#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i61 s LYS 89 N 0.00 4.07 -0.29 4.33 2.20 -0.88 -4.87 119.74 124.31 3i61 s LYS 89 Ca 0.00 1.16 -0.21 0.00 -0.36 0.00 0.00 55.97 56.57 3i61 s LYS 89 Cb 0.00 -3.75 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 3i61 s LYS 89 CO 0.00 -0.90 0.64 -1.17 -0.36 0.00 0.00 175.35 173.56 3i61 s LEU 90 N 3.71 4.12 -0.40 5.43 2.96 -1.26 -0.57 118.68 132.66 3i61 s LEU 90 Ca 0.47 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.81 3i61 s LEU 90 Cb -0.14 -2.85 0.05 0.00 0.50 0.00 0.00 46.19 43.76 3i61 s LEU 90 CO 0.16 -0.46 0.25 -0.63 -1.32 0.00 0.00 176.35 174.35 3i61 s ILE 91 N 2.60 4.53 0.01 6.68 1.01 0.86 -4.97 121.20 131.92 3i61 s ILE 91 Ca 0.26 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3i61 s ILE 91 Cb -0.15 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3i61 s ILE 91 CO 0.11 -0.38 1.24 -1.00 0.00 0.00 0.00 174.94 174.91 3i61 s HIS 92 N 1.52 3.23 -0.50 3.97 3.76 -1.26 -1.16 115.29 124.84 3i61 s HIS 92 Ca 0.02 1.17 0.04 0.00 -0.15 0.00 0.00 55.06 56.14 3i61 s HIS 92 Cb -0.21 -3.47 0.13 0.00 1.11 0.00 0.00 32.58 30.14 3i61 s HIS 92 CO 0.05 -1.54 0.25 0.08 -0.85 0.00 0.00 174.74 172.73 3i61 s VAL 93 N 1.75 2.44 0.87 -0.90 1.01 -0.28 -4.95 120.40 120.35 3i61 s VAL 93 Ca 0.59 -3.21 -0.12 0.00 0.00 0.00 0.00 61.98 59.24 3i61 s VAL 93 Cb -0.28 -2.70 0.11 0.00 0.00 0.00 0.00 36.38 33.51 3i61 s VAL 93 CO 0.26 -0.80 1.11 -2.16 0.00 0.00 0.00 175.10 173.50 3i61 s PRO 94 N -0.18 1.47 0.05 2.72 0.04 -1.26 -2.13 135.00 135.71 3i61 s PRO 94 Ca 0.17 0.57 -0.33 0.00 0.04 0.00 0.00 61.00 61.45 3i61 s PRO 94 Cb -0.26 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 3i61 s PRO 94 CO -0.00 -2.03 1.79 1.17 0.04 0.00 0.00 177.00 177.97 3i61 n LYS 95 N -3.70 2.41 -4.53 4.56 4.81 -1.03 -4.80 118.16 115.89 3i61 n LYS 95 Ca 0.07 0.88 -0.34 0.00 -0.87 0.00 0.00 58.31 58.05 3i61 n LYS 95 Cb 0.57 -2.73 -0.11 0.00 0.02 0.00 0.00 35.03 32.78 3i61 n LYS 95 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3i61 s GLU 96 N 2.83 3.08 -0.06 1.64 4.04 -1.26 -4.98 118.70 123.99 3i61 s GLU 96 Ca 0.85 -0.52 -0.07 0.00 0.04 0.00 0.00 54.97 55.28 3i61 s GLU 96 Cb -0.61 -2.72 -0.04 0.00 0.02 0.00 0.00 34.13 30.79 3i61 s GLU 96 CO 0.43 0.53 0.29 -0.44 -1.84 0.00 0.00 175.26 174.23 3i61 h ASP 97 N 5.72 -0.20 -2.15 0.83 3.32 -2.03 -3.39 116.42 118.51 3i61 h ASP 97 Ca -0.43 0.01 -0.76 0.00 0.02 0.00 0.00 57.03 55.87 3i61 h ASP 97 Cb 1.18 0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.49 3i61 h ASP 97 CO 0.56 0.22 0.73 0.59 -1.72 0.00 0.00 179.24 179.62 3i61 n ASN 98 N -4.69 6.89 -4.91 6.45 3.02 -1.26 -5.00 115.26 115.78 3i61 n ASN 98 Ca -0.03 -3.73 -0.32 0.00 -0.03 0.00 0.00 54.58 50.47 3i61 n ASN 98 Cb 0.09 -1.03 -0.04 0.00 -0.61 0.00 0.00 39.78 38.19 3i61 n ASN 98 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i61 s SER 99 N -1.67 6.44 0.28 6.41 1.04 -1.26 -5.06 113.70 119.87 3i61 s SER 99 Ca 0.44 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.03 3i61 s SER 99 Cb 0.28 -2.04 -0.10 0.00 0.10 0.00 0.00 66.02 64.26 3i61 s SER 99 CO -0.21 0.12 1.42 -1.59 0.98 0.00 0.00 173.24 173.96 3i61 s LYS 100 N -2.51 4.27 0.22 4.02 0.00 -1.26 -4.94 119.74 119.54 3i61 s LYS 100 Ca 0.37 2.31 -0.30 0.00 0.00 0.00 0.00 55.97 58.35 3i61 s LYS 100 Cb -0.13 -3.09 -0.09 0.00 0.00 0.00 0.00 37.83 34.52 3i61 s LYS 100 CO 0.25 -0.38 1.38 -2.00 0.00 0.00 0.00 175.35 174.60 3i61 s GLU 101 N -0.85 4.33 -0.16 1.78 2.12 -1.26 -5.01 118.70 119.65 3i61 s GLU 101 Ca 0.56 2.18 -0.09 0.00 0.36 0.00 0.00 54.97 57.98 3i61 s GLU 101 Cb -0.42 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 3i61 s GLU 101 CO 0.47 -0.34 0.16 0.08 -0.54 0.00 0.00 175.26 175.09 3i61 s VAL 102 N 0.10 5.42 0.31 3.70 1.01 -1.26 -5.04 120.40 124.64 3i61 s VAL 102 Ca 0.58 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.87 3i61 s VAL 102 Cb -0.39 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3i61 s VAL 102 CO 0.40 0.51 0.02 0.42 0.00 0.00 0.00 175.10 176.46 3i61 s THR 103 N -0.24 1.32 0.21 3.92 -4.23 -1.26 -4.58 115.64 110.78 3i61 s THR 103 Ca 0.12 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.50 3i61 s THR 103 Cb -0.12 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.18 3i61 s THR 103 CO 0.02 -0.10 1.86 -0.07 -0.54 0.00 0.00 174.62 175.79 3i61 h LEU 104 N 2.16 0.77 -0.57 4.79 3.38 -1.99 -1.33 115.31 122.52 3i61 h LEU 104 Ca -0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3i61 h LEU 104 Cb 1.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3i61 h LEU 104 CO 0.69 0.54 0.32 0.44 0.09 0.00 0.00 178.44 180.52 3i61 h ASP 105 N 0.91 0.71 -0.57 -0.43 3.32 -1.97 -0.32 116.42 118.06 3i61 h ASP 105 Ca 0.28 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 3i61 h ASP 105 Cb -0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3i61 h ASP 105 CO -0.09 0.59 -0.06 0.77 -1.72 0.00 0.00 179.24 178.73 3i61 h SER 106 N 0.77 1.05 -0.26 6.45 4.64 -1.90 0.20 113.55 124.50 3i61 h SER 106 Ca 0.20 -0.33 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 3i61 h SER 106 Cb 0.04 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 3i61 h SER 106 CO -0.03 1.13 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.80 3i61 h LEU 107 N 0.95 0.71 0.22 5.97 3.38 -1.12 -1.39 115.31 124.02 3i61 h LEU 107 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3i61 h LEU 107 Cb 0.63 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3i61 h LEU 107 CO 0.04 0.89 -0.10 0.25 0.09 0.00 0.00 178.44 179.61 3i61 h LEU 108 N 0.63 -0.25 -1.32 1.67 5.85 -0.63 -0.67 115.31 120.61 3i61 h LEU 108 Ca 0.10 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3i61 h LEU 108 Cb 0.66 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3i61 h LEU 108 CO 0.05 -0.03 0.47 -0.08 -0.34 0.00 0.00 178.44 178.50 3i61 h GLU 109 N -0.45 0.90 0.00 1.25 4.57 -0.56 -1.37 114.58 118.92 3i61 h GLU 109 Ca -0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3i61 h GLU 109 Cb 0.34 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3i61 h GLU 109 CO 0.05 0.60 0.00 1.49 -1.18 0.00 0.00 179.01 179.97 3i61 h GLU 110 N 0.93 0.00 0.00 1.92 4.81 -1.23 -3.47 114.58 117.54 3i61 h GLU 110 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3i61 h GLU 110 Cb -0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3i61 h GLU 110 CO -0.06 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.63 3i61 n GLY 111 N 0.42 0.75 0.17 1.92 0.00 -0.51 -4.97 105.19 102.97 3i61 n GLY 111 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 3i61 n GLY 111 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i61 h VAL 112 N 0.00 1.35 -3.51 1.61 2.07 -1.35 -3.45 116.25 112.98 3i61 h VAL 112 Ca 0.00 -2.13 -0.68 0.00 0.82 0.00 0.00 66.70 64.71 3i61 h VAL 112 Cb 0.00 2.44 -0.17 0.00 -1.52 0.00 0.00 31.29 32.04 3i61 h VAL 112 CO 0.00 0.64 -0.66 -0.76 0.02 0.00 0.00 177.57 176.81 3i61 s LEU 113 N -8.26 3.36 0.67 2.57 1.43 -1.01 -5.00 118.68 112.43 3i61 s LEU 113 Ca -0.12 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 3i61 s LEU 113 Cb 0.05 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 3i61 s LEU 113 CO 0.87 0.36 1.05 -0.62 0.23 0.00 0.00 176.35 178.25 3i61 s ASP 114 N -0.90 5.54 0.43 2.29 2.15 -1.26 -4.39 116.67 120.53 3i61 s ASP 114 Ca 0.13 1.62 0.11 0.00 0.43 0.00 0.00 52.55 54.84 3i61 s ASP 114 Cb -0.11 -2.50 0.98 0.00 -0.30 0.00 0.00 42.92 40.99 3i61 s ASP 114 CO 0.02 -1.33 2.03 0.07 -0.17 0.00 0.00 175.17 175.80 3i61 h LYS 115 N -0.52 0.42 -0.14 4.34 2.10 -1.99 -2.53 116.57 118.25 3i61 h LYS 115 Ca -0.44 -0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.00 3i61 h LYS 115 Cb 1.21 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3i61 h LYS 115 CO 0.57 0.28 -0.67 0.93 -2.00 0.00 0.00 179.45 178.56 3i61 h GLU 116 N 0.43 0.55 0.08 0.07 4.39 -1.99 -0.41 114.58 117.70 3i61 h GLU 116 Ca 0.19 -0.41 -0.26 0.00 0.34 0.00 0.00 59.36 59.22 3i61 h GLU 116 Cb 0.21 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3i61 h GLU 116 CO -0.05 1.03 -1.12 0.97 -1.16 0.00 0.00 179.01 178.68 3i61 h ILE 117 N 0.40 1.42 -0.19 3.13 6.09 -1.95 -2.99 117.51 123.42 3i61 h ILE 117 Ca -0.02 -2.71 0.05 0.00 -1.37 0.00 0.00 64.86 60.81 3i61 h ILE 117 Cb 1.24 2.69 -0.05 0.00 0.47 0.00 0.00 36.82 41.17 3i61 h ILE 117 CO 0.12 0.80 -0.15 -0.74 -3.07 0.00 0.00 178.15 175.12 3i61 h HIS 118 N 0.17 -0.37 -0.37 2.19 2.76 -1.34 -2.11 115.15 116.08 3i61 h HIS 118 Ca -0.12 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.15 3i61 h HIS 118 Cb 1.80 0.19 -0.09 0.00 1.55 0.00 0.00 27.41 30.87 3i61 h HIS 118 CO 0.07 -0.22 -0.28 -0.22 -1.30 0.00 0.00 177.93 175.99 3i61 h LYS 119 N -0.15 -0.21 -0.25 5.26 3.64 -1.15 -0.06 116.57 123.65 3i61 h LYS 119 Ca 0.11 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3i61 h LYS 119 Cb 0.32 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3i61 h LYS 119 CO -0.28 -0.14 0.16 0.00 -2.27 0.00 0.00 179.45 176.92 3i61 h ALA 120 N 0.87 0.32 -0.10 5.00 0.00 -1.32 -1.90 119.26 122.13 3i61 h ALA 120 Ca 0.18 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 3i61 h ALA 120 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i61 h ALA 120 CO -0.50 -0.22 -0.78 0.82 0.00 0.00 0.00 179.25 178.57 3i61 h ILE 121 N 0.33 1.33 -0.83 0.00 1.08 -1.28 -3.13 117.51 115.01 3i61 h ILE 121 Ca 0.10 -2.09 0.05 0.00 -0.39 0.00 0.00 64.86 62.53 3i61 h ILE 121 Cb -0.02 2.08 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 3i61 h ILE 121 CO -0.03 0.64 0.52 0.74 -0.69 0.00 0.00 178.15 179.33 3i61 h THR 122 N 0.40 1.06 0.00 -0.27 2.02 -0.80 -1.67 112.91 113.65 3i61 h THR 122 Ca -0.05 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3i61 h THR 122 Cb 1.39 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3i61 h THR 122 CO 0.15 0.18 0.00 0.54 0.37 0.00 0.00 175.52 176.75 3i61 n ARG 123 N -4.62 0.09 0.09 6.66 1.74 -0.73 -0.75 116.66 119.14 3i61 n ARG 123 Ca 0.11 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 3i61 n ARG 123 Cb 0.15 -1.68 0.45 0.00 -1.02 0.00 0.00 32.46 30.36 3i61 n ARG 123 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3i61 n MET 124 N -1.85 0.18 -3.72 5.56 2.81 -0.63 -4.95 117.12 114.52 3i61 n MET 124 Ca 0.02 0.26 -0.24 0.00 -1.81 0.00 0.00 57.70 55.93 3i61 n MET 124 Cb 0.17 -1.76 0.05 0.00 -0.71 0.00 0.00 33.22 30.97 3i61 n MET 124 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3i61 n GLU 125 N -2.07 -5.86 -2.52 0.03 1.02 0.07 -4.98 120.64 106.34 3i61 n GLU 125 Ca 0.04 0.68 -0.39 0.00 -0.02 0.00 0.00 57.16 57.47 3i61 n GLU 125 Cb 0.32 -5.49 -0.04 0.00 -0.02 0.00 0.00 31.44 26.21 3i61 n GLU 125 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i61 s PHE 126 N -3.45 3.53 0.19 -0.32 0.08 -1.26 -4.97 117.98 111.77 3i61 s PHE 126 Ca 0.32 1.70 -0.13 0.00 0.12 0.00 0.00 56.93 58.95 3i61 s PHE 126 Cb -0.15 -3.22 0.22 0.00 -0.57 0.00 0.00 43.02 39.30 3i61 s PHE 126 CO 0.79 -0.49 1.69 -1.35 -0.10 0.00 0.00 175.22 175.77 3i61 h PRO 127 N 3.48 0.15 0.00 0.24 0.11 -2.00 -3.46 132.00 130.52 3i61 h PRO 127 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i61 h PRO 127 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i61 h PRO 127 CO 0.66 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 3i61 n GLY 128 N -1.31 2.60 3.78 -0.55 0.00 -1.26 -5.15 105.19 103.30 3i61 n GLY 128 Ca 0.06 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 3i61 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i61 s LEU 129 N 0.00 4.59 0.82 0.99 1.43 -1.26 -5.06 118.68 120.18 3i61 s LEU 129 Ca 0.00 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.60 3i61 s LEU 129 Cb 0.00 -3.26 0.09 0.00 0.03 0.00 0.00 46.19 43.04 3i61 s LEU 129 CO 0.00 0.21 1.10 0.42 0.23 0.00 0.00 176.35 178.31 3i61 s THR 130 N -1.15 3.02 0.23 5.49 -4.23 -1.26 -4.70 115.64 113.03 3i61 s THR 130 Ca 0.35 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.13 3i61 s THR 130 Cb -0.23 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.06 3i61 s THR 130 CO 0.25 -0.43 1.74 -0.65 -0.54 0.00 0.00 174.62 175.00 3i61 h PRO 131 N -1.33 0.44 -0.65 3.99 0.11 -1.98 -0.39 132.00 132.20 3i61 h PRO 131 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3i61 h PRO 131 Cb 1.25 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3i61 h PRO 131 CO 0.50 0.29 0.22 -0.24 -0.21 0.00 0.00 178.00 178.57 3i61 h VAL 132 N 0.46 1.23 -0.27 3.15 3.04 -1.92 -0.87 116.25 121.07 3i61 h VAL 132 Ca 0.37 -0.78 -0.02 0.00 -1.01 0.00 0.00 66.70 65.26 3i61 h VAL 132 Cb 0.51 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 3i61 h VAL 132 CO -0.35 0.31 0.07 1.56 -1.01 0.00 0.00 177.57 178.15 3i61 h GLN 133 N 0.94 0.42 -0.92 4.17 4.20 -1.59 -1.53 115.11 120.80 3i61 h GLN 133 Ca 0.22 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.87 3i61 h GLN 133 Cb 0.23 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 3i61 h GLN 133 CO -0.01 0.50 0.60 1.96 -0.67 0.00 0.00 178.83 181.21 3i61 h GLN 134 N 0.27 1.11 0.03 1.46 4.20 -0.76 -2.84 115.11 118.57 3i61 h GLN 134 Ca 0.09 -0.07 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 3i61 h GLN 134 Cb 0.26 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3i61 h GLN 134 CO -0.00 0.73 -1.03 -0.22 -0.67 0.00 0.00 178.83 177.64 3i61 h LYS 135 N 1.14 0.06 0.00 1.46 3.64 -0.96 -3.40 116.57 118.52 3i61 h LYS 135 Ca 0.37 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3i61 h LYS 135 Cb 0.04 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3i61 h LYS 135 CO -0.11 1.03 -1.90 0.25 -2.27 0.00 0.00 179.45 176.44 3i61 n THR 136 N -3.41 0.39 0.13 1.00 -2.24 -0.60 -4.56 114.28 104.99 3i61 n THR 136 Ca -0.02 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 3i61 n THR 136 Cb 0.94 -0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.96 3i61 n THR 136 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3i61 h ILE 137 N 0.00 0.84 -0.21 2.28 2.04 -1.71 -1.77 117.51 118.98 3i61 h ILE 137 Ca -0.15 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3i61 h ILE 137 Cb 1.21 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3i61 