0.86 -0.78 114.58 119.87 3ism h GLU 195 Ca 0.11 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3ism h GLU 195 Cb 0.18 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3ism h GLU 195 CO -0.01 0.43 -0.11 0.00 -1.00 0.00 0.00 179.01 178.32 3ism h ALA 196 N 1.46 1.02 -0.28 3.43 0.00 -0.62 -1.91 119.26 122.36 3ism h ALA 196 Ca 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ism h ALA 196 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ism h ALA 196 CO -0.28 0.59 0.15 1.25 0.00 0.00 0.00 179.25 180.97 3ism h HIS 197 N 0.68 0.39 -0.81 0.00 -0.00 -0.39 -0.45 115.15 114.57 3ism h HIS 197 Ca 0.12 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3ism h HIS 197 Cb 0.57 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.82 3ism h HIS 197 CO 0.03 0.33 0.47 0.28 -0.00 0.00 0.00 177.93 179.04 3ism h VAL 198 N 0.33 1.23 -0.54 5.26 2.07 -0.96 -1.86 116.25 121.79 3ism h VAL 198 Ca 0.10 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 3ism h VAL 198 Cb 0.07 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 3ism h VAL 198 CO -0.02 0.24 0.08 0.03 0.02 0.00 0.00 177.57 177.93 3ism h ARG 199 N 1.12 0.89 0.00 1.57 3.08 -1.14 -2.89 114.38 117.01 3ism h ARG 199 Ca 0.29 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3ism h ARG 199 Cb -0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3ism h ARG 199 CO -0.05 0.87 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.59 3ism h ARG 200 N 0.78 0.00 0.00 0.04 2.43 -0.57 -2.50 114.38 114.56 3ism h ARG 200 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3ism h ARG 200 Cb 0.41 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3ism h ARG 200 CO 0.01 0.04 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.41 3ism h LEU 201 N 0.00 0.00 -1.05 3.80 3.38 -1.13 -1.69 115.31 118.62 3ism h LEU 201 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ism h LEU 201 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ism h LEU 201 CO 0.00 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.92 3ism n THR 202 N -3.72 0.98 0.18 0.22 -2.24 -0.94 -0.81 114.28 107.95 3ism n THR 202 Ca -0.03 0.50 0.06 0.00 -2.27 0.00 0.00 64.05 62.32 3ism n THR 202 Cb 0.12 -1.47 0.19 0.00 -2.10 0.00 0.00 70.33 67.07 3ism n THR 202 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ism h LYS 203 N 0.00 0.00 0.03 -0.78 1.57 -1.51 -3.37 116.57 112.51 3ism h LYS 203 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3ism h LYS 203 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3ism h LYS 203 CO 0.00 0.34 -2.28 2.41 -0.57 0.00 0.00 179.45 179.34 3ism n THR 204 N -3.26 1.58 -4.55 -0.16 -1.04 -0.30 -4.97 114.28 101.57 3ism n THR 204 Ca 0.02 -0.53 -0.33 0.00 -2.04 0.00 0.00 64.05 61.17 3ism n THR 204 Cb 0.60 -1.61 -0.11 0.00 -1.82 0.00 0.00 70.33 67.39 3ism n THR 204 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3ism s TYR 205 N -2.52 2.88 0.20 -1.42 2.02 0.01 -4.77 117.35 113.76 3ism s TYR 205 Ca -0.32 -0.03 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 3ism s TYR 205 Cb 0.09 -1.64 0.14 0.00 -0.40 0.00 0.00 41.96 40.15 3ism s TYR 205 CO 0.63 0.34 1.78 0.66 -1.57 0.00 0.00 175.55 177.39 3ism h SER 206 N 4.82 1.01 -3.83 2.29 4.64 -1.70 -3.38 113.55 117.40 3ism h SER 206 Ca -0.48 -0.15 -0.35 0.00 -0.47 0.00 0.00 61.79 60.34 3ism h SER 206 Cb 1.17 -0.26 -0.30 0.00 -0.31 0.00 0.00 62.40 62.70 3ism h SER 206 CO 0.53 0.88 -0.76 0.20 -0.87 0.00 0.00 176.83 176.81 3ism s ASN 207 N -6.23 0.70 -0.13 4.97 0.01 -1.25 -4.51 114.94 108.49 3ism s ASN 207 Ca -0.13 -0.10 -0.00 0.00 -0.71 0.00 0.00 52.86 51.92 3ism s ASN 207 Cb 0.15 -0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.70 3ism s ASN 207 CO 0.82 0.04 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.67 3ism s VAL 208 N 0.09 1.21 -0.13 1.60 1.01 -0.44 -1.30 120.40 122.44 3ism s VAL 208 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3ism s VAL 208 Cb -0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3ism s VAL 208 CO -0.00 0.35 -0.01 -0.31 0.00 0.00 0.00 175.10 175.13 3ism s TYR 209 N 1.63 3.11 -0.07 5.22 2.02 0.03 0.39 117.35 129.68 3ism s TYR 209 Ca 0.04 -0.02 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 3ism s TYR 209 Cb -0.13 -1.90 0.03 0.00 -0.40 0.00 0.00 41.96 39.56 3ism s TYR 209 CO -0.09 0.22 0.19 0.54 -1.57 0.00 0.00 175.55 174.83 3ism s VAL 210 N -0.19 -0.02 -0.16 0.71 0.11 -0.13 -0.49 120.40 120.24 3ism s VAL 210 Ca 0.05 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 3ism s VAL 210 Cb -0.13 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 3ism s VAL 210 CO 0.02 0.03 -0.08 0.00 -3.33 0.00 0.00 175.10 171.74 3ism s THR 212 N 0.67 1.66 0.19 0.00 2.01 -0.80 -1.04 115.64 118.33 3ism s THR 212 Ca -0.04 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 60.86 3ism s THR 212 Cb -0.15 -1.40 0.07 0.00 0.01 0.00 0.00 72.50 71.02 3ism s THR 212 CO 0.02 0.47 0.97 -0.83 -0.69 0.00 0.00 174.62 174.56 3ism s GLY 213 N -0.17 -0.05 0.43 4.40 0.00 -0.93 -1.24 107.32 109.76 3ism s GLY 213 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 44.72 44.45 3ism s GLY 213 CO 0.02 0.80 0.84 2.56 0.00 0.00 0.00 173.10 177.32 3ism s PRO 214 N -2.82 3.89 0.17 2.90 0.04 -1.26 -1.42 135.00 136.50 3ism s PRO 214 Ca 0.16 0.69 0.09 0.00 0.04 0.00 0.00 61.00 61.99 3ism s PRO 214 Cb -0.02 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 3ism s PRO 214 CO 0.04 -0.08 -0.20 -0.51 0.04 0.00 0.00 177.00 176.29 3ism s LEU 215 N -3.75 2.42 -0.53 -3.56 1.43 0.29 -4.88 118.68 110.10 3ism s LEU 215 Ca 0.55 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 3ism s LEU 215 Cb -0.10 -0.95 0.16 0.00 0.03 0.00 0.00 46.19 45.33 3ism s LEU 215 CO 0.28 0.03 0.36 -0.31 0.23 0.00 0.00 176.35 176.94 3ism s TYR 216 N -1.81 2.33 0.03 0.29 2.02 -1.26 -1.34 117.35 117.60 3ism s TYR 216 Ca 0.16 -2.74 -0.18 0.00 -0.37 0.00 0.00 57.07 53.94 3ism s TYR 216 Cb -0.07 -1.93 -0.06 0.00 -0.40 0.00 0.00 41.96 39.50 3ism s TYR 216 CO 0.07 -0.71 0.53 -0.51 -1.57 0.00 0.00 175.55 173.36 3ism s LEU 217 N -0.38 4.48 0.76 -1.29 1.43 -1.26 -4.92 118.68 117.50 3ism s LEU 217 Ca 0.24 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 3ism s LEU 217 Cb -0.10 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 43.36 3ism s LEU 217 CO -0.11 0.24 1.11 -2.16 0.23 0.00 0.00 176.35 175.66 3ism s PRO 218 N -0.82 2.22 0.13 1.29 0.04 -1.26 -4.51 135.00 132.08 3ism s PRO 218 Ca 0.28 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.67 3ism s PRO 218 Cb -0.18 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3ism s PRO 218 CO 0.17 -1.69 -0.11 -3.38 0.04 0.00 0.00 177.00 172.03 3ism s HIS 219 N -2.68 1.22 -0.12 0.56 -3.43 0.08 -4.94 115.29 105.99 3ism s HIS 219 Ca 0.64 -0.69 -0.08 0.00 -0.80 0.00 0.00 55.06 54.13 3ism s HIS 219 Cb -0.19 -0.64 -0.04 0.00 -1.43 0.00 0.00 32.58 30.28 3ism s HIS 219 CO 0.52 0.07 0.16 0.21 -2.00 0.00 0.00 174.74 173.70 3ism s LYS 220 N -3.25 3.52 0.41 -0.38 2.20 -1.26 -1.13 119.74 119.86 3ism s LYS 220 Ca 0.12 -0.10 0.08 0.00 -0.36 0.00 0.00 55.97 55.70 3ism s LYS 220 Cb -0.01 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 3ism s LYS 220 CO 0.01 0.74 0.38 -1.21 -0.36 0.00 0.00 175.35 174.91 3ism s GLU 221 N -0.93 2.55 0.46 4.03 2.02 -0.19 -4.99 118.70 121.64 3ism s GLU 221 Ca 0.15 -1.52 0.40 0.00 0.02 0.00 0.00 54.97 54.02 3ism s GLU 221 Cb -0.12 -2.40 1.45 0.00 0.10 0.00 0.00 34.13 33.16 3ism s GLU 221 CO 0.04 -0.19 1.36 -0.25 0.02 0.00 0.00 175.26 176.24 3ism n ASP 222 N -1.56 0.05 -0.20 -0.19 9.92 -1.26 -0.66 116.55 122.66 3ism n ASP 222 Ca 0.04 0.96 0.15 0.00 -0.53 0.00 0.00 54.79 55.41 3ism n ASP 222 Cb 0.62 -0.48 0.74 0.00 -0.64 0.00 0.00 41.12 41.35 3ism n ASP 222 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3ism n ASP 223 N -3.89 0.64 0.00 -2.24 5.75 -1.26 -4.89 116.55 110.66 3ism n ASP 223 Ca 0.38 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 3ism n ASP 223 Cb 1.65 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.73 3ism n ASP 223 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ism n GLY 224 N 1.11 1.35 3.92 6.12 0.00 0.17 -5.03 105.19 112.83 3ism n GLY 224 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3ism n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ism s LYS 225 N -0.15 3.47 -0.02 1.61 1.02 -1.26 -4.86 119.74 119.57 3ism s LYS 225 Ca 0.00 -0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.01 3ism s LYS 225 Cb 0.00 -2.48 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3ism s LYS 225 CO 0.00 -0.11 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.05 3ism s SER 226 N -4.10 3.95 0.03 2.83 0.01 -1.26 -1.02 113.70 114.15 3ism s SER 226 Ca 0.45 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.45 3ism s SER 226 Cb -0.10 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 3ism s SER 226 CO 0.42 0.31 -0.06 -0.31 0.41 0.00 0.00 173.24 174.01 3ism s TYR 227 N -0.80 0.49 -0.23 2.43 1.51 -0.28 -4.95 117.35 115.51 3ism s TYR 227 Ca 0.13 -0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 55.63 3ism s TYR 227 Cb -0.11 -0.31 -0.05 0.00 -0.11 0.00 0.00 41.96 41.39 3ism s TYR 227 CO 0.02 -0.11 0.14 0.08 -1.11 0.00 0.00 175.55 174.58 3ism s VAL 228 N -1.25 5.21 -0.05 0.71 1.01 -1.26 -0.74 120.40 124.03 3ism s VAL 228 Ca -0.11 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3ism s VAL 228 Cb -0.09 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3ism s VAL 228 CO -0.00 0.36 -0.08 -0.75 0.00 0.00 0.00 175.10 174.63 3ism s LYS 229 N 1.02 1.18 -0.04 2.72 2.20 -1.26 -5.03 119.74 120.53 3ism s LYS 229 Ca 0.07 -0.25 -0.17 0.00 -0.36 0.00 0.00 55.97 55.27 3ism s LYS 229 Cb -0.14 -1.06 0.03 0.00 -1.51 0.00 0.00 37.83 35.16 3ism s LYS 229 CO 0.04 -0.02 0.37 1.52 -0.36 0.00 0.00 175.35 176.90 3ism s TYR 230 N 0.73 -0.28 0.47 4.03 1.13 -1.26 -4.91 117.35 117.26 3ism s TYR 230 Ca -0.12 0.50 -0.22 0.00 -1.41 0.00 0.00 57.07 55.82 3ism s TYR 230 Cb -0.14 0.14 -0.07 0.00 -1.10 0.00 0.00 41.96 40.79 3ism s TYR 230 CO 0.02 -0.39 1.14 -2.00 -2.51 0.00 0.00 175.55 171.81 3ism s GLU 231 N -1.07 3.73 -0.08 -3.49 2.12 -1.26 -4.86 118.70 113.80 3ism s GLU 231 Ca -0.11 1.71 0.04 0.00 0.36 0.00 0.00 54.97 56.96 3ism s GLU 231 Cb -0.04 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 32.01 3ism s GLU 231 CO 0.04 -0.56 -0.21 0.14 -0.54 0.00 0.00 175.26 174.14 3ism s VAL 232 N -1.61 1.79 0.11 3.70 -7.23 -1.26 0.11 120.40 116.01 3ism s VAL 232 Ca 0.65 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 60.02 3ism s VAL 232 Cb -0.27 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3ism s VAL 232 CO 0.32 0.50 -0.10 0.27 -0.31 0.00 0.00 175.10 175.78 3ism s ILE 233 N 0.36 3.35 0.20 -0.62 -4.36 0.37 -4.72 121.20 115.78 3ism s ILE 233 Ca -0.16 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 3ism s ILE 233 Cb -0.17 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.97 3ism s ILE 233 CO 0.07 0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.95 3ism n GLY 234 N 0.63 -1.91 0.25 6.27 0.00 -1.24 -0.69 105.19 108.49 3ism n GLY 234 Ca -0.13 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.66 3ism n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ism h ALA 235 N -0.67 1.46 -0.24 4.61 0.00 -1.90 -1.54 119.26 120.98 3ism h ALA 235 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ism h ALA 235 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ism h ALA 235 CO 0.01 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.54 3ism n ASN 236 N -3.94 1.37 -3.76 0.00 3.02 -1.26 -4.96 115.26 105.73 3ism n ASN 236 Ca -0.02 -1.93 -0.27 0.00 -0.03 0.00 0.00 54.58 52.32 3ism n ASN 236 Cb 0.24 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 3ism n ASN 236 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ism n THR 237 N 0.22 -4.24 -3.00 3.41 -2.24 -0.58 -4.88 114.28 102.97 3ism n THR 237 Ca 0.10 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 3ism n THR 237 Cb 0.23 -3.39 -0.04 0.00 -2.10 0.00 0.00 70.33 65.02 3ism n THR 237 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ism s VAL 238 N -3.15 5.01 0.25 2.28 1.01 0.13 -4.66 120.40 121.26 3ism s VAL 238 Ca 0.15 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 3ism s VAL 238 Cb -0.08 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 3ism s VAL 238 CO 0.89 0.21 1.24 0.00 0.00 0.00 0.00 175.10 177.44 3ism s ALA 239 N 1.03 3.48 -0.52 5.51 0.00 -0.54 -0.48 121.76 130.23 3ism s ALA 