h ILE 137 CO 0.01 0.05 -0.02 0.50 0.00 0.00 0.00 178.15 178.69 3i61 h LYS 138 N -0.37 0.37 -0.76 2.37 3.64 -1.85 -2.89 116.57 117.08 3i61 h LYS 138 Ca -0.03 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3i61 h LYS 138 Cb 0.29 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3i61 h LYS 138 CO 0.05 0.59 0.46 -1.35 -2.27 0.00 0.00 179.45 176.92 3i61 h PRO 139 N 0.12 1.03 -0.82 1.90 0.11 -1.79 -1.06 132.00 131.49 3i61 h PRO 139 Ca 0.06 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3i61 h PRO 139 Cb 0.43 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 3i61 h PRO 139 CO 0.01 0.72 0.52 0.82 -0.21 0.00 0.00 178.00 179.87 3i61 h ILE 140 N 1.05 1.22 -0.00 4.15 2.04 -1.29 -2.44 117.51 122.24 3i61 h ILE 140 Ca 0.27 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i61 h ILE 140 Cb -0.04 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3i61 h ILE 140 CO -0.05 0.22 -0.13 0.18 0.00 0.00 0.00 178.15 178.37 3i61 n LEU 141 N -4.39 0.32 -4.76 1.44 4.77 -0.83 -4.94 117.00 108.61 3i61 n LEU 141 Ca 0.09 0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.83 3i61 n LEU 141 Cb 0.04 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3i61 n LEU 141 CO 0.37 0.06 0.97 -0.55 -1.33 0.00 0.00 177.39 176.92 3i61 s SER 142 N -2.66 5.54 0.00 -1.43 0.15 -0.46 -4.89 113.70 109.95 3i61 s SER 142 Ca 0.23 2.72 0.18 0.00 0.70 0.00 0.00 55.95 59.78 3i61 s SER 142 Cb 0.20 -2.63 1.05 0.00 -1.71 0.00 0.00 66.02 62.92 3i61 s SER 142 CO 0.51 -1.38 1.54 -1.54 1.20 0.00 0.00 173.24 173.57 3i61 n SER 143 N -0.76 0.00 -4.78 5.45 3.41 -1.26 -4.83 113.62 110.85 3i61 n SER 143 Ca 0.09 -1.02 -0.33 0.00 -0.26 0.00 0.00 58.87 57.35 3i61 n SER 143 Cb 0.45 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3i61 n SER 143 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i61 s GLU 144 N -2.00 2.90 -1.21 4.33 2.02 -1.26 -4.95 118.70 118.52 3i61 s GLU 144 Ca 0.26 1.37 -0.09 0.00 0.02 0.00 0.00 54.97 56.54 3i61 s GLU 144 Cb 0.12 -1.96 0.21 0.00 0.10 0.00 0.00 34.13 32.59 3i61 s GLU 144 CO 0.20 -1.17 1.63 -3.47 0.02 0.00 0.00 175.26 172.47 3i61 n ASP 145 N -2.32 5.43 -4.06 -0.19 2.03 -1.26 -4.96 116.55 111.22 3i61 n ASP 145 Ca 0.10 -3.14 -0.10 0.00 0.52 0.00 0.00 54.79 52.18 3i61 n ASP 145 Cb 0.52 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.36 3i61 n ASP 145 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3i61 s HIS 146 N -0.14 0.54 0.47 -0.67 -3.43 -1.26 -3.96 115.29 106.84 3i61 s HIS 146 Ca 0.38 -0.70 -0.00 0.00 -0.80 0.00 0.00 55.06 53.93 3i61 s HIS 146 Cb 0.04 -0.35 -0.00 0.00 -1.43 0.00 0.00 32.58 30.84 3i61 s HIS 146 CO 0.02 -0.19 0.70 -0.51 -2.00 0.00 0.00 174.74 172.76 3i61 s ASP 147 N -2.07 5.79 -0.06 7.38 1.01 -0.60 -4.73 116.67 123.39 3i61 s ASP 147 Ca -0.05 0.33 0.02 0.00 0.71 0.00 0.00 52.55 53.57 3i61 s ASP 147 Cb -0.04 -1.54 0.01 0.00 1.01 0.00 0.00 42.92 42.37 3i61 s ASP 147 CO -0.03 -0.76 -0.10 -0.69 0.21 0.00 0.00 175.17 173.79 3i61 s VAL 148 N -2.62 0.98 -0.12 -1.27 1.01 -0.63 -1.03 120.40 116.73 3i61 s VAL 148 Ca 0.49 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3i61 s VAL 148 Cb -0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3i61 s VAL 148 CO 0.39 0.32 -0.15 -0.63 0.00 0.00 0.00 175.10 175.02 3i61 s ILE 149 N 0.65 2.85 -0.07 2.22 1.01 0.93 -0.60 121.20 128.19 3i61 s ILE 149 Ca -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3i61 s ILE 149 Cb -0.15 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.17 3i61 s ILE 149 CO 0.03 0.54 -0.06 0.00 0.00 0.00 0.00 174.94 175.44 3i61 s ALA 150 N 0.23 0.96 -0.15 9.38 0.00 0.53 -0.01 121.76 132.71 3i61 s ALA 150 Ca -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 3i61 s ALA 150 Cb -0.16 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3i61 s ALA 150 CO 0.06 -0.16 -0.07 0.50 0.00 0.00 0.00 175.76 176.09 3i61 s ARG 151 N 1.22 3.56 -0.06 0.00 3.52 -1.01 -2.42 118.95 123.76 3i61 s ARG 151 Ca -0.05 -0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 54.77 3i61 s ARG 151 Cb -0.14 -2.83 0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3i61 s ARG 151 CO -0.02 0.20 0.46 0.00 -0.81 0.00 0.00 175.30 175.13 3i61 s ALA 152 N 0.45 -1.16 0.93 6.12 0.00 -1.11 -2.13 121.76 124.86 3i61 s ALA 152 Ca -0.06 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 3i61 s ALA 152 Cb -0.15 -0.15 0.15 0.00 0.00 0.00 0.00 23.12 22.97 3i61 s ALA 152 CO 0.03 -0.28 1.11 0.15 0.00 0.00 0.00 175.76 176.78 3i61 s LYS 153 N -0.92 0.96 0.33 0.00 1.02 -1.26 -3.53 119.74 116.35 3i61 s LYS 153 Ca -0.10 1.32 -0.28 0.00 0.02 0.00 0.00 55.97 56.93 3i61 s LYS 153 Cb -0.03 -1.74 -0.12 0.00 -0.52 0.00 0.00 37.83 35.42 3i61 s LYS 153 CO 0.05 -2.60 1.33 0.25 -0.92 0.00 0.00 175.35 173.47 3i61 n THR 154 N -4.19 1.85 -1.10 2.17 -2.24 -1.26 -3.14 114.28 106.37 3i61 n THR 154 Ca 0.10 -0.46 -0.03 0.00 -2.27 0.00 0.00 64.05 61.38 3i61 n THR 154 Cb 0.53 -1.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.13 3i61 n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i61 n GLY 155 N 0.94 0.64 0.87 3.38 0.00 -1.26 -4.84 105.19 104.92 3i61 n GLY 155 Ca 0.05 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.57 3i61 n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i61 n THR 156 N -2.83 1.90 -0.43 2.61 -2.24 -1.19 -1.70 114.28 110.40 3i61 n THR 156 Ca -0.03 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.17 3i61 n THR 156 Cb 0.15 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3i61 n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i61 n GLY 157 N -0.10 1.36 0.31 3.38 0.00 -1.26 -4.55 105.19 104.33 3i61 n GLY 157 Ca 0.19 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.05 3i61 n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i61 h LYS 158 N 0.00 0.28 0.29 1.61 1.57 -1.93 -2.45 116.57 115.94 3i61 h LYS 158 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3i61 h LYS 158 Cb 0.18 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3i61 h LYS 158 CO 0.00 0.19 -0.14 1.15 -0.57 0.00 0.00 179.45 180.08 3i61 h THR 159 N 0.29 0.72 0.00 -0.16 2.02 -2.01 -2.52 112.91 111.25 3i61 h THR 159 Ca 0.14 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 3i61 h THR 159 Cb 0.21 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3i61 h THR 159 CO -0.03 0.01 -0.35 -0.26 0.37 0.00 0.00 175.52 175.26 3i61 h PHE 160 N -0.41 0.00 -0.84 3.16 0.04 -1.96 -0.76 116.94 116.17 3i61 h PHE 160 Ca -0.04 0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.93 3i61 h PHE 160 Cb 0.32 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 3i61 h PHE 160 CO -0.05 0.35 0.57 0.00 -0.60 0.00 0.00 178.31 178.58 3i61 h ALA 161 N 1.65 2.30 0.00 2.45 0.00 -1.02 -0.95 119.26 123.69 3i61 h ALA 161 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3i61 h ALA 161 Cb 0.79 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3i61 h ALA 161 CO 0.05 -0.55 -2.20 1.97 0.00 0.00 0.00 179.25 178.51 3i61 n PHE 162 N -4.46 0.00 -0.09 0.00 1.16 -0.92 -4.44 117.46 108.71 3i61 n PHE 162 Ca 0.17 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.66 3i61 n PHE 162 Cb 0.69 -0.82 0.05 0.00 -1.61 0.00 0.00 39.48 37.79 3i61 n PHE 162 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3i61 h LEU 163 N 0.00 0.83 0.41 5.98 3.38 -0.91 -2.36 115.31 122.65 3i61 h LEU 163 Ca -0.40 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.21 3i61 h LEU 163 Cb 1.89 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3i61 h LEU 163 CO 0.02 1.07 -0.20 0.40 0.09 0.00 0.00 178.44 179.82 3i61 h ILE 164 N 0.68 0.59 -0.13 1.22 2.04 -1.42 -1.11 117.51 119.39 3i61 h ILE 164 Ca 0.08 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3i61 h ILE 164 Cb 0.83 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3i61 h ILE 164 CO 0.07 0.03 -0.19 1.55 0.00 0.00 0.00 178.15 179.61 3i61 h PRO 165 N -0.65 0.21 -0.11 2.37 0.13 -1.77 -1.97 132.00 130.20 3i61 h PRO 165 Ca -0.06 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3i61 h PRO 165 Cb 0.48 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3i61 h PRO 165 CO 0.09 0.40 0.03 0.82 -0.23 0.00 0.00 178.00 179.12 3i61 h ILE 166 N 0.19 0.97 -0.83 -3.56 2.04 -1.21 0.19 117.51 115.30 3i61 h ILE 166 Ca 0.04 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3i61 h ILE 166 Cb 0.46 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3i61 h ILE 166 CO 0.03 0.02 0.52 -0.26 0.00 0.00 0.00 178.15 178.46 3i61 h PHE 167 N 0.08 0.98 -0.77 1.37 0.04 -1.00 -1.70 116.94 115.94 3i61 h PHE 167 Ca 0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3i61 h PHE 167 Cb 0.03 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 3i61 h PHE 167 CO -0.11 0.53 0.39 0.37 -0.60 0.00 0.00 178.31 178.89 3i61 h GLN 168 N 0.99 1.10 -0.57 1.51 5.75 -0.94 -0.65 115.11 122.30 3i61 h GLN 168 Ca 0.35 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3i61 h GLN 168 Cb 0.09 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3i61 h GLN 168 CO -0.14 0.85 0.20 1.25 -2.65 0.00 0.00 178.83 178.33 3i61 h HIS 169 N 1.09 0.86 -0.50 3.99 2.76 -0.47 0.24 115.15 123.11 3i61 h HIS 169 Ca 0.27 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.28 3i61 h HIS 169 Cb 0.10 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3i61 h HIS 169 CO 0.01 0.68 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.17 3i61 h LEU 170 N 0.83 0.91 -0.30 0.26 3.38 -0.66 -2.11 115.31 117.62 3i61 h LEU 170 Ca 0.19 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3i61 h LEU 170 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3i61 h LEU 170 CO -0.01 1.01 -0.07 0.40 0.09 0.00 0.00 178.44 179.86 3i61 h ILE 171 N 0.83 1.28 -0.58 1.22 2.04 -0.66 -2.01 117.51 119.63 3i61 h ILE 171 Ca 0.14 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.96 3i61 h ILE 171 Cb 0.61 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3i61 h ILE 171 CO 0.04 0.35 0.38 0.78 0.00 0.00 0.00 178.15 179.71 3i61 h ASN 172 N 0.34 0.47 -0.22 1.72 2.35 -0.35 -2.79 115.58 117.10 3i61 h ASN 172 Ca 0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3i61 h ASN 172 Cb 0.55 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 3i61 h ASN 172 CO 0.03 0.30 -0.18 0.35 -1.65 0.00 0.00 177.43 176.28 3i61 n THR 173 N -4.47 2.38 0.30 2.81 -2.24 -0.81 -4.86 114.28 107.39 3i61 n THR 173 Ca 0.08 -2.77 0.16 0.00 -2.27 0.00 0.00 64.05 59.26 3i61 n THR 173 Cb 0.25 -0.29 0.95 0.00 -2.10 0.00 0.00 70.33 69.14 3i61 n THR 173 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3i61 h LYS 174 N 0.99 0.00 -0.01 -0.78 2.10 -1.07 -1.10 116.57 116.70 3i61 h LYS 174 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 3i61 h LYS 174 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3i61 h LYS 174 CO 0.24 0.00 -0.22 1.19 -2.00 0.00 0.00 179.45 178.66 3i61 n PHE 175 N -3.74 0.00 -4.13 0.07 3.72 -1.26 -4.67 117.46 107.45 3i61 n PHE 175 Ca -0.03 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.03 3i61 n PHE 175 Cb 0.09 -0.09 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 3i61 n PHE 175 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i61 s ASP 176 N -2.40 5.30 -1.47 4.37 1.01 -0.42 -4.67 116.67 118.39 3i61 s ASP 176 Ca 0.26 -0.01 -0.07 0.00 0.71 0.00 0.00 52.55 53.44 3i61 s ASP 176 Cb 0.19 -1.90 0.05 0.00 1.01 0.00 0.00 42.92 42.28 3i61 s ASP 176 CO 0.49 0.16 0.69 -1.20 0.21 0.00 0.00 175.17 175.51 3i61 n SER 177 N 3.62 -2.14 0.17 0.27 7.64 -1.26 -4.82 113.62 117.09 3i61 n SER 177 Ca -0.17 -0.91 0.13 0.00 1.01 0.00 0.00 58.87 58.93 3i61 n SER 177 Cb 0.52 -3.42 0.54 0.00 -1.01 0.00 0.00 64.21 60.85 3i61 n SER 177 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 3i61 h GLN 178 N -1.84 0.00 -0.67 1.43 -0.00 -1.83 -1.64 115.11 110.56 3i61 h GLN 178 Ca -0.61 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.04 3i61 h GLN 178 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.85 3i61 h GLN 178 CO 0.65 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 180.14 3i61 n TYR 179 N -2.45 1.05 -4.30 0.06 4.01 -1.26 -4.82 117.16 109.45 3i61 n TYR 179 Ca 0.02 -0.48 -0.28 0.00 -0.16 0.00 0.00 57.90 57.00 3i61 n TYR 179 Cb 0.25 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.11 3i61 n TYR 179 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3i61 s MET 180 N -1.33 1.96 -0.09 -0.72 -1.94 -0.62 -4.60 119.30 111.97 3i61 s MET 180 Ca 0.46 -1.25 -0.30 0.00 -1.71 0.00 0.00 55.69 52.89 3i61 s MET 180 Cb 0.26 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 3i61 s MET 180 CO 0.28 0.45 1.37 0.08 -0.01 0.00 0.00 175.02 177.19 3i61 s VAL 181 N -1.54 4.01 -0.04 -6.03 1.01 -0.72 -4.10 120.40 112.99 3i61 s VAL 181 Ca 0.23 1.27 0.15 0.00 0.00 0.00 0.00 61.98 63.63 3i61 s VAL 181 Cb -0.09 -3.82 -0.23 0.00 0.00 0.00 0.00 36.38 32.24 3i61 s VAL 181 CO 0.14 -0.07 0.29 0.29 0.00 0.00 0.00 175.10 175.74 3i61 n LYS 182 N 6.28 0.64 -4.08 2.72 5.02 0.44 -2.91 118.16 126.27 3i61 n LYS 182 Ca 0.14 -0.12 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 3i61 n LYS 182 Cb 0.44 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.93 3i61 n LYS 182 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i61 s ALA 183 N -2.96 0.57 -0.19 7.82 0.00 -0.75 -0.97 121.76 125.29 3i61 s ALA 183 Ca -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 3i61 s ALA 183 Cb 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3i61 s ALA 183 CO 0.63 -0.05 -0.14 0.08 0.00 0.00 0.00 175.76 176.29 3i61 s VAL 184 N 0.98 2.65 -0.19 0.00 1.01 -0.36 -1.37 120.40 123.13 3i61 s VAL 184 Ca -0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3i61 s VAL 184 Cb -0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3i61 s VAL 184 CO -0.01 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.87 3i61 s ILE 185 N 1.23 3.15 -0.07 2.22 1.01 -0.17 -0.20 121.20 128.37 3i61 s ILE 185 Ca 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3i61 s ILE 185 Cb -0.14 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 3i61 s ILE 185 CO -0.06 0.47 -0.12 -0.69 0.00 0.00 0.00 174.94 174.53 3i61 s VAL 186 N 1.07 3.20 0.07 2.92 1.01 0.50 -0.83 120.40 128.34 3i61 s VAL 186 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3i61 s VAL 186 Cb -0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3i61 s VAL 186 CO -0.01 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.58 3i61 s ALA 187 N -0.57 0.84 -0.67 5.51 0.00 -0.58 -1.61 121.76 124.68 3i61 s ALA 187 Ca 0.08 -0.98 0.25 0.00 0.00 0.00 0.00 51.96 51.32 3i61 s ALA 187 Cb -0.12 0.04 0.87 0.00 0.00 0.00 0.00 23.12 23.91 3i61 s ALA 187 CO 0.01 -0.03 1.76 -0.35 0.00 0.00 0.00 175.76 177.16 3i61 n PRO 188 N 1.02 0.24 -4.19 0.00 -0.04 -1.26 -4.29 135.00 126.47 3i61 n PRO 188 Ca -0.20 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 3i61 n PRO 188 Cb 0.56 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 3i61 n PRO 188 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i61 s THR 189 N -3.16 1.12 0.18 0.52 -4.23 -1.26 -4.97 115.64 103.84 3i61 s THR 189 Ca 0.09 -1.54 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 3i61 s THR 189 Cb 0.12 -1.30 0.08 0.00 1.34 0.00 0.00 72.50 72.73 3i61 s THR 189 CO 0.54 -0.39 1.69 0.03 -0.54 0.00 0.00 174.62 175.95 3i61 h ARG 190 N 3.82 1.00 -0.51 3.99 3.08 -1.95 -2.15 114.38 121.66 3i61 h ARG 190 Ca -0.39 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.34 3i61 h ARG 190 Cb 1.19 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 3i61 h ARG 190 CO 0.47 0.91 0.02 -0.44 -1.07 0.00 0.00 179.97 179.87 3i61 h ASP 191 N 0.91 0.82 -0.42 7.04 3.32 -1.97 0.40 116.42 126.52 3i61 h ASP 191 Ca 0.19 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3i61 h ASP 191 Cb 0.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3i61 h ASP 191 CO 0.00 0.87 -0.10 0.25 -1.72 0.00 0.00 179.24 178.54 3i61 h LEU 192 N 0.80 0.82 -0.82 1.55 5.85 -1.87 0.09 115.31 121.73 3i61 h LEU 192 Ca 0.16 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3i61 h LEU 192 Cb 0.45 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3i61 h LEU 192 CO 0.02 0.99 0.51 0.00 -0.34 0.00 0.00 178.44 179.62 3i61 h ALA 193 N 0.85 1.04 -0.01 1.25 0.00 -1.01 -1.06 119.26 120.32 3i61 h ALA 193 Ca 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3i61 h ALA 193 Cb 0.63 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i61 h ALA 193 CO 0.04 0.48 -0.46 -0.07 0.00 0.00 0.00 179.25 179.24 3i61 h LEU 194 N 1.11 0.02 -0.28 0.00 3.38 -0.80 -1.80 115.31 116.93 3i61 h LEU 194 Ca 0.30 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 3i61 h LEU 194 Cb -0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3i61 h LEU 194 CO -0.06 0.48 -0.01 -0.61 0.09 0.00 0.00 178.44 178.33 3i61 h GLN 195 N 0.01 0.51 -0.83 1.13 4.15 -0.43 -1.57 115.11 118.08 3i61 h GLN 195 Ca -0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 3i61 h GLN 195 Cb 0.82 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 3i61 h GLN 195 CO 0.06 0.67 0.39 0.82 -1.93 0.00 0.00 178.83 178.83 3i61 h ILE 196 N 0.29 1.26 -0.85 2.39 2.04 -0.97 -0.61 117.51 121.06 3i61 h ILE 196 Ca 0.08 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.23 3i61 h ILE 196 Cb 0.44 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3i61 h ILE 196 CO 0.02 0.31 0.55 -0.08 0.00 0.00 0.00 178.15 178.95 3i61 h GLU 197 N 1.18 1.04 -0.20 2.37 4.81 -1.27 -1.32 114.58 121.19 3i61 h GLU 197 Ca 0.28 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3i61 h GLU 197 Cb 0.14 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3i61 h GLU 197 CO -0.03 0.69 -0.08 0.00 -0.73 0.00 0.00 179.01 178.85 3i61 h ALA 198 N 1.35 1.50 -0.36 2.92 0.00 -0.23 -1.13 119.26 123.30 3i61 h ALA 198 Ca 0.34 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3i61 h ALA 198 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i61 h ALA 198 CO -0.11 0.36 -0.38 0.93 0.00 0.00 0.00 179.25 180.04 3i61 h GLU 199 N 0.29 0.87 -0.81 0.00 4.39 -0.36 -1.40 114.58 117.56 3i61 h GLU 199 Ca 0.06 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 59.34 3i61 h GLU 199 Cb 0.34 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 3i61 h GLU 199 CO 0.02 1.10 0.52 0.28 -1.16 0.00 0.00 179.01 179.77 3i61 h VAL 200 N 0.71 1.14 -0.34 3.13 2.07 -0.90 -2.56 116.25 119.50 3i61 h VAL 200 Ca 0.06 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3i61 h VAL 200 Cb 0.96 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3i61 h VAL 200 CO 0.09 0.19 -0.02 0.11 0.02 0.00 0.00 177.57 177.96 3i61 h LYS 201 N 1.03 0.53 -0.64 1.57 1.57 -0.95 -2.02 116.57 117.68 3i61 h LYS 201 Ca 0.32 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3i61 h LYS 201 Cb -0.02 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3i61 h LYS 201 CO -0.10 0.58 0.32 0.87 -0.57 0.00 0.00 179.45 180.55 3i61 h LYS 202 N 0.51 0.89 -0.31 3.15 1.57 -0.86 -0.47 116.57 121.05 3i61 h LYS 202 Ca 0.11 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3i61 h LYS 202 Cb 0.37 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3i61 h LYS 202 CO 0.01 0.67 0.08 0.82 -0.57 0.00 0.00 179.45 180.47 3i61 h ILE 203 N 0.89 1.21 -0.99 1.86 2.04 -1.14 -2.18 117.51 119.21 3i61 h ILE 203 Ca 0.22 -0.70 0.10 0.00 1.00 0.00 0.00 64.86 65.48 3i61 h ILE 203 Cb 0.06 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 3i61 h ILE 203 CO -0.03 0.23 0.63 0.45 0.00 0.00 0.00 178.15 179.43 3i61 h HIS 204 N 0.34 1.15 0.00 1.37 3.86 -0.97 -2.39 115.15 118.51 3i61 h HIS 204 Ca 0.10 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3i61 h HIS 204 Cb 0.28 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3i61 h HIS 204 CO 0.01 0.51 -0.34 -0.44 0.86 0.00 0.00 177.93 178.53 3i61 h ASP 205 N 1.05 0.00 1.60 2.45 3.32 -0.86 -2.86 116.42 121.13 3i61 h ASP 205 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3i61 h ASP 205 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3i61 h ASP 205 CO -0.23 0.34 -0.38 0.24 -1.72 0.00 0.00 179.24 177.48 3i61 h MET 206 N 0.00 0.00 -1.86 3.56 2.86 -0.98 -3.42 114.93 115.09 3i61 h MET 206 Ca -0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 3i61 h MET 206 Cb 0.99 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.35 3i61 h MET 206 CO 0.04 0.00 -0.55 1.21 1.06 0.00 0.00 176.91 178.68 3i61 s ASN 207 N -5.84 0.65 0.59 1.22 3.84 -0.94 -4.52 114.94 109.95 3i61 s ASN 207 Ca 0.04 -0.32 0.29 0.00 0.21 0.00 0.00 52.86 53.08 3i61 s ASN 207 Cb 0.07 0.96 1.65 0.00 -0.55 0.00 0.00 41.25 43.38 3i61 s ASN 207 CO 0.71 -0.35 2.09 1.88 -2.79 0.00 0.00 177.10 178.64 3i61 h TYR 208 N 8.19 0.00 0.00 0.43 0.05 -1.76 -0.47 116.97 123.40 3i61 h TYR 208 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3i61 h TYR 208 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 3i61 h TYR 208 CO 0.23 0.00 0.16 0.78 -1.05 0.00 0.00 178.16 178.29 3i61 h GLY 209 N 0.00 0.00 -0.18 3.88 0.00 -1.96 -1.95 103.07 102.87 3i61 h GLY 209 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3i61 h GLY 209 CO -0.00 0.00 -0.36 1.04 0.00 0.00 0.00 176.54 177.21 3i61 n LEU 210 N -2.79 1.36 0.25 3.11 4.77 -0.19 -4.21 117.00 119.30 3i61 n LEU 210 Ca -0.02 -0.43 0.13 0.00 -0.03 0.00 0.00 56.01 55.66 3i61 n LEU 210 Cb 0.21 -0.08 0.80 0.00 -2.33 0.00 0.00 43.42 42.02 3i61 n LEU 210 CO 0.15 0.26 1.12 0.11 -1.33 0.00 0.00 177.39 177.69 3i61 h LYS 211 N 1.56 0.00 0.00 3.23 1.57 -1.51 -1.60 116.57 119.82 3i61 h LYS 211 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i61 h LYS 211 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3i61 h LYS 211 CO 0.00 0.00 -0.01 1.57 -0.57 0.00 0.00 179.45 180.44 3i61 h LYS 212 N 0.00 0.00 -4.43 3.15 2.10 -1.79 -3.24 116.57 112.36 3i61 h LYS 212 Ca 0.03 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.93 3i61 h LYS 212 Cb 0.14 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 31.26 3i61 h LYS 212 CO -0.00 0.01 0.89 0.71 -2.00 0.00 0.00 179.45 179.06 3i61 s TYR 213 N -4.35 3.64 0.65 0.07 2.02 -0.60 -4.89 117.35 113.88 3i61 s TYR 213 Ca -0.05 -2.10 -0.11 0.00 -0.37 0.00 0.00 57.07 54.45 3i61 s TYR 213 Cb 0.14 -4.14 -0.02 0.00 -0.40 0.00 0.00 41.96 37.54 3i61 s TYR 213 CO 0.48 -1.26 1.05 0.00 -1.57 0.00 0.00 175.55 174.25 3i61 s ALA 214 N 0.98 3.03 -0.01 3.71 0.00 -1.23 -4.81 121.76 123.44 3i61 s ALA 214 Ca 0.35 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3i61 s ALA 214 Cb -0.06 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3i61 s ALA 214 CO -0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 175.76 174.83 3i61 s VAL 216 N 0.13 0.58 -0.11 0.00 1.01 -0.92 -4.98 120.40 116.11 3i61 s VAL 216 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3i61 s VAL 216 Cb -0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3i61 s VAL 216 CO -0.00 0.17 0.18 -0.94 0.00 0.00 0.00 175.10 174.50 3i61 s SER 217 N -0.11 6.43 -0.38 3.32 1.04 -1.26 -1.81 113.70 120.93 3i61 s SER 217 Ca 0.02 0.52 0.04 0.00 0.48 0.00 0.00 55.95 57.00 3i61 s SER 217 Cb -0.04 -2.10 0.11 0.00 0.10 0.00 0.00 66.02 64.10 3i61 s SER 217 CO -0.00 0.38 0.11 -0.76 0.98 0.00 0.00 173.24 173.94 3i61 s LEU 218 N -0.90 4.38 0.07 2.42 1.43 0.76 -4.95 118.68 121.88 3i61 s LEU 218 Ca 0.16 -2.32 0.03 0.00 -1.03 0.00 0.00 54.13 50.96 3i61 s LEU 218 Cb -0.13 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3i61 s LEU 218 CO 0.05 -0.35 -0.09 0.68 0.23 0.00 0.00 176.35 176.88 3i61 s VAL 219 N 0.68 0.71 0.83 -1.59 -7.23 -1.26 -2.34 120.40 110.21 3i61 s VAL 219 Ca 0.12 -1.42 -0.10 0.00 -1.81 0.00 0.00 61.98 58.77 3i61 s VAL 219 Cb -0.21 -1.06 0.10 0.00 0.56 0.00 0.00 36.38 35.77 3i61 s VAL 219 CO -0.07 -0.52 1.11 -0.83 -0.31 0.00 0.00 175.10 174.48 3i61 s GLY 220 N -2.12 1.67 0.00 2.32 0.00 -1.26 -3.61 107.32 104.33 3i61 s GLY 220 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.06 3i61 s GLY 220 CO -0.01 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.44 3i61 n GLY 221 N -0.69 0.53 3.54 0.20 0.00 -1.26 -5.01 105.19 102.49 3i61 n GLY 221 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3i61 n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i61 s THR 222 N -2.24 2.87 -0.05 2.61 -4.23 -1.24 -4.68 115.64 108.69 3i61 s THR 222 Ca 0.00 -2.14 -0.30 0.00 -1.18 0.00 0.00 61.69 58.07 3i61 s THR 222 Cb 0.00 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 3i61 s THR 222 CO 0.00 -0.35 1.57 -0.62 -0.54 0.00 0.00 174.62 174.68 3i61 s ASP 223 N -3.45 6.72 0.06 3.99 2.15 -1.26 -4.90 116.67 119.98 3i61 s ASP 223 Ca 0.29 2.17 -0.23 0.00 0.43 0.00 0.00 52.55 55.21 3i61 s ASP 223 Cb -0.06 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 39.86 3i61 s ASP 223 CO 0.16 -0.87 1.58 0.15 -0.17 0.00 0.00 175.17 176.02 3i61 h PHE 224 N 8.98 0.05 -0.25 -5.34 3.57 -1.98 -2.26 116.94 119.71 3i61 h PHE 224 Ca -0.38 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.15 3i61 h PHE 224 Cb 1.17 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 3i61 h PHE 224 CO 0.84 0.20 0.07 -0.09 -2.23 0.00 0.00 178.31 177.10 3i61 h ARG 225 N -0.12 0.16 -0.91 1.11 2.43 -1.99 -1.36 114.38 113.71 3i61 h ARG 225 Ca 0.01 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3i61 h ARG 225 Cb 0.18 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3i61 h ARG 225 CO -0.00 0.11 0.59 0.00 -1.51 0.00 0.00 179.97 179.16 3i61 h ALA 226 N 1.17 1.45 -0.56 2.80 0.00 -1.95 0.58 119.26 122.75 3i61 h ALA 226 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3i61 h ALA 226 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3i61 h ALA 226 CO -0.13 0.45 -0.08 0.00 0.00 0.00 0.00 179.25 179.49 3i61 h ALA 227 N 1.48 0.79 -0.42 0.00 0.00 -1.01 -2.54 119.26 117.56 3i61 h ALA 227 Ca 0.37 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3i61 h ALA 227 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i61 h ALA 227 CO -0.12 0.67 -0.23 0.52 0.00 0.00 0.00 179.25 180.10 3i61 h MET 228 N 0.94 0.86 -0.90 0.00 2.07 -0.47 -0.94 114.93 116.49 3i61 h MET 228 Ca 0.15 -0.36 0.09 0.00 -2.07 0.00 0.00 59.70 57.52 3i61 h MET 228 Cb 0.65 -0.03 -0.06 0.00 -1.87 0.00 0.00 31.60 30.28 3i61 h MET 228 CO 0.04 1.00 0.58 -0.91 1.07 0.00 0.00 176.91 178.69 3i61 h ASN 229 N 0.74 0.82 -0.42 1.22 2.35 -0.85 -0.82 115.58 118.62 3i61 h ASN 229 Ca 0.10 0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 3i61 h ASN 229 Cb 0.76 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3i61 h ASN 229 CO 0.06 0.49 -0.32 0.50 -1.65 0.00 0.00 177.43 176.52 3i61 h LYS 230 N 0.91 0.95 -0.34 0.81 3.64 -0.97 -0.28 116.57 121.30 3i61 h LYS 230 Ca 0.41 -0.47 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3i61 h LYS 230 Cb 0.37 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3i61 h LYS 230 CO -0.17 1.13 0.13 0.52 -2.27 0.00 0.00 179.45 178.78 3i61 h MET 231 N 0.79 0.27 -0.27 1.90 2.86 -0.50 -0.34 114.93 119.63 3i61 h MET 231 Ca 0.08 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3i61 h MET 231 Cb 0.91 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 3i61 h MET 231 CO 0.08 0.18 -0.03 -0.91 1.06 0.00 0.00 176.91 177.29 3i61 h ASN 232 N 0.28 0.50 0.11 1.22 2.35 -1.08 0.11 115.58 119.07 3i61 h ASN 232 Ca 0.15 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3i61 h ASN 232 Cb 0.11 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3i61 h ASN 232 CO -0.14 0.72 -0.05 0.50 -1.65 0.00 0.00 177.43 176.81 3i61 h LYS 233 N 0.27 -0.14 0.00 0.81 3.64 -0.99 -3.33 116.57 116.83 3i61 h LYS 233 Ca 0.07 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 3i61 h LYS 233 Cb 0.48 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3i61 h LYS 233 CO 0.02 0.10 -1.19 -0.07 -2.27 0.00 0.00 179.45 176.04 3i61 h LEU 234 N -0.36 0.00 -3.34 5.20 3.38 -1.12 -3.49 115.31 115.58 3i61 h LEU 234 Ca -0.01 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.52 3i61 h LEU 234 Cb 0.30 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.11 3i61 h LEU 234 CO 0.02 0.37 -0.90 0.54 0.09 0.00 0.00 178.44 178.57 3i61 n ARG 235 N -2.85 -1.10 -2.14 1.13 5.12 0.38 -4.78 116.66 112.42 3i61 n ARG 235 Ca -0.05 0.51 -0.37 0.00 -1.93 0.00 0.00 57.85 56.01 3i61 n ARG 235 Cb 0.73 -3.76 0.01 0.00 -1.16 0.00 0.00 32.46 28.28 3i61 n ARG 235 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3i61 s PRO 236 N -5.86 3.49 0.12 5.56 0.04 -1.26 -4.44 135.00 132.65 3i61 s PRO 236 Ca 0.39 1.85 0.24 0.00 0.04 0.00 0.00 61.00 63.52 3i61 s PRO 236 Cb -0.15 -2.27 0.34 0.00 0.04 0.00 0.00 34.50 32.45 3i61 s PRO 236 CO 0.88 -0.79 1.32 0.09 0.04 0.00 0.00 177.00 178.53 3i61 n ASN 237 N -0.82 0.70 -4.03 6.66 5.03 -0.53 -3.05 115.26 119.21 3i61 n ASN 237 Ca 0.09 0.12 -0.27 0.00 0.87 0.00 0.00 54.58 55.39 3i61 n ASN 237 Cb 0.48 0.16 -0.17 0.00 -1.02 0.00 0.00 39.78 39.24 3i61 n ASN 237 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i61 s ILE 238 N -3.17 1.32 -0.09 2.41 1.01 -0.91 -0.42 121.20 121.35 3i61 s ILE 238 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3i61 s ILE 238 Cb 0.13 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 3i61 s ILE 238 CO 0.72 0.40 -0.19 -0.69 0.00 0.00 0.00 174.94 175.19 3i61 s VAL 239 N 0.92 2.59 -0.08 2.92 1.01 -0.47 -2.17 120.40 125.12 3i61 s VAL 239 Ca -0.09 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3i61 s VAL 239 Cb -0.15 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3i61 s VAL 239 CO 0.00 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 174.88 3i61 s ILE 240 N 0.05 3.01 0.13 2.22 1.01 -0.75 -1.00 121.20 125.87 3i61 s ILE 240 Ca -0.07 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 3i61 s ILE 240 Cb -0.15 -2.21 0.05 0.00 0.01 0.00 0.00 42.46 40.16 3i61 s ILE 240 CO 0.05 0.56 0.49 0.00 0.00 0.00 0.00 174.94 176.05 3i61 s ALA 241 N -0.26 -1.25 0.13 9.38 0.00 -0.01 -0.17 121.76 129.59 3i61 s ALA 241 Ca 0.01 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.23 3i61 s ALA 241 Cb -0.13 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3i61 s ALA 241 CO 0.03 -0.68 0.26 0.95 0.00 0.00 0.00 175.76 176.31 3i61 s THR 242 N -3.66 5.26 0.15 0.00 -4.23 -0.99 -1.53 115.64 110.65 3i61 s THR 242 Ca 0.01 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 59.69 3i61 s THR 242 Cb 0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.17 3i61 s THR 242 CO -0.11 -0.05 1.80 -0.65 -0.54 0.00 0.00 174.62 175.07 3i61 h PRO 243 N 2.35 0.45 0.17 3.99 0.11 -1.91 -2.02 132.00 135.14 3i61 h PRO 243 Ca -0.48 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3i61 h PRO 243 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3i61 h PRO 243 CO 0.69 0.30 -0.19 0.78 -0.21 0.00 0.00 178.00 179.37 3i61 h GLY 244 N 0.46 -0.40 1.52 -0.55 0.00 -1.96 -1.46 103.07 100.68 3i61 h GLY 244 Ca 0.14 0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 3i61 h GLY 244 CO -0.05 -0.18 -0.26 -0.09 0.00 0.00 0.00 176.54 175.96 3i61 h ARG 245 N -0.40 0.55 -0.31 4.80 9.65 -1.85 -2.38 114.38 124.45 3i61 h ARG 245 Ca 0.01 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 3i61 h ARG 245 Cb 0.39 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3i61 h ARG 245 CO -0.06 0.77 0.15 1.25 2.80 0.00 0.00 179.97 184.88 3i61 h LEU 246 N 0.48 0.40 -0.52 3.80 5.85 -1.08 -0.76 115.31 123.48 3i61 h LEU 246 Ca 0.07 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3i61 h LEU 246 Cb 0.71 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3i61 h LEU 246 CO 0.05 0.41 0.30 0.40 -0.34 0.00 0.00 178.44 179.26 3i61 h ILE 247 N 0.36 1.03 -0.30 4.05 2.04 -1.17 0.35 117.51 123.86 3i61 h ILE 247 Ca 0.11 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3i61 h ILE 247 Cb 0.12 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.51 3i61 h ILE 247 CO -0.01 0.11 -0.27 -0.78 0.00 0.00 0.00 178.15 177.19 3i61 h ASP 248 N 0.59 -0.89 -0.49 1.72 1.82 -1.05 0.43 116.42 118.54 3i61 h ASP 248 Ca 0.21 0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.98 3i61 h ASP 248 Cb 0.05 0.42 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 3i61 h ASP 248 CO -0.11 -0.30 0.17 0.58 -1.61 0.00 0.00 179.24 177.97 3i61 h VAL 249 N -0.25 1.22 -0.68 2.25 2.07 -0.57 -3.17 116.25 117.12 3i61 h VAL 249 Ca 0.15 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 3i61 h VAL 249 Cb 0.50 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3i61 h VAL 249 CO -0.45 0.27 0.13 -0.07 0.02 0.00 0.00 177.57 177.47 3i61 h LEU 250 N 0.65 1.05 -2.17 2.57 3.38 0.25 0.17 115.31 121.22 3i61 h LEU 250 Ca 0.16 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3i61 h LEU 250 Cb 0.25 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3i61 h LEU 250 CO -0.01 1.03 0.06 -0.33 0.09 0.00 0.00 178.44 179.29 3i61 h GLU 251 N 1.03 0.00 0.00 1.13 5.08 -0.91 -2.31 114.58 118.61 3i61 h GLU 251 Ca 0.21 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 3i61 h GLU 251 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 3i61 h GLU 251 CO 0.01 0.00 -1.99 1.63 -1.00 0.00 0.00 179.01 177.66 3i61 n LYS 252 N -4.23 1.21 -0.28 2.33 5.02 -0.96 -4.79 118.16 116.46 3i61 n LYS 252 Ca -0.01 -0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.25 3i61 n LYS 252 Cb 0.16 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3i61 n LYS 252 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i61 n TYR 253 N -2.45 0.00 -0.30 2.13 4.01 0.57 -4.86 117.16 116.26 3i61 n TYR 253 Ca -0.20 -0.17 0.02 0.00 -0.16 0.00 0.00 57.90 57.40 3i61 n TYR 253 Cb 0.86 -0.05 0.21 0.00 -0.31 0.00 0.00 39.34 40.05 3i61 n TYR 253 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3i61 h SER 254 N 0.00 0.95 -0.62 7.72 4.64 -1.54 -2.25 113.55 122.45 3i61 h SER 254 Ca 0.00 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3i61 h SER 254 Cb 1.19 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3i61 h SER 254 CO 0.00 0.64 0.02 0.78 -0.87 0.00 0.00 176.83 177.40 3i61 h ASN 255 N 1.10 1.06 -0.39 4.97 2.35 -1.89 -0.57 115.58 122.21 3i61 h ASN 255 Ca 0.36 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3i61 h ASN 255 Cb 0.05 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3i61 h ASN 255 CO -0.11 1.10 -0.03 0.50 -1.65 0.00 0.00 177.43 177.23 3i61 h LYS 256 N 0.99 0.72 0.00 0.81 3.64 -1.78 -3.39 116.57 117.57 3i61 h LYS 256 Ca 0.18 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3i61 h LYS 256 Cb 0.54 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3i61 h LYS 256 CO 0.03 0.82 -1.11 1.19 -2.27 0.00 0.00 179.45 178.11 3i61 n PHE 257 N -4.42 0.00 -1.15 1.91 3.72 -1.09 -4.88 117.46 111.54 3i61 n PHE 257 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 3i61 n PHE 257 Cb 0.31 -0.08 0.18 0.00 -0.94 0.00 0.00 39.48 38.95 3i61 n PHE 257 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3i61 n PHE 258 N -1.60 0.28 1.38 1.38 3.72 -0.22 -1.75 117.46 120.65 3i61 n PHE 258 Ca -0.01 -1.09 0.14 0.00 -0.05 0.00 0.00 57.45 56.45 3i61 n PHE 258 Cb 0.09 -0.22 0.51 0.00 -0.94 0.00 0.00 39.48 38.91 3i61 n PHE 258 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i61 n ARG 259 N -1.17 0.96 -0.93 -1.08 1.74 -1.23 -4.07 116.66 110.87 3i61 n ARG 259 Ca 0.19 -0.48 0.05 0.00 -0.77 0.00 0.00 57.85 56.84 3i61 n ARG 259 Cb 0.73 -1.49 0.12 0.00 -1.02 0.00 0.00 32.46 30.80 3i61 n ARG 259 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i61 n PHE 260 N -0.60 0.00 -2.09 -1.55 3.72 -1.26 -0.33 117.46 115.35 3i61 n PHE 260 Ca 0.15 -1.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.14 3i61 n PHE 260 Cb 0.32 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3i61 n PHE 260 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3i61 s VAL 261 N -1.76 2.94 -0.10 -4.37 1.01 -1.14 -4.45 120.40 112.53 3i61 s VAL 261 Ca 0.34 0.74 0.10 0.00 0.00 0.00 0.00 61.98 63.16 3i61 s VAL 261 Cb 0.35 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 33.12 3i61 s VAL 261 CO -0.10 0.10 0.07 0.47 0.00 0.00 0.00 175.10 175.63 3i61 n ASP 262 N 2.94 2.27 -4.06 3.32 8.00 -0.15 -4.58 116.55 124.29 3i61 n ASP 262 Ca 0.08 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.37 3i61 n ASP 262 Cb 0.41 0.87 -0.15 0.00 -0.02 0.00 0.00 41.12 42.23 3i61 n ASP 262 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i61 s TYR 263 N -2.34 1.12 -0.04 1.24 2.02 -0.75 -0.82 117.35 117.79 3i61 s TYR 263 Ca -0.05 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.47 3i61 s TYR 263 Cb 0.04 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.84 3i61 s TYR 263 CO 0.46 -0.05 -0.22 -1.59 -1.57 0.00 0.00 175.55 172.57 3i61 s LYS 264 N -0.14 2.14 -0.13 -0.62 -2.85 -0.28 -1.22 119.74 116.64 3i61 s LYS 264 Ca 0.02 -0.81 0.02 0.00 -1.00 0.00 0.00 55.97 54.20 3i61 s LYS 264 Cb -0.06 -1.90 -0.00 0.00 -2.06 0.00 0.00 37.83 33.81 3i61 s LYS 264 CO -0.00 0.39 -0.19 0.08 0.10 0.00 0.00 175.35 175.73 3i61 s VAL 265 N -0.25 2.46 -0.47 1.79 1.01 0.72 -1.06 120.40 124.61 3i61 s VAL 265 Ca 0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 3i61 s VAL 265 Cb -0.12 -2.00 0.11 0.00 0.00 0.00 0.00 36.38 34.38 3i61 s VAL 265 CO 0.02 0.54 0.36 -0.76 0.00 0.00 0.00 175.10 175.26 3i61 s LEU 266 N 0.52 5.68 0.26 3.92 1.02 0.15 -0.37 118.68 129.86 3i61 s LEU 266 Ca -0.12 -1.76 -0.25 0.00 0.02 0.00 0.00 54.13 52.02 3i61 s LEU 266 Cb -0.16 -2.06 -0.09 0.00 0.02 0.00 0.00 46.19 43.90 3i61 s LEU 266 CO 0.04 -0.69 0.86 -0.62 0.02 0.00 0.00 176.35 175.97 3i61 s ASP 267 N 2.73 7.33 -1.31 2.29 2.15 -0.63 -1.87 116.67 127.37 3i61 s ASP 267 Ca 0.04 1.72 -0.03 0.00 0.43 0.00 0.00 52.55 54.72 3i61 s ASP 267 Cb -0.26 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.84 3i61 s ASP 267 CO 0.01 0.04 0.90 -0.62 -0.17 0.00 0.00 175.17 175.34 3i61 n GLU 268 N 0.93 -6.00 -0.34 4.34 -0.58 -0.32 -4.49 120.64 114.19 3i61 n GLU 268 Ca -0.01 0.72 0.08 0.00 -0.42 0.00 0.00 57.16 57.54 3i61 n GLU 268 Cb 0.50 -5.55 0.27 0.00 -0.57 0.00 0.00 31.44 26.09 3i61 n GLU 268 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i61 h ALA 269 N 0.91 1.59 -0.83 0.62 0.00 -1.34 -0.69 119.26 119.52 3i61 h ALA 269 Ca -0.59 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3i61 h ALA 269 Cb 1.36 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3i61 h ALA 269 CO 0.55 0.15 0.40 0.38 0.00 0.00 0.00 179.25 180.74 3i61 h ASP 270 N 0.92 1.09 -0.46 0.00 2.03 -1.83 -1.89 116.42 116.28 3i61 h ASP 270 Ca 0.49 -0.14 -0.02 0.00 -0.73 0.00 0.00 57.03 56.64 3i61 h ASP 270 Cb 0.55 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 3i61 h ASP 270 CO -0.26 0.92 0.21 -0.09 -1.03 0.00 0.00 179.24 178.99 3i61 h ARG 271 N 1.18 0.66 0.00 4.15 9.65 -1.49 -2.86 114.38 125.67 3i61 h ARG 271 Ca 0.29 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3i61 h ARG 271 Cb 0.12 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3i61 h ARG 271 CO -0.04 0.57 0.00 1.28 2.80 0.00 0.00 179.97 184.59 3i61 n LEU 272 N -4.63 0.28 -0.89 3.80 4.77 -0.95 -2.23 117.00 117.15 3i61 n LEU 272 Ca 0.01 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 3i61 n LEU 272 Cb 0.12 -0.52 0.18 0.00 -2.33 0.00 0.00 43.42 40.87 3i61 n LEU 272 CO 0.37 -0.36 0.64 0.18 -1.33 0.00 0.00 177.39 176.89 3i61 n LEU 273 N -1.81 3.11 -4.86 2.23 4.77 -0.74 -2.93 117.00 116.76 3i61 n LEU 273 Ca 0.03 -1.68 -0.29 0.00 -0.03 0.00 0.00 56.01 54.04 3i61 n LEU 273 Cb 0.21 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.14 3i61 n LEU 273 CO 0.17 0.72 0.76 -1.61 -1.33 0.00 0.00 177.39 176.10 3i61 s GLU 274 N -1.14 1.98 0.35 3.23 2.02 -0.95 -4.54 118.70 119.66 3i61 s GLU 274 Ca 0.31 0.27 -0.29 0.00 0.02 0.00 0.00 54.97 55.28 3i61 s GLU 274 Cb 0.17 -1.94 -0.11 0.00 0.10 0.00 0.00 34.13 32.35 3i61 s GLU 274 CO 0.23 -1.61 1.51 0.42 0.02 0.00 0.00 175.26 175.83 3i61 s ILE 275 N -3.43 2.09 0.00 -1.63 -1.09 -1.26 -0.97 121.20 114.91 3i61 s ILE 275 Ca 0.61 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 3i61 s ILE 275 Cb -0.12 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3i61 s ILE 275 CO 0.51 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 3i61 n GLY 276 N 1.01 3.26 0.03 6.18 0.00 -1.26 -4.74 105.19 109.67 3i61 n GLY 276 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3i61 n GLY 276 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i61 n PHE 277 N -1.42 0.00 -0.12 1.61 3.72 -0.87 -4.76 117.46 115.61 3i61 n PHE 277 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3i61 n PHE 277 Cb 0.00 -0.30 0.03 0.00 -0.94 0.00 0.00 39.48 38.27 3i61 n PHE 277 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3i61 h ARG 278 N 0.00 0.32 -1.00 -1.08 2.43 -0.93 -0.09 114.38 114.04 3i61 h ARG 278 Ca -0.17 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3i61 h ARG 278 Cb 1.37 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 3i61 h ARG 278 CO 0.01 0.21 0.66 -0.44 -1.51 0.00 0.00 179.97 178.89 3i61 h ASP 279 N 0.33 1.11 -0.54 -3.80 3.32 -1.88 -1.17 116.42 113.78 3i61 h ASP 279 Ca 0.18 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3i61 h ASP 279 Cb 0.15 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3i61 h ASP 279 CO -0.17 0.78 0.05 0.44 -1.72 0.00 0.00 179.24 178.62 3i61 h ASP 280 N 1.30 0.90 0.13 6.45 3.32 -1.53 -0.72 116.42 126.27 3i61 h ASP 280 Ca 0.38 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3i61 h ASP 280 Cb -0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3i61 h ASP 280 CO -0.10 0.95 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.98 3i61 h LEU 281 N 0.81 0.30 -0.64 1.55 -0.00 -0.71 0.43 115.31 117.05 3i61 h LEU 281 Ca 0.16 -0.11 -0.14 0.00 -0.00 0.00 0.00 57.88 57.79 3i61 h LEU 281 Cb 0.46 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 3i61 h LEU 281 CO 0.02 0.62 -0.46 -0.33 -0.00 0.00 0.00 178.44 178.29 3i61 h GLU 282 N 0.26 0.53 0.05 1.13 5.08 -0.99 0.18 114.58 120.83 3i61 h GLU 282 Ca 0.03 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3i61 h GLU 282 Cb 0.