239 Ca 0.39 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 53.24 3ism s ALA 239 Cb -0.18 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.59 3ism s ALA 239 CO 0.18 -0.45 0.56 0.08 0.00 0.00 0.00 175.76 176.13 3ism s VAL 240 N -0.52 5.02 0.73 0.00 1.01 0.12 -4.33 120.40 122.41 3ism s VAL 240 Ca 0.51 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 3ism s VAL 240 Cb -0.36 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 31.76 3ism s VAL 240 CO 0.42 -0.83 1.22 -2.84 0.00 0.00 0.00 175.10 173.07 3ism s PRO 241 N 2.19 2.15 0.07 2.72 0.02 -1.26 -4.27 135.00 136.62 3ism s PRO 241 Ca 0.09 1.80 0.06 0.00 0.02 0.00 0.00 61.00 62.97 3ism s PRO 241 Cb -0.24 -1.83 -0.23 0.00 0.02 0.00 0.00 34.50 32.23 3ism s PRO 241 CO 0.08 -1.84 1.11 1.79 -0.33 0.00 0.00 177.00 177.81 3ism h THR 242 N -0.23 1.48 -3.88 0.99 1.35 -1.56 -3.43 112.91 107.63 3ism h THR 242 Ca -0.48 -3.20 -0.10 0.00 -0.55 0.00 0.00 66.41 62.08 3ism h THR 242 Cb 1.30 2.77 -0.13 0.00 -1.73 0.00 0.00 68.15 70.36 3ism h THR 242 CO 0.50 0.86 -0.35 -1.00 -0.25 0.00 0.00 175.52 175.28 3ism s HIS 243 N -2.68 0.32 0.07 4.73 3.76 -1.16 -1.11 115.29 119.22 3ism s HIS 243 Ca -0.01 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.22 3ism s HIS 243 Cb 0.09 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.68 3ism s HIS 243 CO 0.83 -0.65 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.91 3ism s PHE 244 N -3.93 0.96 0.22 1.40 0.08 -0.28 -0.55 117.98 115.88 3ism s PHE 244 Ca 0.13 -0.57 0.10 0.00 0.12 0.00 0.00 56.93 56.70 3ism s PHE 244 Cb 0.04 -0.54 -0.05 0.00 -0.57 0.00 0.00 43.02 41.90 3ism s PHE 244 CO -0.04 -0.02 -0.18 1.52 -0.10 0.00 0.00 175.22 176.40 3ism s TYR 245 N -1.87 1.99 -0.05 0.36 -0.85 -0.51 -0.90 117.35 115.52 3ism s TYR 245 Ca -0.01 -0.45 0.03 0.00 -0.52 0.00 0.00 57.07 56.12 3ism s TYR 245 Cb -0.07 -0.91 0.01 0.00 0.38 0.00 0.00 41.96 41.37 3ism s TYR 245 CO 0.00 0.50 -0.12 0.15 -1.52 0.00 0.00 175.55 174.56 3ism s LYS 246 N -3.37 1.43 -0.14 -3.49 1.02 -1.09 -2.18 119.74 111.91 3ism s LYS 246 Ca 0.24 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.83 3ism s LYS 246 Cb -0.04 -1.24 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 3ism s LYS 246 CO 0.10 0.09 -0.14 0.08 -0.92 0.00 0.00 175.35 174.56 3ism s VAL 247 N 0.40 2.85 -0.03 3.17 1.01 -0.21 -1.37 120.40 126.23 3ism s VAL 247 Ca -0.09 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3ism s VAL 247 Cb -0.13 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3ism s VAL 247 CO 0.02 0.52 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 3ism s ILE 248 N 0.59 1.06 -0.13 2.22 1.01 0.34 -1.13 121.20 125.16 3ism s ILE 248 Ca -0.08 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3ism s ILE 248 Cb -0.16 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.42 3ism s ILE 248 CO 0.03 0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 3ism s VAL 249 N -0.02 1.63 -0.14 2.92 1.01 0.36 -1.20 120.40 124.95 3ism s VAL 249 Ca -0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3ism s VAL 249 Cb -0.08 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3ism s VAL 249 CO 0.01 0.47 0.13 -0.83 0.00 0.00 0.00 175.10 174.87 3ism s GLY 250 N 1.11 2.11 -0.27 4.51 0.00 0.26 -0.79 107.32 114.26 3ism s GLY 250 Ca -0.03 -0.66 -0.10 0.00 0.00 0.00 0.00 44.72 43.93 3ism s GLY 250 CO -0.05 -0.25 0.17 -0.54 0.00 0.00 0.00 173.10 172.43 3ism s GLU 251 N -0.66 3.91 0.76 2.90 2.02 -0.42 -1.13 118.70 126.08 3ism s GLU 251 Ca 0.13 -0.34 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 3ism s GLU 251 Cb -0.12 -3.59 0.05 0.00 0.10 0.00 0.00 34.13 30.57 3ism s GLU 251 CO 0.02 -0.16 1.10 -1.12 0.02 0.00 0.00 175.26 175.13 3ism s SER 252 N 1.66 4.90 0.56 -0.19 0.01 0.41 -2.22 113.70 118.82 3ism s SER 252 Ca 0.07 1.21 0.32 0.00 1.31 0.00 0.00 55.95 58.86 3ism s SER 252 Cb -0.16 -1.96 1.64 0.00 0.21 0.00 0.00 66.02 65.74 3ism s SER 252 CO 0.09 -1.70 2.12 0.00 0.41 0.00 0.00 173.24 174.16 3ism h ALA 253 N -0.90 1.17 -0.33 1.44 0.00 -1.88 -0.52 119.26 118.24 3ism h ALA 253 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ism h ALA 253 