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3i61 h GLU 282 CO 0.05 0.88 -0.03 1.15 -1.00 0.00 0.00 179.01 180.07 3i61 h THR 283 N 0.43 1.13 -0.23 1.13 2.02 -0.71 -0.80 112.91 115.89 3i61 h THR 283 Ca 0.03 -0.63 0.05 0.00 0.77 0.00 0.00 66.41 66.63 3i61 h THR 283 Cb 0.97 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.87 3i61 h THR 283 CO 0.09 0.16 -0.10 0.40 0.37 0.00 0.00 175.52 176.44 3i61 h ILE 284 N -0.35 0.68 -0.73 3.11 2.04 -0.87 -1.48 117.51 119.91 3i61 h ILE 284 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3i61 h ILE 284 Cb 0.31 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3i61 h ILE 284 CO 0.01 0.00 0.34 -1.28 0.00 0.00 0.00 178.15 177.22 3i61 h SER 285 N -0.07 0.96 -0.72 1.72 0.87 -0.94 -1.73 113.55 113.65 3i61 h SER 285 Ca 0.12 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3i61 h SER 285 Cb 0.25 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3i61 h SER 285 CO -0.27 0.84 0.42 1.23 -0.53 0.00 0.00 176.83 178.51 3i61 h GLY 286 N 1.02 1.06 0.68 5.77 0.00 -0.84 -1.23 103.07 109.54 3i61 h GLY 286 Ca 0.25 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3i61 h GLY 286 CO -0.03 0.44 -0.03 -2.22 0.00 0.00 0.00 176.54 174.70 3i61 h ILE 287 N 0.99 1.13 -0.68 2.60 2.04 -0.92 -1.19 117.51 121.47 3i61 h ILE 287 Ca 0.26 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.47 3i61 h ILE 287 Cb -0.00 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3i61 h ILE 287 CO -0.04 0.18 0.37 -0.07 0.00 0.00 0.00 178.15 178.58 3i61 h LEU 288 N -0.42 0.54 -0.45 1.44 3.38 -1.28 -0.59 115.31 117.92 3i61 h LEU 288 Ca -0.01 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3i61 h LEU 288 Cb 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i61 h LEU 288 CO 0.02 0.34 -0.14 0.78 0.09 0.00 0.00 178.44 179.52 3i61 h ASN 289 N 0.67 0.91 -0.36 -0.43 2.35 -1.21 -2.36 115.58 115.15 3i61 h ASN 289 Ca 0.31 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3i61 h ASN 289 Cb 0.23 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3i61 h ASN 289 CO -0.20 1.07 0.20 -0.08 -1.65 0.00 0.00 177.43 176.77 3i61 h GLU 290 N 0.73 0.50 0.00 0.81 4.81 -0.83 -3.16 114.58 117.44 3i61 h GLU 290 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3i61 h GLU 290 Cb 0.70 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3i61 h GLU 290 CO 0.05 0.42 -0.06 1.63 -0.73 0.00 0.00 179.01 180.32 3i61 n LYS 291 N -4.76 0.00 -1.96 1.92 4.76 -0.26 -4.90 118.16 112.96 3i61 n LYS 291 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3i61 n LYS 291 Cb 0.08 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 3i61 n LYS 291 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3i61 s ASN 292 N -3.01 6.61 0.49 4.39 3.84 -0.90 -4.51 114.94 121.86 3i61 s ASN 292 Ca 0.14 2.64 0.28 0.00 0.21 0.00 0.00 52.86 56.13 3i61 s ASN 292 Cb 0.19 -2.61 0.94 0.00 -0.55 0.00 0.00 41.25 39.22 3i61 s ASN 292 CO 0.55 -0.78 1.83 0.77 -2.79 0.00 0.00 177.10 176.67 3i61 h SER 293 N 6.12 0.00 0.00 -4.21 4.64 -1.03 -3.34 113.55 115.73 3i61 h SER 293 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3i61 h SER 293 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3i61 h SER 293 CO 0.86 0.06 -0.37 0.11 -0.87 0.00 0.00 176.83 176.62 3i61 h LYS 294 N 0.00 0.00 -2.35 4.77 1.57 -1.91 -3.51 116.57 115.15 3i61 h LYS 294 Ca -0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3i61 h LYS 294 Cb 0.73 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.93 3i61 h LYS 294 CO 0.01 0.00 0.47 -1.54 -0.57 0.00 0.00 179.45 177.82 3i61 s SER 295 N -5.27 -0.27 0.37 0.86 1.04 -1.26 -5.02 113.70 104.15 3i61 s SER 295 Ca -0.11 -0.22 0.27 0.00 0.48 0.00 0.00 55.95 56.38 3i61 s SER 295 Cb 0.01 0.45 1.15 0.00 0.10 0.00 0.00 66.02 67.74 3i61 s SER 295 CO 0.16 -0.79 1.82 0.00 0.98 0.00 0.00 173.24 175.40 3i61 h ALA 296 N 2.00 1.00 -0.36 5.32 0.00 -1.85 -2.82 119.26 122.55 3i61 h ALA 296 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i61 h ALA 296 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i61 h ALA 296 CO 0.28 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.13 3i61 n ASP 297 N -2.54 3.30 -0.12 0.00 5.75 -1.26 -4.70 116.55 116.97 3i61 n ASP 297 Ca 0.01 -2.25 -0.09 0.00 -0.01 0.00 0.00 54.79 52.46 3i61 n ASP 297 Cb 0.24 -0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 39.99 3i61 n ASP 297 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 3i61 h ASN 298 N 2.20 0.49 -2.85 -1.12 -0.73 -1.88 -3.44 115.58 108.24 3i61 h ASN 298 Ca 0.00 -0.10 -0.53 0.00 1.87 0.00 0.00 56.30 57.54 3i61 h ASN 298 Cb 0.94 -0.12 0.03 0.00 0.27 0.00 0.00 38.32 39.44 3i61 h ASN 298 CO 0.06 0.45 0.85 -0.63 -0.37 0.00 0.00 177.43 177.80 3i61 s ILE 299 N -5.80 3.05 0.07 2.57 1.01 -1.26 -4.95 121.20 115.89 3i61 s ILE 299 Ca -0.13 0.68 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 3i61 s ILE 299 Cb 0.10 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 3i61 s ILE 299 CO 0.74 0.03 0.50 -0.54 0.00 0.00 0.00 174.94 175.67 3i61 s LYS 300 N 1.62 4.02 -0.10 2.79 1.02 0.00 -4.56 119.74 124.53 3i61 s LYS 300 Ca 0.69 0.53 0.03 0.00 0.02 0.00 0.00 55.97 57.24 3i61 s LYS 300 Cb -0.39 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 3i61 s LYS 300 CO 0.31 0.61 -0.20 0.99 -0.92 0.00 0.00 175.35 176.13 3i61 s THR 301 N -1.22 2.40 -0.15 2.17 2.01 -1.26 -1.13 115.64 118.46 3i61 s THR 301 Ca 0.30 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.39 3i61 s THR 301 Cb -0.17 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 3i61 s THR 301 CO 0.17 0.55 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.76 3i61 s LEU 302 N 0.26 2.57 -0.18 4.42 1.43 -0.22 -1.60 118.68 125.36 3i61 s LEU 302 Ca -0.14 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3i61 s LEU 302 Cb -0.17 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3i61 s LEU 302 CO 0.07 0.10 -0.08 -0.76 0.23 0.00 0.00 176.35 175.91 3i61 s LEU 303 N 0.74 2.83 -0.05 1.79 1.43 0.23 -0.67 118.68 124.99 3i61 s LEU 303 Ca -0.06 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 3i61 s LEU 303 Cb -0.15 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3i61 s LEU 303 CO 0.01 0.07 -0.19 -0.36 0.23 0.00 0.00 176.35 176.11 3i61 s PHE 304 N 0.95 1.88 -0.03 0.29 0.08 -0.78 -0.35 117.98 120.03 3i61 s PHE 304 Ca -0.01 -0.54 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 3i61 s PHE 304 Cb -0.15 -1.26 0.11 0.00 -0.57 0.00 0.00 43.02 41.15 3i61 s PHE 304 CO -0.00 -0.17 0.92 0.45 -0.10 0.00 0.00 175.22 176.31 3i61 s SER 305 N -0.02 -0.35 0.42 1.36 0.15 -1.02 -1.17 113.70 113.06 3i61 s SER 305 Ca -0.03 0.02 0.26 0.00 0.70 0.00 0.00 55.95 56.90 3i61 s SER 305 Cb -0.12 0.36 0.64 0.00 -1.71 0.00 0.00 66.02 65.20 3i61 s SER 305 CO 0.02 -0.58 1.71 0.00 1.20 0.00 0.00 173.24 175.60 3i61 h ALA 306 N 2.03 1.00 -3.34 5.45 0.00 -1.87 -2.94 119.26 119.59 3i61 h ALA 306 Ca -0.21 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.09 3i61 h ALA 306 Cb 1.23 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 3i61 h ALA 306 CO 0.30 0.00 -0.74 0.95 0.00 0.00 0.00 179.25 179.76 3i61 s THR 307 N -3.28 1.43 0.10 0.00 -4.23 -1.26 -4.72 115.64 103.67 3i61 s THR 307 Ca 0.06 -1.82 -0.25 0.00 -1.18 0.00 0.00 61.69 58.50 3i61 s THR 307 Cb 0.07 -2.06 0.08 0.00 1.34 0.00 0.00 72.50 71.93 3i61 s THR 307 CO 0.62 -0.66 0.68 -1.48 -0.54 0.00 0.00 174.62 173.24 3i61 s LEU 308 N 1.27 -0.52 0.00 4.79 0.05 -1.26 -4.58 118.68 118.43 3i61 s LEU 308 Ca 0.11 0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.33 3i61 s LEU 308 Cb -0.18 2.44 0.00 0.00 -2.05 0.00 0.00 46.19 46.40 3i61 s LEU 308 CO -0.18 -0.86 0.00 -0.90 -0.55 0.00 0.00 176.35 173.87 3i61 n ASP 309 N -0.26 0.00 0.15 1.48 5.68 -1.26 -4.99 116.55 117.35 3i61 n ASP 309 Ca -0.15 -0.38 0.10 0.00 -0.50 0.00 0.00 54.79 53.86 3i61 n ASP 309 Cb 0.64 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.23 3i61 n ASP 309 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3i61 h ASP 310 N 0.00 0.09 0.29 -1.12 5.19 -2.03 -2.88 116.42 115.96 3i61 h ASP 310 Ca 0.00 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3i61 h ASP 310 Cb 0.00 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 3i61 h ASP 310 CO 0.00 0.06 -0.09 0.11 -3.12 0.00 0.00 179.24 176.20 3i61 h LYS 311 N 0.11 0.00 0.00 3.56 6.56 -2.02 -2.59 116.57 122.18 3i61 h LYS 311 Ca 0.08 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.61 3i61 h LYS 311 Cb 0.20 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 3i61 h LYS 311 CO -0.01 0.09 -0.32 -0.39 -2.06 0.00 0.00 179.45 176.76 3i61 h VAL 312 N 0.00 1.22 -0.74 0.50 -1.51 -1.92 -2.72 116.25 111.08 3i61 h VAL 312 Ca -0.00 -1.11 -0.00 0.00 -1.23 0.00 0.00 66.70 64.35 3i61 h VAL 312 Cb 0.27 1.60 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 3i61 h VAL 312 CO 0.01 0.32 0.45 -0.61 -1.23 0.00 0.00 177.57 176.51 3i61 h GLN 313 N 0.00 1.01 0.23 5.19 4.15 -1.65 0.10 115.11 124.14 3i61 h GLN 313 Ca -0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 3i61 h GLN 313 Cb 0.57 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3i61 h GLN 313 CO 0.04 0.72 -0.16 -0.22 -1.93 0.00 0.00 178.83 177.28 3i61 h LYS 314 N 1.02 -0.38 -0.56 1.69 3.64 -1.61 -1.64 116.57 118.73 3i61 h LYS 314 Ca 0.27 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 3i61 h LYS 314 Cb -0.03 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3i61 h LYS 314 CO -0.05 -0.25 0.37 -0.07 -2.27 0.00 0.00 179.45 177.18 3i61 h LEU 315 N -0.39 0.50 -0.67 5.20 3.38 -1.35 -1.92 115.31 120.07 3i61 h LEU 315 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i61 h LEU 315 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i61 h LEU 315 CO 0.00 0.34 -0.06 0.00 0.09 0.00 0.00 178.44 178.81 3i61 n ALA 316 N -2.48 2.71 -0.29 1.53 0.00 -0.00 -4.52 120.51 117.46 3i61 n ALA 316 Ca 0.07 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.24 3i61 n ALA 316 Cb 0.19 -1.22 0.28 0.00 0.00 0.00 0.00 19.45 18.70 3i61 n ALA 316 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3i61 h ASN 317 N 1.63 0.21 1.02 0.00 -1.24 -0.46 0.29 115.58 117.02 3i61 h ASN 317 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3i61 h ASN 317 Cb 0.43 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.65 3i61 h ASN 317 CO 0.00 -0.04 0.00 0.59 -1.29 0.00 0.00 177.43 176.69 3i61 n ASN 318 N -5.10 0.71 -0.23 1.15 3.02 -1.26 -3.36 115.26 110.19 3i61 n ASN 318 Ca 0.21 0.63 0.05 0.00 -0.03 0.00 0.00 54.58 55.43 3i61 n ASN 318 Cb 0.63 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3i61 n ASN 318 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3i61 n ILE 319 N -2.24 0.00 -3.35 2.41 -5.35 0.03 -4.94 119.36 105.93 3i61 n ILE 319 Ca 0.03 -0.41 -0.39 0.00 -0.27 0.00 0.00 62.75 61.72 3i61 n ILE 319 Cb 0.31 1.12 -0.08 0.00 -1.74 0.00 0.00 39.64 39.24 3i61 n ILE 319 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3i61 s MET 320 N -1.29 4.06 0.05 6.28 -1.94 -0.85 -4.90 119.30 120.71 3i61 s MET 320 Ca 0.08 0.15 0.15 0.00 -1.71 0.00 0.00 55.69 54.35 3i61 s MET 320 Cb 0.08 -3.63 -0.15 0.00 2.01 0.00 0.00 34.83 33.13 3i61 s MET 320 CO 0.23 -0.24 0.86 -0.91 -0.01 0.00 0.00 175.02 174.95 3i61 h ASN 321 N 7.96 0.00 -3.43 3.03 2.35 -1.88 -3.48 115.58 120.12 3i61 h ASN 321 Ca -0.32 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.92 3i61 h ASN 321 Cb 1.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 3i61 h ASN 321 CO 0.68 0.74 -0.03 -0.54 -1.65 0.00 0.00 177.43 176.63 3i61 s LYS 322 N -2.81 3.71 0.46 0.81 -0.14 -1.26 -4.91 119.74 115.60 3i61 s LYS 322 Ca -0.03 0.23 0.24 0.00 -1.36 0.00 0.00 55.97 55.04 3i61 s LYS 322 Cb 0.08 -2.53 1.12 0.00 -1.68 0.00 0.00 37.83 34.82 3i61 s LYS 322 CO 0.81 0.11 1.94 1.57 -0.76 0.00 0.00 175.35 179.02 3i61 h LYS 323 N 1.55 0.00 -6.38 1.68 2.10 -1.95 -3.44 116.57 110.13 3i61 h LYS 323 Ca -0.47 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.55 3i61 h LYS 323 Cb 1.19 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 32.27 3i61 h LYS 323 CO 0.65 0.21 -0.85 -1.21 -2.00 0.00 0.00 179.45 176.25 3i61 s GLU 324 N -3.98 1.48 -0.12 0.07 2.02 -1.25 -2.06 118.70 114.86 3i61 s GLU 324 Ca -0.02 -1.06 -0.00 0.00 0.02 0.00 0.00 54.97 53.91 3i61 s GLU 324 Cb 0.12 -1.68 0.02 0.00 0.10 0.00 0.00 34.13 32.70 3i61 s GLU 324 CO 0.63 0.42 -0.09 0.00 0.02 0.00 0.00 175.26 176.24 3i61 s LEU 326 N 1.65 4.09 -0.48 0.00 2.96 -0.20 -0.10 118.68 126.60 3i61 s LEU 326 Ca 0.05 0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 3i61 s LEU 326 Cb -0.13 -3.02 0.11 0.00 0.50 0.00 0.00 46.19 43.65 3i61 s LEU 326 CO -0.08 -0.41 0.38 0.12 -1.32 0.00 0.00 176.35 175.03 3i61 s PHE 327 N 2.51 3.32 -0.43 5.38 5.99 -0.30 -0.05 117.98 134.40 3i61 s PHE 327 Ca 0.31 -1.46 -0.17 0.00 0.00 0.00 0.00 56.93 55.60 3i61 s PHE 327 Cb -0.16 -3.41 0.03 0.00 0.00 0.00 0.00 43.02 39.48 3i61 s PHE 327 CO 0.09 -0.94 0.44 -0.51 -0.00 0.00 0.00 175.22 174.30 3i61 s LEU 328 N 1.49 4.95 -0.16 6.12 1.43 0.99 -1.13 118.68 132.38 3i61 s LEU 328 Ca 0.04 -0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 3i61 s LEU 328 Cb -0.26 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 3i61 s LEU 328 CO 0.02 -0.60 -0.08 -0.62 0.23 0.00 0.00 176.35 175.30 3i61 s ASP 329 N 1.94 4.35 0.00 2.29 -1.08 -0.91 -2.40 116.67 120.86 3i61 s ASP 329 Ca 0.11 -0.27 0.18 0.00 -0.52 0.00 0.00 52.55 52.05 3i61 s ASP 329 Cb -0.18 -1.70 0.45 0.00 -1.46 0.00 0.00 42.92 40.03 3i61 s ASP 329 CO 0.13 0.13 1.37 0.35 0.52 0.00 0.00 175.17 177.67 3i61 n THR 330 N 3.77 0.84 -4.73 1.71 -2.24 -0.90 -2.45 114.28 110.27 3i61 n THR 330 Ca -0.18 -0.92 -0.25 0.00 -2.27 0.00 0.00 64.05 60.44 3i61 n THR 330 Cb 0.52 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 69.24 3i61 n THR 330 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i61 s VAL 331 N -1.09 1.27 0.80 2.28 1.01 -1.26 -4.89 120.40 118.53 3i61 s VAL 331 Ca 0.36 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 3i61 s VAL 331 Cb 0.19 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.55 3i61 s VAL 331 CO 0.26 0.37 1.20 -1.81 0.00 0.00 0.00 175.10 175.12 3i61 s ASP 332 N 0.06 3.63 0.17 3.32 1.01 -1.26 -4.57 116.67 119.03 3i61 s ASP 332 Ca -0.03 2.35 -0.13 0.00 0.71 0.00 0.00 52.55 55.44 3i61 s ASP 332 Cb -0.11 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.31 3i61 s ASP 332 CO 0.02 -2.64 1.81 0.07 0.21 0.00 0.00 175.17 174.64 3i61 h LYS 333 N -0.89 0.76 -0.07 8.23 2.10 -2.00 -2.78 116.57 121.92 3i61 h LYS 333 Ca -0.46 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 3i61 h LYS 333 Cb 1.29 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3i61 h LYS 333 CO 0.46 0.55 0.00 0.09 -2.00 0.00 0.00 179.45 178.55 3i61 n ASN 334 N -4.65 2.31 -4.75 7.07 