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ism h ALA 253 CO 0.61 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 3ism n ASP 254 N -3.43 2.13 0.00 0.00 5.68 -1.26 -4.92 116.55 114.75 3ism n ASP 254 Ca -0.02 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3ism n ASP 254 Cb 0.22 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3ism n ASP 254 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3ism n HIS 255 N 0.64 0.00 -2.02 2.11 8.25 -0.20 -5.02 115.22 118.98 3ism n HIS 255 Ca 0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.28 3ism n HIS 255 Cb 0.36 -0.63 0.02 0.00 1.12 0.00 0.00 29.99 30.86 3ism n HIS 255 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3ism s LYS 256 N -0.57 3.15 -0.10 -0.41 1.02 -1.26 -4.71 119.74 116.85 3ism s LYS 256 Ca 0.00 1.40 0.01 0.00 0.02 0.00 0.00 55.97 57.40 3ism s LYS 256 Cb 0.00 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.30 3ism s LYS 256 CO 0.00 -0.97 -0.14 -0.51 -0.92 0.00 0.00 175.35 172.81 3ism s LEU 257 N -4.39 2.70 -0.11 3.17 1.43 -1.26 -0.45 118.68 119.77 3ism s LEU 257 Ca 0.68 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 3ism s LEU 257 Cb -0.20 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.45 3ism s LEU 257 CO 0.35 0.22 -0.15 -1.00 0.23 0.00 0.00 176.35 176.00 3ism s HIS 258 N 0.02 1.93 -0.03 0.29 3.76 -0.28 -0.06 115.29 120.92 3ism s HIS 258 Ca -0.04 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 53.97 3ism s HIS 258 Cb -0.14 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 3ism s HIS 258 CO 0.04 -0.47 -0.01 1.41 -0.85 0.00 0.00 174.74 174.87 3ism s MET 259 N 0.98 2.83 0.14 1.40 1.75 -0.04 -0.57 119.30 125.78 3ism s MET 259 Ca -0.07 -0.55 0.06 0.00 -1.25 0.00 0.00 55.69 53.88 3ism s MET 259 Cb -0.15 -2.69 -0.04 0.00 2.84 0.00 0.00 34.83 34.79 3ism s MET 259 CO -0.01 0.65 -0.13 -1.21 -0.65 0.00 0.00 175.02 173.67 3ism s GLU 260 N -1.28 1.05 -0.28 4.11 2.02 -0.34 -0.64 118.70 123.34 3ism s GLU 260 Ca 0.17 -1.32 -0.07 0.00 0.02 0.00 0.00 54.97 53.77 3ism s GLU 260 Cb -0.11 -0.84 0.14 0.00 0.10 0.00 0.00 34.13 33.41 3ism s GLU 260 CO 0.07 0.15 0.58 0.45 0.02 0.00 0.00 175.26 176.52 3ism s SER 261 N -2.71 -0.95 0.04 -0.19 0.15 -1.26 -0.50 113.70 108.28 3ism s SER 261 Ca 0.12 1.23 0.06 0.00 0.70 0.00 0.00 55.95 58.07 3ism s SER 261 Cb -0.03 2.03 -0.02 0.00 -1.71 0.00 0.00 66.02 66.29 3ism s SER 261 CO 0.03 -0.24 -0.18 -0.31 1.20 0.00 0.00 173.24 173.74 3ism s TYR 262 N 2.82 1.55 -0.08 3.44 2.02 -0.47 -1.15 117.35 125.48 3ism s TYR 262 Ca 0.02 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3ism s TYR 262 Cb -0.13 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.53 3ism s TYR 262 CO -0.18 0.07 -0.10 0.08 -1.57 0.00 0.00 175.55 173.85 3ism s VAL 263 N -0.83 1.05 -0.03 0.71 1.01 0.06 -2.68 120.40 119.69 3ism s VAL 263 Ca 0.05 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.70 3ism s VAL 263 Cb -0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3ism s VAL 263 CO 0.02 0.35 -0.20 -0.04 0.00 0.00 0.00 175.10 175.23 3ism s MET 264 N 1.03 1.78 0.30 2.72 -1.94 -0.08 -4.72 119.30 118.40 3ism s MET 264 Ca -0.08 -0.72 -0.28 0.00 -1.71 0.00 0.00 55.69 52.90 3ism s MET 264 Cb -0.15 -1.65 -0.09 0.00 2.01 0.00 0.00 34.83 34.95 3ism s MET 264 CO -0.01 0.38 1.08 -1.25 -0.01 0.00 0.00 175.02 175.22 3ism s PRO 265 N -0.31 4.55 -1.26 2.03 0.04 -1.26 -1.12 135.00 137.67 3ism s PRO 265 Ca 0.04 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 3ism s PRO 265 Cb -0.09 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.39 3ism s PRO 265 CO 0.00 0.16 1.82 -1.71 0.04 0.00 0.00 177.00 177.31 3ism n ASN 266 N 0.94 4.20 -3.70 6.66 5.15 -0.27 -4.81 115.26 123.43 3ism n ASN 266 Ca 0.00 -2.83 -0.05 0.00 -0.60 0.00 0.00 54.58 51.10 3ism n ASN 266 Cb 0.46 -1.74 -0.02 0.00 -0.53 0.00 0.00 39.78 37.95 3ism n ASN 266 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ism s GLN 267 N 5.09 1.15 0.06 1.20 -2.07 -1.26 -4.74 119.66 119.09 3ism s GLN 267 Ca 0.60 -0.60 -0.31 0.00 -1.82 0.00 0.00 55.36 53.23 3ism s GLN 267 Cb 0.02 0.41 -0.08 0.00 -1.09 0.00 0.00 33.01 32.28 3ism s GLN 267 CO 0.10 -0.52 1.70 0.08 -1.32 0.00 0.00 175.29 175.33 3ism s VAL 268 N -3.29 3.04 -0.09 3.63 1.01 -1.26 -4.46 120.40 118.98 3ism s VAL 268 Ca 0.11 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.55 3ism s VAL 268 Cb -0.01 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3ism s VAL 268 CO -0.00 -0.01 -0.22 -0.63 0.00 0.00 0.00 175.10 174.24 3ism s ILE 269 N 2.95 2.24 0.24 2.22 1.01 0.18 -5.00 121.20 125.05 3ism s ILE 269 Ca 0.76 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 3ism s ILE 269 Cb -0.40 -1.85 -0.14 0.00 0.01 0.00 0.00 42.46 40.07 3ism s ILE 269 CO 0.33 0.56 1.16 -0.24 0.00 0.00 0.00 174.94 176.75 3ism n SER 270 N 3.26 1.72 0.26 3.58 2.88 -1.26 -4.67 113.62 119.38 3ism n SER 270 Ca -0.18 1.16 0.18 0.00 -1.33 0.00 0.00 58.87 58.69 3ism n SER 270 Cb 0.53 -1.31 0.87 0.00 -0.75 0.00 0.00 64.21 63.55 3ism n SER 270 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3ism h ASN 271 N 2.94 0.00 1.25 -3.46 2.35 -1.99 -2.34 115.58 114.33 3ism h ASN 271 Ca -0.42 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.27 3ism h ASN 271 Cb 1.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 3ism h ASN 271 CO 0.67 0.00 -0.26 0.44 -1.65 0.00 0.00 177.43 176.63 3ism h ASP 272 N 0.00 0.00 -2.77 5.81 5.19 -2.04 -3.46 116.42 119.16 3ism h ASP 272 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 3ism h ASP 272 Cb 0.16 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 3ism h ASP 272 CO 0.00 0.26 1.08 -0.89 -3.12 0.00 0.00 179.24 176.57 3ism s THR 273 N -3.39 3.78 0.36 0.35 2.01 -0.88 -4.97 115.64 112.89 3ism s THR 273 Ca 0.02 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.65 3ism s THR 273 Cb 0.09 -3.71 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 3ism s THR 273 CO 0.67 -0.22 1.34 -2.84 -0.69 0.00 0.00 174.62 172.88 3ism s PRO 274 N 4.32 4.19 0.42 4.92 0.02 -1.26 -4.89 135.00 142.71 3ism s PRO 274 Ca 0.69 2.27 0.30 0.00 0.02 0.00 0.00 61.00 64.27 3ism s PRO 274 Cb -0.26 -2.96 1.28 0.00 0.02 0.00 0.00 34.50 32.58 3ism s PRO 274 CO 0.27 -0.35 1.88 -0.84 -0.33 0.00 0.00 177.00 177.63 3ism h ILE 275 N 2.85 0.00 0.00 2.83 3.07 -1.97 -2.66 117.51 121.64 3ism h ILE 275 Ca -0.50 -0.32 -0.01 0.00 1.55 0.00 0.00 64.86 65.59 3ism h ILE 275 Cb 1.23 1.17 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 3ism h ILE 275 CO 0.64 0.00 -0.04 0.77 -1.05 0.00 0.00 178.15 178.47 3ism h SER 276 N 0.00 0.00 -0.89 2.16 4.64 -2.00 -1.89 113.55 115.58 3ism h SER 276 Ca 0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 3ism h SER 276 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 3ism h SER 276 CO 0.00 0.04 0.62 0.58 -0.87 0.00 0.00 176.83 177.21 3ism h VAL 277 N 0.00 0.59 -0.20 0.95 2.07 -1.86 -2.32 116.25 115.48 3ism h VAL 277 Ca -0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3ism h VAL 277 Cb 0.09 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3ism h VAL 277 CO 0.01 0.02 0.00 0.49 0.02 0.00 0.00 177.57 178.11 3ism n PHE 278 N -4.34 0.25 -2.10 1.57 3.72 -0.71 -4.92 117.46 110.93 3ism n PHE 278 Ca 0.19 -0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 3ism n PHE 278 Cb 0.88 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.39 3ism n PHE 278 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3ism s GLN 279 N -1.75 4.29 0.08 -1.08 -0.21 -0.87 -0.76 119.66 119.35 3ism s GLN 279 Ca 0.34 2.17 0.02 0.00 0.02 0.00 0.00 55.36 57.92 3ism s GLN 279 Cb 0.20 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 3ism s GLN 279 CO 0.30 -0.48 -0.08 0.14 -2.12 0.00 0.00 175.29 173.06 3ism s VAL 280 N 1.01 0.71 0.29 1.09 -7.23 -0.30 -4.91 120.40 111.06 3ism s VAL 280 Ca 0.66 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 3ism s VAL 280 Cb -0.39 -1.33 -0.13 0.00 0.56 0.00 0.00 36.38 35.09 3ism s VAL 280 CO 0.31 -0.68 1.43 -2.65 -0.31 0.00 0.00 175.10 173.21 3ism n PRO 281 N 0.48 2.26 -0.10 4.82 -0.02 -1.26 -4.56 135.00 136.62 3ism n PRO 281 Ca -0.16 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 3ism n PRO 281 Cb 0.59 -2.47 0.48 0.00 -0.02 0.00 0.00 33.50 32.07 3ism n PRO 281 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3ism h