4.13 -1.26 -4.93 115.26 113.18 3i61 n ASN 334 Ca 0.03 -1.77 -0.40 0.00 1.68 0.00 0.00 54.58 54.12 3i61 n ASN 334 Cb 0.05 -0.03 -0.05 0.00 -1.54 0.00 0.00 39.78 38.21 3i61 n ASN 334 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3i61 s GLU 335 N -1.94 4.73 0.48 3.52 2.12 -1.05 -5.01 118.70 121.55 3i61 s GLU 335 Ca 0.33 1.60 -0.23 0.00 0.36 0.00 0.00 54.97 57.04 3i61 s GLU 335 Cb 0.20 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.25 3i61 s GLU 335 CO 0.31 0.31 1.25 -1.25 -0.54 0.00 0.00 175.26 175.34 3i61 s PRO 336 N -0.89 3.56 0.36 4.30 0.04 -1.26 -4.80 135.00 136.31 3i61 s PRO 336 Ca 0.44 1.98 0.19 0.00 0.04 0.00 0.00 61.00 63.65 3i61 s PRO 336 Cb -0.28 -2.39 0.23 0.00 0.04 0.00 0.00 34.50 32.11 3i61 s PRO 336 CO 0.34 -0.77 1.54 0.93 0.04 0.00 0.00 177.00 179.08 3i61 h GLU 337 N 1.90 0.00 -6.88 4.56 5.08 -1.90 -3.45 114.58 113.89 3i61 h GLU 337 Ca -0.50 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.30 3i61 h GLU 337 Cb 1.27 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.64 3i61 h GLU 337 CO 0.59 0.26 0.55 0.00 -1.00 0.00 0.00 179.01 179.42 3i61 n ALA 338 N -2.17 1.52 -2.21 3.43 0.00 -1.26 -4.69 120.51 115.13 3i61 n ALA 338 Ca 0.03 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3i61 n ALA 338 Cb 0.63 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 3i61 n ALA 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i61 s HIS 339 N -1.20 2.65 0.36 0.00 2.46 -1.26 -4.89 115.29 113.41 3i61 s HIS 339 Ca 0.61 0.71 0.34 0.00 0.47 0.00 0.00 55.06 57.19 3i61 s HIS 339 Cb -0.49 -3.69 1.66 0.00 -0.13 0.00 0.00 32.58 29.93 3i61 s HIS 339 CO 0.58 -2.64 2.11 1.05 -2.47 0.00 0.00 174.74 173.37 3i61 h GLU 340 N 8.28 0.00 0.00 2.88 9.09 -1.92 -2.39 114.58 130.52 3i61 h GLU 340 Ca -0.36 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.05 3i61 h GLU 340 Cb 1.16 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3i61 h GLU 340 CO 0.93 0.05 -0.02 -0.09 0.05 0.00 0.00 179.01 179.93 3i61 h ARG 341 N 0.00 0.00 -6.34 1.06 2.43 -1.95 -3.44 114.38 106.14 3i61 h ARG 341 Ca -0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 3i61 h ARG 341 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3i61 h ARG 341 CO 0.01 0.02 0.73 0.42 -1.51 0.00 0.00 179.97 179.64 3i61 s ILE 342 N -3.65 4.08 -0.82 1.20 1.01 -0.90 -4.39 121.20 117.72 3i61 s ILE 342 Ca 0.01 1.43 -0.22 0.00 0.00 0.00 0.00 60.65 61.87 3i61 s ILE 342 Cb 0.09 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.71 3i61 s ILE 342 CO 0.56 0.00 1.17 -0.62 0.00 0.00 0.00 174.94 176.05 3i61 s ASP 343 N 1.57 6.36 0.14 3.58 2.15 -0.44 -4.92 116.67 125.11 3i61 s ASP 343 Ca 0.58 -1.27 -0.19 0.00 0.43 0.00 0.00 52.55 52.11 3i61 s ASP 343 Cb -0.27 -2.47 -0.07 0.00 -0.30 0.00 0.00 42.92 39.81 3i61 s ASP 343 CO 0.24 -1.43 0.62 -1.10 -0.17 0.00 0.00 175.17 173.33 3i61 s GLN 344 N 4.19 4.18 0.12 4.34 -0.21 -1.26 -1.65 119.66 129.37 3i61 s GLN 344 Ca 0.32 0.74 -0.07 0.00 0.02 0.00 0.00 55.36 56.37 3i61 s GLN 344 Cb -0.09 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 3i61 s GLN 344 CO 0.02 0.52 0.19 -1.54 -2.12 0.00 0.00 175.29 172.35 3i61 s SER 345 N -1.43 0.15 -0.03 5.90 1.04 -0.13 -4.05 113.70 115.15 3i61 s SER 345 Ca 0.36 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.99 3i61 s SER 345 Cb -0.18 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 3i61 s SER 345 CO 0.20 -0.78 -0.14 0.54 0.98 0.00 0.00 173.24 174.04 3i61 s VAL 346 N -3.93 1.18 -0.22 5.02 0.11 0.06 -0.96 120.40 121.66 3i61 s VAL 346 Ca 0.12 -0.60 -0.00 0.00 -2.93 0.00 0.00 61.98 58.57 3i61 s VAL 346 Cb 0.05 -1.01 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 3i61 s VAL 346 CO -0.05 0.34 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.26 3i61 s VAL 347 N -0.03 2.59 -0.24 2.04 1.01 0.91 -1.83 120.40 124.85 3i61 s VAL 347 Ca -0.01 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 3i61 s VAL 347 Cb -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3i61 s VAL 347 CO 0.01 0.31 0.05 -0.63 0.00 0.00 0.00 175.10 174.85 3i61 s ILE 348 N 1.31 4.18 0.39 2.22 1.01 0.02 -1.63 121.20 128.70 3i61 s ILE 348 Ca 0.01 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.52 3i61 s ILE 348 Cb -0.16 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 3i61 s ILE 348 CO -0.07 0.35 0.36 -0.44 0.00 0.00 0.00 174.94 175.14 3i61 s SER 349 N 1.58 5.19 0.21 3.58 0.01 0.10 -1.45 113.70 122.92 3i61 s SER 349 Ca 0.06 -0.63 0.11 0.00 1.31 0.00 0.00 55.95 56.80 3i61 s SER 349 Cb -0.15 -0.73 0.05 0.00 0.21 0.00 0.00 66.02 65.40 3i61 s SER 349 CO 0.03 -0.55 1.43 1.05 0.41 0.00 0.00 173.24 175.60 3i61 h GLU 350 N 1.08 0.00 -5.55 12.44 9.09 -1.89 0.37 114.58 130.12 3i61 h GLU 350 Ca -0.43 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.50 3i61 h GLU 350 Cb 1.26 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 28.11 3i61 h GLU 350 CO 0.57 0.75 -0.81 0.15 0.05 0.00 0.00 179.01 179.72 3i61 s LYS 351 N -3.02 1.07 0.18 1.06 1.02 -1.26 -4.41 119.74 114.37 3i61 s LYS 351 Ca 0.01 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.05 3i61 s LYS 351 Cb 0.10 -1.11 0.16 0.00 -0.52 0.00 0.00 37.83 36.46 3i61 s LYS 351 CO 0.78 0.28 1.69 0.35 -0.92 0.00 0.00 175.35 177.53 3i61 h PHE 352 N 4.91 0.01 -0.78 3.18 3.57 -1.89 -1.66 116.94 124.28 3i61 h PHE 352 Ca -0.39 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.27 3i61 h PHE 352 Cb 1.17 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 3i61 h PHE 352 CO 0.52 -0.08 0.51 0.00 -2.23 0.00 0.00 178.31 177.04 3i61 h ALA 353 N 1.40 1.96 0.00 2.41 0.00 -1.95 -1.47 119.26 121.62 3i61 h ALA 353 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3i61 h ALA 353 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i61 h ALA 353 CO -0.37 -0.16 -0.03 -0.91 0.00 0.00 0.00 179.25 177.79 3i61 h ASN 354 N 0.55 0.00 0.07 0.00 2.35 -1.72 -1.18 115.58 115.65 3i61 h ASN 354 Ca 0.38 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.10 3i61 h ASN 354 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3i61 h ASN 354 CO -0.14 0.03 -0.11 0.28 -1.65 0.00 0.00 177.43 175.84 3i61 h SER 355 N 0.00 0.08 -0.15 5.81 0.02 -1.31 -0.96 113.55 117.04 3i61 h SER 355 Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3i61 h SER 355 Cb 0.15 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3i61 h SER 355 CO 0.00 0.20 0.07 0.40 -1.14 0.00 0.00 176.83 176.37 3i61 h ILE 356 N 0.09 1.13 -0.44 3.27 2.04 -1.36 -1.55 117.51 120.68 3i61 h ILE 356 Ca 0.02 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3i61 h ILE 356 Cb 0.25 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3i61 h ILE 356 CO 0.02 0.12 -0.00 -0.26 0.00 0.00 0.00 178.15 178.02 3i61 h PHE 357 N 0.12 0.86 -0.59 1.37 0.04 -1.54 -1.92 116.94 115.28 3i61 h PHE 357 Ca 0.05 -0.15 0.06 0.00 2.80 0.00 0.00 57.97 60.73 3i61 h PHE 357 Cb 0.12 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 3i61 h PHE 357 CO -0.03 0.84 0.31 0.00 -0.60 0.00 0.00 178.31 178.83 3i61 h ALA 358 N 0.91 0.78 -0.51 2.45 0.00 -1.16 -1.27 119.26 120.45 3i61 h ALA 358 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3i61 h ALA 358 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i61 h ALA 358 CO 0.02 -0.03 0.18 0.00 0.00 0.00 0.00 179.25 179.43 3i61 h ALA 359 N 1.32 0.67 -0.56 0.00 0.00 -1.12 -0.88 119.26 118.69 3i61 h ALA 359 Ca 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3i61 h ALA 359 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3i61 h ALA 359 CO -0.18 0.31 0.37 0.28 0.00 0.00 0.00 179.25 180.03 3i61 h VAL 360 N 0.69 1.14 -0.53 0.00 2.07 -1.02 -0.74 116.25 117.86 3i61 h VAL 360 Ca 0.17 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 3i61 h VAL 360 Cb 0.24 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3i61 h VAL 360 CO -0.01 0.14 -0.13 -0.33 0.02 0.00 0.00 177.57 177.26 3i61 h GLU 361 N 0.76 1.01 -0.10 1.57 5.08 -1.08 -1.18 114.58 120.64 3i61 h GLU 361 Ca 0.21 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3i61 h GLU 361 Cb -0.08 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3i61 h GLU 361 CO -0.05 1.06 0.06 1.25 -1.00 0.00 0.00 179.01 180.34 3i61 h HIS 362 N 0.89 0.12 -0.89 4.33 2.76 -0.95 -1.52 115.15 119.90 3i61 h HIS 362 Ca 0.13 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3i61 h HIS 362 Cb 0.69 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.57 3i61 h HIS 362 CO 0.05 0.08 0.47 0.82 -1.30 0.00 0.00 177.93 178.05 3i61 h ILE 363 N 0.13 1.26 -0.34 6.26 2.04 -1.03 -1.01 117.51 124.83 3i61 h ILE 363 Ca 0.04 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3i61 h ILE 363 Cb -0.01 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 3i61 h ILE 363 CO -0.01 0.30 0.18 0.50 0.00 0.00 0.00 178.15 179.12 3i61 h LYS 364 N 1.26 0.35 -0.25 2.37 3.64 -1.01 -0.49 116.57 122.43 3i61 h LYS 364 Ca 0.31 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3i61 h LYS 364 Cb 0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3i61 h LYS 364 CO -0.05 0.23 0.15 -0.22 -2.27 0.00 0.00 179.45 177.30 3i61 h LYS 365 N 0.36 0.35 -0.84 1.90 3.64 -0.87 -2.04 116.57 119.08 3i61 h LYS 365 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3i61 h LYS 365 Cb 0.04 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3i61 h LYS 365 CO -0.09 0.28 0.45 1.96 -2.27 0.00 0.00 179.45 179.78 3i61 h GLN 366 N 0.32 1.18 -0.76 1.90 1.08 -0.91 0.45 115.11 118.36 3i61 h GLN 366 Ca 0.09 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 3i61 h GLN 366 Cb 0.03 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.20 3i61 h GLN 366 CO -0.02 0.88 0.25 0.82 -0.95 0.00 0.00 178.83 179.81 3i61 h ILE 367 N 1.17 1.26 0.18 2.54 2.04 -0.92 -0.57 117.51 123.21 3i61 h ILE 367 Ca 0.29 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3i61 h ILE 367 Cb 0.05 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3i61 h ILE 367 CO -0.04 0.36 -0.08 0.50 0.00 0.00 0.00 178.15 178.88 3i61 h LYS 368 N 1.13 -0.23 -0.09 2.37 3.64 -1.03 0.16 116.57 122.53 3i61 h LYS 368 Ca 0.25 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3i61 h LYS 368 Cb 0.29 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3i61 h LYS 368 CO -0.01 0.12 -0.43 0.93 -2.27 0.00 0.00 179.45 177.79 3i61 h GLU 369 N -0.61 0.19 -0.42 1.90 5.08 -0.85 -2.75 114.58 117.12 3i61 h GLU 369 Ca -0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i61 h GLU 369 Cb 0.45 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3i61 h GLU 369 CO 0.04 0.59 0.00 0.54 -1.00 0.00 0.00 179.01 179.18 3i61 n ARG 370 N -4.01 2.28 -3.71 2.33 1.74 -0.23 -4.95 116.66 110.11 3i61 n ARG 370 Ca -0.02 -1.96 -0.22 0.00 -0.77 0.00 0.00 57.85 54.89 3i61 n ARG 370 Cb 0.48 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.49 3i61 n ARG 370 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i61 n ASP 371 N 1.13 -1.26 0.00 0.55 2.03 -1.03 -1.30 116.55 116.66 3i61 n ASP 371 Ca 0.19 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.68 3i61 n ASP 371 Cb 0.50 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 3i61 n ASP 371 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3i61 n SER 372 N -3.05 -2.39 -3.96 1.67 7.64 0.53 -4.89 113.62 109.17 3i61 n SER 372 Ca -0.29 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.16 3i61 n SER 372 Cb 0.67 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.34 3i61 n SER 372 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3i61 n ASN 373 N -0.37 4.45 -3.65 6.43 3.02 -0.42 -4.86 115.26 119.86 3i61 n ASN 373 Ca 0.00 -2.93 -0.21 0.00 -0.03 0.00 0.00 54.58 51.41 3i61 n ASN 373 Cb 0.18 -1.62 -0.17 0.00 -0.61 0.00 0.00 39.78 37.56 3i61 n ASN 373 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i61 s TYR 374 N 2.57 0.07 -0.20 3.10 5.04 -1.26 -4.89 117.35 121.79 3i61 s TYR 374 Ca 0.46 0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 55.21 3i61 s TYR 374 Cb 0.10 -0.52 0.02 0.00 0.35 0.00 0.00 41.96 41.91 3i61 s TYR 374 CO -0.03 -0.30 -0.15 0.21 -1.34 0.00 0.00 175.55 173.94 3i61 s LYS 375 N 2.17 2.98 0.05 4.97 2.20 -1.26 -0.99 119.74 129.86 3i61 s LYS 375 Ca 0.04 -0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 54.80 3i61 s LYS 375 Cb -0.13 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 3i61 s LYS 375 CO -0.05 -0.26 -0.04 0.00 -0.36 0.00 0.00 175.35 174.64 3i61 s ALA 376 N 1.31 0.47 -0.09 3.13 0.00 -0.28 -0.65 121.76 125.66 3i61 s ALA 376 Ca 0.04 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.02 3i61 s ALA 376 Cb -0.14 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.18 3i61 s ALA 376 CO -0.10 -0.26 -0.20 0.42 0.00 0.00 0.00 175.76 175.63 3i61 s ILE 377 N -2.92 1.75 -0.18 0.00 1.01 -0.50 -1.17 121.20 119.20 3i61 s ILE 377 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3i61 s ILE 377 Cb 0.01 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3i61 s ILE 377 CO -0.06 0.49 -0.19 -0.51 0.00 0.00 0.00 174.94 174.68 3i61 s ILE 378 N 0.40 1.98 0.10 2.92 2.07 0.39 0.47 121.20 129.52 3i61 s ILE 378 Ca -0.16 -0.90 -0.10 0.00 -1.41 0.00 0.00 60.65 58.08 3i61 s ILE 378 Cb -0.17 -1.80 -0.06 0.00 0.13 0.00 0.00 42.46 40.56 3i61 s ILE 378 CO 0.07 0.52 0.42 -0.36 -1.91 0.00 0.00 174.94 173.67 3i61 s PHE 379 N 1.32 3.56 0.09 3.50 0.08 0.49 -1.61 117.98 125.41 3i61 s PHE 379 Ca 0.05 0.79 0.00 0.00 0.12 0.00 0.00 56.93 57.89 3i61 s PHE 379 Cb -0.13 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3i61 s PHE 379 CO -0.13 0.49 -0.03 0.00 -0.10 0.00 0.00 175.22 175.45 3i61 s ALA 380 N -1.45 0.79 0.20 5.36 0.00 -0.32 -1.15 121.76 125.19 3i61 s ALA 380 Ca 0.35 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3i61 s ALA 380 Cb -0.14 0.32 0.12 0.00 0.00 0.00 0.00 23.12 23.43 3i61 s ALA 380 CO 0.19 -0.33 1.47 -1.35 0.00 0.00 0.00 175.76 175.74 3i61 h PRO 381 N 3.01 0.27 -4.77 0.00 0.11 -1.83 -3.40 132.00 125.40 3i61 h PRO 381 Ca -0.35 -0.22 -0.26 0.00 0.11 0.00 0.00 66.00 65.28 3i61 h PRO 381 Cb 1.16 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 3i61 h PRO 381 CO 0.64 0.88 -0.71 0.95 -0.21 0.00 0.00 178.00 179.55 3i61 s THR 382 N -3.57 0.82 0.11 -1.15 -4.23 -1.26 -4.89 115.64 101.48 3i61 s THR 382 Ca -0.04 -1.90 -0.21 0.00 -1.18 0.00 0.00 61.69 58.36 3i61 s THR 382 Cb 0.11 -1.