PRO 282 N 3.83 0.45 -0.15 0.52 0.13 -1.96 -1.98 132.00 132.85 3ism h PRO 282 Ca -0.46 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 3ism h PRO 282 Cb 1.26 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3ism h PRO 282 CO 0.72 0.30 -0.17 0.93 -0.23 0.00 0.00 178.00 179.56 3ism h GLU 283 N 0.47 0.24 -0.54 0.86 3.07 -1.99 -1.69 114.58 114.99 3ism h GLU 283 Ca 0.29 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 3ism h GLU 283 Cb 0.51 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 3ism h GLU 283 CO -0.09 0.41 0.27 0.77 -1.40 0.00 0.00 179.01 178.97 3ism h SER 284 N 0.22 0.70 -0.41 1.42 0.02 -1.72 -0.78 113.55 113.00 3ism h SER 284 Ca 0.04 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3ism h SER 284 Cb 0.43 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3ism h SER 284 CO 0.03 0.62 0.21 0.58 -1.14 0.00 0.00 176.83 177.13 3ism h VAL 285 N 0.72 1.16 -0.27 2.27 2.07 -1.44 -2.22 116.25 118.54 3ism h VAL 285 Ca 0.19 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3ism h VAL 285 Cb 0.10 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ism h VAL 285 CO -0.02 0.17 0.13 -0.33 0.02 0.00 0.00 177.57 177.53 3ism h GLU 286 N 0.52 0.27 -0.77 1.57 5.08 -1.08 0.31 114.58 120.48 3ism h GLU 286 Ca 0.14 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3ism h GLU 286 Cb 0.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3ism h GLU 286 CO -0.02 0.18 0.51 -0.09 -1.00 0.00 0.00 179.01 178.59 3ism h ARG 287 N 0.28 1.01 -0.16 2.33 2.43 -1.09 -1.57 114.38 117.60 3ism h ARG 287 Ca 0.11 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 3ism h ARG 287 Cb 0.03 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3ism h ARG 287 CO -0.08 0.67 -0.71 0.77 -1.51 0.00 0.00 179.97 179.11 3ism h SER 288 N 1.04 0.82 1.06 -3.80 0.02 -1.06 -3.31 113.55 108.32 3ism h SER 288 Ca 0.29 -0.51 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 3ism h SER 288 Cb -0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 3ism h SER 288 CO -0.07 1.29 -0.50 0.00 -1.14 0.00 0.00 176.83 176.42 3ism h ALA 289 N 0.70 0.82 -1.57 3.77 0.00 -0.23 -3.45 119.26 119.29 3ism h ALA 289 Ca -0.03 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 3ism h ALA 289 Cb 1.32 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3ism h ALA 289 CO 0.14 0.62 -0.19 0.41 0.00 0.00 0.00 179.25 180.23 3ism n GLY 290 N 0.68 0.24 3.16 0.00 0.00 -0.61 -5.04 105.19 103.62 3ism n GLY 290 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3ism n GLY 290 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ism s LEU 291 N -2.35 1.63 -0.13 0.99 1.43 -1.18 -4.99 118.68 114.08 3ism s LEU 291 Ca 0.07 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3ism s LEU 291 Cb -0.03 0.79 -0.02 0.00 0.03 0.00 0.00 46.19 46.96 3ism s LEU 291 CO 0.09 -0.58 -0.11 -0.76 0.23 0.00 0.00 176.35 175.22 3ism s LEU 292 N -2.35 2.84 -0.13 1.79 1.43 -1.22 -4.45 118.68 116.60 3ism s LEU 292 Ca -0.02 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3ism s LEU 292 Cb 0.01 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3ism s LEU 292 CO -0.06 0.18 0.01 -0.36 0.23 0.00 0.00 176.35 176.35 3ism s PHE 293 N 0.26 3.15 -1.43 0.29 0.08 -1.26 -3.74 117.98 115.33 3ism s PHE 293 Ca -0.08 0.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 3ism s PHE 293 Cb -0.15 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3ism s PHE 293 CO 0.05 0.25 0.64 1.19 -0.10 0.00 0.00 175.22 177.25 3ism n PHE 294 N 2.89 -1.85 0.37 0.36 3.72 -1.26 -4.83 117.46 116.85 3ism n PHE 294 Ca -0.18 0.81 0.11 0.00 -0.05 0.00 0.00 57.45 58.14 3ism n PHE 294 Cb 0.53 -3.90 0.46 0.00 -0.94 0.00 0.00 39.48 35.63 3ism n PHE 294 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ism n ASP 295 N -2.95 0.53 -0.00 4.37 5.68 -1.04 -1.24 116.55 121.90 3ism n ASP 295 Ca -0.20 0.65 0.14 0.00 -0.50 0.00 0.00 54.79 54.87 3ism n ASP 295 Cb 0.63 -0.75 0.65 0.00 -1.14 0.00 0.00 41.12 40.51 3ism n ASP 295 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ism n GLN 296 N -2.10 0.11 -3.58 0.11 1.13 -0.98 -4.60 117.38 107.46 3ism n GLN 296 Ca 0.02 -0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.69 3ism n GLN 296 Cb 0.19 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 28.93 3ism n GLN 296 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ism s ILE 297 N -2.89 5.18 0.06 5.09 1.01 -0.37 -5.05 121.20 124.23 3ism s ILE 297 Ca 0.18 -0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.47 3ism s ILE 297 Cb 0.19 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 39.02 3ism s ILE 297 CO 0.52 0.14 1.74 0.21 0.00 0.00 0.00 174.94 177.54 3ism s ASN 298 N 1.72 6.55 0.49 3.58 3.84 -1.26 -4.90 114.94 124.96 3ism s ASN 298 Ca 0.06 2.54 0.32 0.00 0.21 0.00 0.00 52.86 55.99 3ism s ASN 298 Cb -0.17 -2.56 1.73 0.00 -0.55 0.00 0.00 41.25 39.71 3ism s ASN 298 CO 0.10 -0.94 1.97 0.03 -2.79 0.00 0.00 177.10 175.47 3ism h ARG 299 N 8.86 0.00 0.00 0.43 2.47 -1.96 0.72 114.38 124.90 3ism h ARG 299 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 3ism h ARG 299 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3ism h ARG 299 CO 0.94 0.00 0.00 0.87 0.56 0.00 0.00 179.97 182.34 3ism h LYS 300 N 0.00 0.00 0.00 0.04 1.57 -2.02 -3.19 116.57 112.96 3ism h LYS 300 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ism h LYS 300 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3ism h LYS 300 CO 0.00 0.00 0.00 1.96 -0.57 0.00 0.00 179.45 180.84 3ism h GLN 301 N 0.00 0.00 -6.98 3.15 4.20 0.10 -3.46 115.11 112.12 3ism h GLN 301 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 3ism h GLN 301 Cb 0.67 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.47 3ism h GLN 301 CO 0.00 0.00 0.41 -0.51 -0.67 0.00 0.00 178.83 178.06 3ism s LEU 302 N -5.66 4.09 -0.13 1.46 1.43 -1.21 -4.60 118.68 114.06 3ism s LEU 302 Ca 0.06 2.03 -0.19 0.00 -1.03 0.00 0.00 54.13 55.01 3ism s LEU 302 Cb 0.08 -4.25 -0.25 0.00 0.03 0.00 0.00 46.19 41.80 3ism s LEU 302 CO 0.60 -0.56 0.53 0.74 0.23 0.00 0.00 176.35 177.90 3ism h THR 303 N 2.08 1.14 -3.96 5.49 2.02 -0.81 -3.41 112.91 115.46 3ism h THR 303 Ca -0.49 -2.35 -0.34 0.00 0.77 0.00 0.00 66.41 64.00 3ism h THR 303 Cb 1.22 2.74 -0.22 0.00 -1.74 0.00 0.00 68.15 70.15 3ism h THR 303 CO 0.62 0.61 -0.76 0.42 0.37 0.00 0.00 175.52 176.78 3ism s THR 304 N -2.41 0.79 -0.14 3.16 -4.23 -1.24 -0.56 115.64 111.01 3ism s THR 304 Ca -0.21 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 3ism s THR 304 Cb 0.03 -0.80 0.03 0.00 1.34 0.00 0.00 72.50 73.09 3ism s THR 304 CO 0.72 -0.28 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.78 3ism s ILE 305 N -1.26 1.41 -1.50 2.99 1.01 -0.32 -0.86 121.20 122.66 3ism s ILE 305 Ca -0.06 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 3ism s ILE 305 Cb -0.10 -1.37 0.09 0.00 0.01 0.00 0.00 42.46 41.10 3ism s ILE 305 CO 0.01 0.39 0.78 0.59 0.00 0.00 0.00 174.94 176.71 3ism n ASN 306 N 4.82 -4.28 0.00 3.58 3.02 0.19 -2.21 115.26 120.37 3ism n ASN 306 Ca -0.15 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 3ism n ASN 306 Cb 0.50 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 3ism n ASN 306 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ism n GLY 307 N -1.46 2.29 3.80 7.41 0.00 -1.26 -5.03 105.19 110.93 3ism n GLY 307 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3ism n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ism s LYS 308 N -0.65 3.95 0.35 1.61 -0.14 -0.94 -5.02 119.74 118.90 3ism s LYS 308 Ca 0.00 0.12 -0.28 0.00 -1.36 0.00 0.00 55.97 54.45 3ism s LYS 308 Cb 0.00 -3.30 -0.11 0.00 -1.68 0.00 0.00 37.83 32.74 3ism s LYS 308 CO 0.00 0.51 1.45 0.15 -0.76 0.00 0.00 175.35 176.70 3ism s LYS 309 N -0.37 4.18 -0.21 1.68 1.02 -1.26 -1.18 119.74 123.60 3ism s LYS 309 Ca 0.18 2.47 -0.21 0.00 0.02 0.00 0.00 55.97 58.43 3ism s LYS 309 Cb -0.14 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3ism s LYS 309 CO 0.06 -0.45 0.66 0.08 -0.92 0.00 0.00 175.35 174.79 3ism s VAL 310 N -0.99 4.99 0.00 3.17 1.01 0.28 -4.83 120.40 124.02 3ism s VAL 310 Ca 0.53 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3ism s VAL 310 Cb -0.45 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3ism s VAL 310 CO 0.59 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.76