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.22 3i61 s THR 382 CO 0.82 -0.79 1.73 0.58 -0.54 0.00 0.00 174.62 176.42 3i61 h VAL 383 N 3.05 0.93 -0.83 2.29 2.07 -1.98 0.95 116.25 122.73 3i61 h VAL 383 Ca -0.36 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3i61 h VAL 383 Cb 1.17 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3i61 h VAL 383 CO 0.62 0.01 0.39 0.11 0.02 0.00 0.00 177.57 178.72 3i61 h LYS 384 N 0.06 1.19 -0.21 1.57 1.57 -1.96 -1.05 116.57 117.74 3i61 h LYS 384 Ca 0.05 -0.18 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 3i61 h LYS 384 Cb 0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3i61 h LYS 384 CO -0.08 0.92 -0.58 0.35 -0.57 0.00 0.00 179.45 179.49 3i61 h PHE 385 N 1.18 0.85 -0.45 -1.35 3.57 -1.79 -1.78 116.94 117.16 3i61 h PHE 385 Ca 0.28 -0.31 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3i61 h PHE 385 Cb 0.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3i61 h PHE 385 CO 0.01 1.09 0.25 1.15 -2.23 0.00 0.00 178.31 178.58 3i61 h THR 386 N 0.51 1.01 -0.52 4.41 2.02 -0.47 0.26 112.91 120.14 3i61 h THR 386 Ca 0.00 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3i61 h THR 386 Cb 1.15 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3i61 h THR 386 CO 0.12 0.09 0.33 -1.28 0.37 0.00 0.00 175.52 175.15 3i61 h SER 387 N 0.50 0.56 -0.14 4.18 0.87 -1.09 -0.29 113.55 118.13 3i61 h SER 387 Ca 0.19 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3i61 h SER 387 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3i61 h SER 387 CO -0.11 0.40 0.08 0.15 -0.53 0.00 0.00 176.83 176.83 3i61 h PHE 388 N 0.67 0.15 -0.90 2.24 3.57 -0.90 -2.35 116.94 119.43 3i61 h PHE 388 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3i61 h PHE 388 Cb -0.05 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 3i61 h PHE 388 CO -0.05 0.09 0.54 1.25 -2.23 0.00 0.00 178.31 177.92 3i61 h LEU 389 N 0.17 1.09 -0.61 0.59 5.85 -0.23 -2.04 115.31 120.13 3i61 h LEU 389 Ca 0.06 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3i61 h LEU 389 Cb -0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3i61 h LEU 389 CO -0.03 0.84 0.39 0.00 -0.34 0.00 0.00 178.44 179.29 3i61 h SER 391 N 0.78 0.31 -0.48 0.00 0.02 -0.84 0.15 113.55 113.49 3i61 h SER 391 Ca 0.23 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3i61 h SER 391 Cb -0.04 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3i61 h SER 391 CO -0.08 0.23 0.27 0.40 -1.14 0.00 0.00 176.83 176.51 3i61 h ILE 392 N 0.43 1.16 -0.11 3.27 2.04 -1.09 -2.36 117.51 120.85 3i61 h ILE 392 Ca 0.18 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 3i61 h ILE 392 Cb 0.09 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3i61 h ILE 392 CO -0.13 0.17 -0.42 -0.07 0.00 0.00 0.00 178.15 177.70 3i61 h LEU 393 N 0.63 0.26 -0.32 1.44 3.38 -0.57 -1.59 115.31 118.55 3i61 h LEU 393 Ca 0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3i61 h LEU 393 Cb 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3i61 h LEU 393 CO -0.03 0.66 0.09 0.11 0.09 0.00 0.00 178.44 179.36 3i61 h LYS 394 N 0.21 0.50 -0.81 1.13 1.57 -0.84 0.19 116.57 118.52 3i61 h LYS 394 Ca 0.02 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3i61 h LYS 394 Cb 0.83 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 3i61 h LYS 394 CO 0.07 0.55 0.54 -0.91 -0.57 0.00 0.00 179.45 179.12 3i61 h ASN 395 N 0.36 0.92 -0.10 0.86 2.35 -1.12 -0.95 115.58 117.91 3i61 h ASN 395 Ca 0.10 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.65 3i61 h ASN 395 Cb 0.27 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.42 3i61 h ASN 395 CO -0.00 0.67 -0.64 -0.33 -1.65 0.00 0.00 177.43 175.47 3i61 h GLU 396 N 1.09 0.62 0.00 0.81 4.39 -1.22 -3.43 114.58 116.83 3i61 h GLU 396 Ca 0.30 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3i61 h GLU 396 Cb -0.11 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3i61 h GLU 396 CO -0.07 1.14 0.00 1.19 -1.16 0.00 0.00 179.01 180.11 3i61 n PHE 397 N -4.11 0.00 0.23 4.33 3.72 0.67 -4.76 117.46 117.54 3i61 n PHE 397 Ca -0.08 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.39 3i61 n PHE 397 Cb 0.68 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.83 3i61 n PHE 397 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3i61 h LYS 398 N 0.00 0.07 0.00 -1.08 3.64 -1.25 0.13 116.57 118.08 3i61 h LYS 398 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3i61 h LYS 398 Cb 0.16 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3i61 h LYS 398 CO 0.00 0.04 -0.10 1.57 -2.27 0.00 0.00 179.45 178.69 3i61 h LYS 399 N 0.07 0.00 0.00 1.90 2.10 -1.86 -3.30 116.57 115.48 3i61 h LYS 399 Ca 0.02 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.30 3i61 h LYS 399 Cb -0.01 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 3i61 h LYS 399 CO -0.00 0.10 -2.39 -0.25 -2.00 0.00 0.00 179.45 174.91 3i61 n ASP 400 N -3.46 1.05 -3.62 7.07 8.00 0.29 -5.05 116.55 120.83 3i61 n ASP 400 Ca -0.01 -0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 3i61 n ASP 400 Cb 0.25 0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 41.62 3i61 n ASP 400 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i61 s LEU 401 N -5.94 0.26 0.34 0.64 1.43 -0.17 -4.99 118.68 110.25 3i61 s LEU 401 Ca -0.21 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.54 3i61 s LEU 401 Cb 0.07 1.89 -0.09 0.00 0.03 0.00 0.00 46.19 48.09 3i61 s LEU 401 CO 0.70 -0.75 1.19 -2.16 0.23 0.00 0.00 176.35 175.55 3i61 s PRO 402 N -2.97 4.36 -0.19 1.29 0.04 -1.26 -4.01 135.00 132.26 3i61 s PRO 402 Ca -0.02 1.95 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 3i61 s PRO 402 Cb 0.00 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.57 3i61 s PRO 402 CO -0.06 -0.09 -0.15 0.42 0.04 0.00 0.00 177.00 177.16 3i61 s ILE 403 N -1.24 2.51 -0.12 0.56 -1.09 -1.26 -1.29 121.20 119.26 3i61 s ILE 403 Ca 0.50 -0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 58.12 3i61 s ILE 403 Cb -0.34 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.44 3i61 s ILE 403 CO 0.44 0.50 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.81 3i61 s LEU 404 N 1.25 2.99 -0.25 2.97 1.43 0.19 -4.99 118.68 122.26 3i61 s LEU 404 Ca 0.03 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 3i61 s LEU 404 Cb -0.14 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3i61 s LEU 404 CO -0.08 0.22 0.09 -0.70 0.23 0.00 0.00 176.35 176.11 3i61 s GLU 405 N 0.05 3.72 -0.25 1.70 2.12 -1.26 -0.57 118.70 124.20 3i61 s GLU 405 Ca -0.03 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 3i61 s GLU 405 Cb -0.14 -3.38 0.08 0.00 0.26 0.00 0.00 34.13 30.95 3i61 s GLU 405 CO 0.04 -0.17 0.07 0.12 -0.54 0.00 0.00 175.26 174.78 3i61 s PHE 406 N 1.59 1.07 0.37 5.30 5.36 -0.35 -4.98 117.98 126.35 3i61 s PHE 406 Ca 0.06 -1.11 -0.11 0.00 -0.96 0.00 0.00 56.93 54.82 3i61 s PHE 406 Cb -0.15 -1.20 0.04 0.00 -0.34 0.00 0.00 43.02 41.37 3i61 s PHE 406 CO 0.05 -0.73 0.68 -2.39 -1.46 0.00 0.00 175.22 171.37 3i61 n HIS 407 N 5.03 -2.07 0.74 10.12 1.44 -1.26 -3.01 115.22 126.20 3i61 n HIS 407 Ca -0.06 -1.90 0.09 0.00 -2.01 0.00 0.00 57.72 53.84 3i61 n HIS 407 Cb 0.45 0.79 0.43 0.00 0.12 0.00 0.00 29.99 31.78 3i61 n HIS 407 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i61 n GLY 408 N -0.52 -1.09 1.02 -1.39 0.00 -1.26 -2.30 105.19 99.65 3i61 n GLY 408 Ca -0.06 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3i61 n GLY 408 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i61 n LYS 409 N -1.43 2.38 -2.70 1.61 4.76 -1.26 -4.90 118.16 116.61 3i61 n LYS 409 Ca 0.06 -2.04 -0.41 0.00 -2.87 0.00 0.00 58.31 53.06 3i61 n LYS 409 Cb 0.20 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.86 3i61 n LYS 409 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i61 s ILE 410 N -1.79 4.29 0.63 -0.18 -1.09 -0.97 -5.01 121.20 117.08 3i61 s ILE 410 Ca 0.33 2.01 -0.18 0.00 -2.23 0.00 0.00 60.65 60.58 3i61 s ILE 410 Cb 0.21 -4.28 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 3i61 s ILE 410 CO 0.31 0.36 1.08 0.35 -1.23 0.00 0.00 174.94 175.81 3i61 n THR 411 N 2.36 4.14 -0.05 2.92 -2.24 -1.26 -4.68 114.28 115.48 3i61 n THR 411 Ca 0.01 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.28 3i61 n THR 411 Cb 0.48 -1.26 0.23 0.00 -2.10 0.00 0.00 70.33 67.68 3i61 n THR 411 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3i61 h GLN 412 N 0.40 0.63 -0.78 -0.78 5.75 -1.95 0.77 115.11 119.15 3i61 h GLN 412 Ca -0.49 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 57.88 3i61 h GLN 412 Cb 1.35 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.78 3i61 h GLN 412 CO 0.51 0.67 0.49 -0.91 -2.65 0.00 0.00 178.83 176.95 3i61 h ASN 413 N 0.60 0.80 0.13 -0.69 2.35 -1.90 -1.13 115.58 115.74 3i61 h ASN 413 Ca 0.12 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.67 3i61 h ASN 413 Cb 0.42 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3i61 h ASN 413 CO 0.02 0.55 -0.75 0.11 -1.65 0.00 0.00 177.43 175.70 3i61 h LYS 414 N 0.95 0.53 -0.41 0.81 1.79 -1.68 -2.13 116.57 116.43 3i61 h LYS 414 Ca 0.32 -0.44 0.04 0.00 -2.18 0.00 0.00 60.65 58.39 3i61 h LYS 414 Cb 0.05 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 3i61 h LYS 414 CO -0.13 1.07 0.17 0.00 -1.08 0.00 0.00 179.45 179.49 3i61 h ARG 415 N 0.36 0.35 -0.47 3.15 3.08 -0.58 -1.07 114.38 119.20 3i61 h ARG 415 Ca -0.04 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3i61 h ARG 415 Cb 1.35 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3i61 h ARG 415 CO 0.14 0.23 -0.08 1.15 -1.07 0.00 0.00 179.97 180.34 3i61 h THR 416 N 0.36 1.27 -0.34 2.04 2.02 -1.13 -1.67 112.91 115.45 3i61 h THR 416 Ca 0.18 -1.18 -0.13 0.00 0.77 0.00 0.00 66.41 66.05 3i61 h THR 416 Cb 0.13 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3i61 h THR 416 CO -0.16 0.41 -0.31 0.77 0.37 0.00 0.00 175.52 176.60 3i61 h SER 417 N 0.72 0.77 0.28 4.18 4.64 -1.22 -1.77 113.55 121.15 3i61 h SER 417 Ca 0.12 -0.31 -0.14 0.00 -0.47 0.00 0.00 61.79 60.99 3i61 h SER 417 Cb 0.61 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3i61 h SER 417 CO 0.04 1.02 -0.56 0.17 -0.87 0.00 0.00 176.83 176.63 3i61 h LEU 418 N 0.63 0.32 -0.24 5.97 8.10 -1.11 -1.03 115.31 127.96 3i61 h LEU 418 Ca 0.07 -0.17 -0.01 0.00 0.11 0.00 0.00 57.88 57.88 3i61 h LEU 418 Cb 0.83 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.95 3i61 h LEU 418 CO 0.07 0.81 0.10 0.58 -4.11 0.00 0.00 178.44 175.90 3i61 h VAL 419 N 0.22 1.16 -0.64 0.15 2.07 -1.15 0.08 116.25 118.15 3i61 h VAL 419 Ca 0.00 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3i61 h VAL 419 Cb 1.05 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3i61 h VAL 419 CO 0.09 0.16 0.34 0.50 0.02 0.00 0.00 177.57 178.68 3i61 h LYS 420 N 0.24 0.62 -0.13 1.57 3.64 -1.15 -1.35 116.57 120.02 3i61 h LYS 420 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3i61 h LYS 420 Cb 0.16 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3i61 h LYS 420 CO -0.01 0.41 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.47 3i61 h ARG 421 N 0.63 0.24 0.00 1.90 2.43 -1.00 -3.09 114.38 115.48 3i61 h ARG 421 Ca 0.29 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3i61 h ARG 421 Cb 0.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3i61 h ARG 421 CO -0.19 0.50 -0.34 0.35 -1.51 0.00 0.00 179.97 178.79 3i61 h PHE 422 N -0.05 0.00 -0.69 2.20 3.57 -0.84 0.43 116.94 121.57 3i61 h PHE 422 Ca 0.03 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3i61 h PHE 422 Cb 0.41 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 3i61 h PHE 422 CO 0.04 0.34 0.45 0.87 -2.23 0.00 0.00 178.31 177.78 3i61 h LYS 423 N 0.00 0.90 0.00 1.11 1.57 -1.25 -3.26 116.57 115.64 3i61 h LYS 423 Ca -0.00 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 3i61 h LYS 423 Cb 0.64 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3i61 h LYS 423 CO 0.04 0.60 -1.29 0.87 -0.57 0.00 0.00 179.45 179.11 3i61 h LYS 424 N 0.93 0.00 -6.97 3.15 6.56 -1.31 -3.37 116.57 115.56 3i61 h LYS 424 Ca 0.25 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.31 3i61 h LYS 424 Cb -0.11 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 31.65 3i61 h LYS 424 CO -0.05 0.48 0.61 -0.51 -2.06 0.00 0.00 179.45 177.92 3i61 s ASP 425 N -6.10 6.12 0.35 0.86 1.11 0.08 -4.93 116.67 114.16 3i61 s ASP 425 Ca -0.02 2.67 0.19 0.00 0.18 0.00 0.00 52.55 55.57 3i61 s ASP 425 Cb 0.08 -2.64 0.19 0.00 1.07 0.00 0.00 42.92 41.62 3i61 s ASP 425 CO 0.81 -0.98 1.51 1.05 1.18 0.00 0.00 175.17 178.74 3i61 h GLU 426 N 2.44 0.00 -3.49 8.23 9.09 -1.91 -3.48 114.58 125.46 3i61 h GLU 426 Ca -0.50 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 58.87 3i61 h GLU 426 Cb 1.25 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.25 3i61 h GLU 426 CO 0.62 0.27 -0.08 -1.54 0.05 0.00 0.00 179.01 178.33 3i61 s SER 427 N -6.34 -0.16 0.00 3.06 1.04 -1.26 -4.32 113.70 105.72 3i61 s SER 427 Ca 0.05 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3i61 s SER 427 Cb 0.06 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3i61 s SER 427 CO 0.71 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3i61 n GLY 428 N -0.31 3.28 3.07 7.32 0.00 -0.17 -4.80 105.19 113.59 3i61 n GLY 428 Ca -0.08 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 3i61 n GLY 428 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i61 s ILE 429 N -2.08 1.81 -0.29 -0.61 1.01 -0.41 -1.13 121.20 119.50 3i61 s ILE 429 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3i61 s ILE 429 Cb 0.00 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3i61 s ILE 429 CO 0.00 0.49 0.49 -0.22 0.00 0.00 0.00 174.94 175.71 3i61 s LEU 430 N 1.39 4.15 -0.30 2.97 2.96 -0.32 -0.64 118.68 128.89 3i61 s LEU 430 Ca 0.05 0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 3i61 s LEU 430 Cb -0.13 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 3i61 s LEU 430 CO -0.12 -0.34 0.14 -0.69 -1.32 0.00 0.00 176.35 174.02 3i61 s VAL 431 N 2.31 4.58 0.14 1.68 1.01 0.26 -0.46 120.40 129.91 3i61 s VAL 431 Ca 0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3i61 s VAL 431 Cb -0.16 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 3i61 s VAL 431 CO 0.11 0.12 0.27 0.00 0.00 0.00 0.00 175.10 175.60 3i61 n THR 433 N -0.17 0.00 0.64 0.00 -2.24 -1.16 -1.18 114.28 110.17 3i61 n THR 433 Ca -0.11 -0.55 0.05 0.00 -2.27 0.00 0.00 64.05 61.18 3i61 n THR 433 Cb 0.63 -1.50 0.31 0.00 -2.10 0.00 0.00 70.33 67.67 3i61 n THR 433 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i61 n ASP 434 N -3.18 0.00 -0.29 3.42 8.00 -1.26 -2.12 116.55 121.11 3i61 n ASP 434 Ca 0.07 -0.26 0.22 0.00 0.71 0.00 0.00 54.79 55.53 3i61 n ASP 434 Cb 0.25 -0.04 0.52 0.00 -0.02 0.00 0.00 41.12 41.83 3i61 n ASP 434 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3i61 h VAL 435 N 0.00 0.57 -0.65 2.53 3.04 -1.93 -1.77 116.25 118.05 3i61 h VAL 435 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 3i61 h VAL 435 Cb 0.01 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.46 3i61 h VAL 435 CO 0.00 0.07 0.00 0.61 -1.01 0.00 0.00 177.57 177.24 3i61 n GLY 436 N -1.51 2.44 0.13 3.17 0.00 -0.90 -4.56 105.19 103.97 3i61 n GLY 436 Ca 0.23 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 3i61 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i61 h ALA 437 N 4.17 0.23 -3.60 4.61 0.00 -1.49 -3.43 119.26 119.74 3i61 h ALA 437 Ca 0.00 -0.79 -0.67 0.00 0.00 0.00 0.00 54.91 53.45 3i61 h ALA 437 Cb 1.20 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 3i61 h ALA 437 CO 0.13 0.87 -0.71 1.03 0.00 0.00 0.00 179.25 180.58 3i61 s ARG 438 N -2.98 2.96 0.00 0.00 0.52 -1.26 -3.46 118.95 114.73 3i61 s ARG 438 Ca -0.05 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 3i61 s ARG 438 Cb 0.08 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3i61 s ARG 438 CO 0.88 0.53 0.00 0.41 0.02 0.00 0.00 175.30 177.14 3i61 n GLY 439 N 2.61 1.25 3.72 -3.53 0.00 -1.26 -4.89 105.19 103.08 3i61 n GLY 439 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3i61 n GLY 439 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i61 n MET 440 N 0.00 2.74 -3.78 1.61 2.81 -1.26 -4.93 117.12 114.31 3i61 n MET 440 Ca 0.00 0.99 -0.35 0.00 -1.81 0.00 0.00 57.70 56.53 3i61 n MET 440 Cb 0.00 -2.83 -0.11 0.00 -0.71 0.00 0.00 33.22 29.57 3i61 n MET 440 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3i61 s ASP 441 N 1.14 5.11 -0.39 7.83 2.15 -1.26 -4.85 116.67 126.40 3i61 s ASP 441 Ca 0.75 -2.58 -0.10 0.00 0.43 0.00 0.00 52.55 51.04 3i61 s ASP 441 Cb -0.52 -1.81 0.04 0.00 -0.30 0.00 0.00 42.92 40.34 3i61 s ASP 441 CO 0.33 -0.41 0.22 -0.36 -0.17 0.00 0.00 175.17 174.78 3i61 s PHE 442 N 0.33 3.27 0.41 -5.34 0.08 -1.26 -4.90 117.98 110.57 3i61 s PHE 442 Ca 0.14 -1.14 -0.26 0.00 0.12 0.00 0.00 56.93 55.79 3i61 s PHE 442 Cb -0.22 -2.59 -0.09 0.00 -0.57 0.00 0.00 43.02 39.55 3i61 s PHE 442 CO -0.03 -0.71 1.38 -2.14 -0.10 0.00 0.00 175.22 173.62 3i61 s PRO 443 N 1.51 3.91 -1.35 0.24 0.02 -1.26 -3.69 135.00 134.39 3i61 s PRO 443 Ca 0.02 2.34 -0.06 0.00 0.02 0.00 0.00 61.00 63.31 3i61 s PRO 443 Cb -0.20 -2.78 0.01 0.00 0.02 0.00 0.00 34.50 31.54 3i61 s PRO 443 CO 0.05 -0.61 0.83 0.09 -0.33 0.00 0.00 177.00 177.04 3i61 n ASN 444 N 0.11 -5.93 -4.69 2.53 3.02 -1.26 -4.97 115.26 104.07 3i61 n ASN 444 Ca 0.03 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 3i61 n ASN 444 Cb 0.42 -4.66 -0.03 0.00 -0.61 0.00 0.00 39.78 34.91 3i61 n ASN 444 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i61 s VAL 445 N -3.21 3.65 0.02 2.41 1.01 -1.24 -4.75 120.40 118.28 3i61 s VAL 445 Ca 0.41 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 63.28 3i61 s VAL 445 Cb -0.18 -3.69 -0.26 0.00 0.00 0.00 0.00 36.38 32.25 3i61 s VAL 445 CO 0.51 0.02 1.08 0.45 0.00 0.00 0.00 175.10 177.15 3i61 h HIS 446 N 7.64 0.76 -3.77 5.22 -0.00 -1.22 -3.39 115.15 120.39 3i61 h HIS 446 Ca -0.39 -0.45 -0.21 0.00 -0.00 0.00 0.00 60.37 59.32 3i61 h HIS 446 Cb 1.19 -0.07 -0.26 0.00 -0.00 0.00 0.00 27.41 28.26 3i61 h HIS 446 CO 0.73 1.29 -0.71 -1.21 -0.00 0.00 0.00 177.93 178.04 3i61 s GLU 447 N -3.04 0.08 -0.18 2.45 2.02 -1.15 -1.86 118.70 117.02 3i61 s GLU 447 Ca -0.12 -0.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 3i61 s GLU 447 Cb 0.04 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.28 3i61 s GLU 447 CO 0.87 -0.01 -0.04 0.08 0.02 0.00 0.00 175.26 176.17 3i61 s VAL 448 N -0.33 3.60 0.08 2.63 1.01 -0.62 -1.41 120.40 125.35 3i61 s VAL 448 Ca -0.04 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3i61 s VAL 448 Cb -0.02 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3i61 s VAL 448 CO -0.00 0.46 -0.10 -0.76 0.00 0.00 0.00 175.10 174.69 3i61 s LEU 449 N 0.90 3.02 -0.06 3.92 1.43 0.17 -1.46 118.68 126.59 3i61 s LEU 449 Ca -0.01 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3i61 s LEU 449 Cb -0.15 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3i61 s LEU 449 CO 0.01 0.21 -0.06 -1.10 0.23 0.00 0.00 176.35 175.64 3i61 s GLN 450 N -1.98 1.10 -0.40 1.70 -0.21 -0.64 -0.38 119.66 118.85 3i61 s GLN 450 Ca 0.20 -0.16 -0.14 0.00 0.02 0.00 0.00 55.36 55.28 3i61 s GLN 450 Cb -0.11 -1.11 0.02 0.00 1.00 0.00 0.00 33.01 32.82 3i61 s GLN 450 CO 0.12 -0.13 0.27 0.42 -2.12 0.00 0.00 175.29 173.85 3i61 s ILE 451 N 1.17 5.01 0.01 1.08 1.01 -0.30 -0.27 121.20 128.91 3i61 s ILE 451 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3i61 s ILE 451 Cb -0.14 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3i61 s ILE 451 CO -0.01 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.25 3i61 n GLY 452 N 5.10 -2.15 3.91 6.18 0.00 -0.22 -4.16 105.19 113.84 3i61 n GLY 452 Ca -0.11 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 3i61 n GLY 452 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i61 s VAL 453 N -0.50 4.98 0.95 1.61 -7.23 -1.26 -4.82 120.40 114.13 3i61 s VAL 453 Ca 0.00 0.09 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 3i61 s VAL 453 Cb 0.00 -3.78 0.16 0.00 0.56 0.00 0.00 36.38 33.33 3i61 s VAL 453 CO 0.00 -0.48 1.11 -2.16 -0.31 0.00 0.00 175.10 173.26 3i61 s PRO 454 N -3.93 0.80 0.37 4.82 0.04 -1.26 -4.65 135.00 131.19 3i61 s PRO 454 Ca 0.45 0.43 0.28 0.00 0.04 0.00 0.00 61.00 62.20 3i61 s PRO 454 Cb -0.10 -1.79 1.08 0.00 0.04 0.00 0.00 34.50 33.73 3i61 s PRO 454 CO 0.34 -2.46 1.81 0.66 0.04 0.00 0.00 177.00 177.39 3i61 h SER 455 N -1.69 0.00 -5.01 6.66 4.64 -1.95 -3.44 113.55 112.75 3i61 h SER 455 Ca -0.52 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.71 3i61 h SER 455 Cb 1.33 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.23 3i61 h SER 455 CO 0.59 0.00 -0.08 -1.83 -0.87 0.00 0.00 176.83 174.64 3i61 s GLU 456 N -3.43 0.88 0.17 4.77 -1.05 -1.26 -5.00 118.70 113.78 3i61 s GLU 456 Ca 0.04 -0.15 -0.15 0.00 -0.15 0.00 0.00 54.97 54.56 3i61 s GLU 456 Cb 0.09 0.40 0.13 0.00 -0.44 0.00 0.00 34.13 34.30 3i61 s GLU 456 CO 0.48 -0.28 1.73 1.25 0.95 0.00 0.00 175.26 179.38 3i61 h LEU 457 N 3.28 0.03 -2.03 1.83 5.85 -1.97 -1.97 115.31 120.32 3i61 h LEU 457 Ca -0.30 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.58 3i61 h LEU 457 Cb 1.18 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3i61 h LEU 457 CO 0.41 0.05 0.22 0.00 -0.34 0.00 0.00 178.44 178.78 3i61 h ALA 458 N 1.32 2.22 0.00 1.25 0.00 -1.98 -1.81 119.26 120.25 3i61 h ALA 458 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i61 h ALA 458 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i61 h ALA 458 CO -0.26 -0.37 0.00 -0.91 0.00 0.00 0.00 179.25 177.71 3i61 h ASN 459 N 0.00 0.00 -0.19 0.00 4.21 -1.76 -1.68 115.58 116.15 3i61 h ASN 459 Ca 0.14 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.69 3i61 h ASN 459 Cb 0.57 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.73 3i61 h ASN 459 CO -0.00 0.00 -0.04 0.22 -1.29 0.00 0.00 177.43 176.32 3i61 h TYR 460 N 0.00 -0.09 -0.59 1.19 3.20 -1.44 0.20 116.97 119.44 3i61 h TYR 460 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3i61 h TYR 460 Cb 0.33 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3i61 h TYR 460 CO 0.00 -0.08 0.23 0.82 -1.64 0.00 0.00 178.16 177.49 3i61 h ILE 461 N 0.01 1.23 -0.23 1.81 2.04 -1.49 -2.29 117.51 118.58 3i61 h ILE 461 Ca 0.09 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 3i61 h ILE 461 Cb 0.14 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3i61 h ILE 461 CO -0.19 0.28 -0.15 0.45 0.00 0.00 0.00 178.15 178.53 3i61 h HIS 462 N 0.82 0.60 0.05 1.37 3.86 -1.40 -2.11 115.15 118.34 3i61 h HIS 462 Ca 0.20 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3i61 h HIS 462 Cb 0.22 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.51 3i61 h HIS 462 CO 0.01 0.81 -0.36 0.00 0.86 0.00 0.00 177.93 179.25 3i61 h ARG 463 N 0.22 -0.53 0.00 2.45 3.08 -0.52 -2.52 114.38 116.56 3i61 h ARG 463 Ca 0.05 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3i61 h ARG 463 Cb 0.67 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3i61 h ARG 463 CO 0.04 -0.35 -0.23 -0.84 -1.07 0.00 0.00 179.97 177.52 3i61 h ILE 464 N -0.55 0.79 0.00 2.04 3.07 -1.45 -2.06 117.51 119.36 3i61 h ILE 464 Ca 0.04 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.54 3i61 h ILE 464 Cb 0.61 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 3i61 h ILE 464 CO -0.26 0.22 0.00 0.61 -1.05 0.00 0.00 178.15 177.68 3i61 n GLY 465 N -0.42 -0.54 0.27 0.16 0.00 -0.80 -2.36 105.19 101.51 3i61 n GLY 465 Ca -0.01 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.10 3i61 n GLY 465 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i61 h ARG 466 N 0.00 0.00 -6.23 1.61 2.47 -1.28 -3.42 114.38 107.53 3i61 h ARG 466 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 3i61 h ARG 466 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 3i61 h ARG 466 CO 0.00 0.07 -0.30 -0.08 0.56 0.00 0.00 179.97 180.22 3i61 s THR 467 N -3.83 2.41 -1.29 2.04 -1.32 -0.99 -4.70 115.64 107.96 3i61 s THR 467 Ca -0.01 -1.28 -0.02 0.00 -1.21 0.00 0.00 61.69 59.18 3i61 s THR 467 Cb 0.11 -2.69 0.01 0.00 -1.51 0.00 0.00 72.50 68.42 3i61 s THR 467 CO 0.55 0.00 0.90 0.00 -2.21 0.00 0.00 174.62 173.86 3i61 n ALA 468 N -1.74 -1.88 -2.88 11.08 0.00 -1.21 -4.93 120.51 118.95 3i61 n ALA 468 Ca 0.05 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 3i61 n ALA 468 Cb 0.62 -2.73 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 3i61 n ALA 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i61 s ARG 469 N -5.82 3.30 -1.36 0.00 0.52 -1.26 -4.63 118.95 109.69 3i61 s ARG 469 Ca 0.12 -0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 54.79 3i61 s ARG 469 Cb -0.06 -2.96 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 3i61 s ARG 469 CO 0.77 0.59 0.49 0.45 0.02 0.00 0.00 175.30 177.62 3i61 n SER 470 N 0.29 -0.92 0.00 0.23 2.88 -0.69 -1.33 113.62 114.08 3i61 n SER 470 Ca -0.06 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 3i61 n SER 470 Cb 0.51 -3.20 0.00 0.00 -0.75 0.00 0.00 64.21 60.77 3i61 n SER 470 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i61 n GLY 471 N -1.91 1.13 3.89 0.46 0.00 -1.26 -5.02 105.19 102.48 3i61 n GLY 471 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3i61 n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i61 s LYS 472 N -0.09 3.14 0.76 1.61 -0.14 -0.44 -5.08 119.74 119.48 3i61 s LYS 472 Ca 0.00 0.39 -0.08 0.00 -1.36 0.00 0.00 55.97 54.91 3i61 s LYS 472 Cb 0.00 -2.14 0.08 0.00 -1.68 0.00 0.00 37.83 34.10 3i61 s LYS 472 CO 0.00 -0.74 1.08 -1.83 -0.76 0.00 0.00 175.35 173.10 3i61 s GLU 473 N -5.15 1.95 -0.19 1.68 1.03 -1.26 -4.16 118.70 112.59 3i61 s GLU 473 Ca 0.55 -0.24 -0.35 0.00 0.03 0.00 0.00 54.97 54.96 3i61 s GLU 473 Cb -0.11 -2.09 0.14 0.00 -0.80 0.00 0.00 34.13 31.27 3i61 s GLU 473 CO 0.50 -1.46 1.24 0.20 -1.33 0.00 0.00 175.26 174.41 3i61 s GLY 474 N -4.58 -0.29 0.14 -3.83 0.00 -1.26 -3.30 107.32 94.20 3i61 s GLY 474 Ca 0.62 1.59 0.05 0.00 0.00 0.00 0.00 44.72 46.99 3i61 s GLY 474 CO 0.47 0.52 -0.12 -0.56 0.00 0.00 0.00 173.10 173.41 3i61 s SER 475 N -2.20 1.90 0.00 1.64 0.01 -0.78 -1.33 113.70 112.94 3i61 s SER 475 Ca 0.10 -0.94 -0.00 0.00 1.31 0.00 0.00 55.95 56.41 3i61 s SER 475 Cb -0.01 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 3i61 s SER 475 CO -0.04 -0.26 0.00 -0.94 0.41 0.00 0.00 173.24 172.41 3i61 s SER 476 N -2.94 0.02 -0.11 2.44 1.04 -0.66 -1.59 113.70 111.91 3i61 s SER 476 Ca 0.14 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.53 3i61 s SER 476 Cb -0.00 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.16 3i61 s SER 476 CO 0.02 -0.04 -0.12 -0.69 0.98 0.00 0.00 173.24 173.39 3i61 s VAL 477 N -0.17 1.31 -0.33 5.02 1.01 -0.54 -0.95 120.40 125.74 3i61 s VAL 477 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 3i61 s VAL 477 Cb -0.01 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3i61 s VAL 477 CO -0.00 0.41 0.32 -0.22 0.00 0.00 0.00 175.10 175.61 3i61 s LEU 478 N 1.20 4.40 -0.47 3.92 2.96 -0.13 -1.62 118.68 128.93 3i61 s LEU 478 Ca -0.03 -0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 3i61 s LEU 478 Cb -0.14 -2.29 0.07 0.00 0.50 0.00 0.00 46.19 44.33 3i61 s LEU 478 CO -0.04 -0.28 0.43 -0.36 -1.32 0.00 0.00 176.35 174.78 3i61 s PHE 479 N 1.94 3.21 0.25 5.38 0.08 0.63 -0.06 117.98 129.41 3i61 s PHE 479 Ca 0.10 -0.83 0.04 0.00 0.12 0.00 0.00 56.93 56.36 3i61 s PHE 479 Cb -0.17 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 39.04 3i61 s PHE 479 CO 0.11 -0.82 -0.01 0.96 -0.10 0.00 0.00 175.22 175.36 3i61 s ILE 480 N 1.81 1.18 0.35 0.64 -4.36 -0.64 -1.06 121.20 119.12 3i61 s ILE 480 Ca 0.06 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 58.47 3i61 s ILE 480 Cb -0.23 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.09 3i61 s ILE 480 CO 0.08 -0.30 0.50 0.00 0.24 0.00 0.00 174.94 175.45 3i61 h LYS 482 N 0.83 0.68 0.00 0.00 1.79 -1.12 -0.13 116.57 118.62 3i61 h LYS 482 Ca -0.45 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 3i61 h LYS 482 Cb 1.26 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3i61 h LYS 482 CO 0.51 0.45 0.00 -0.25 -1.08 0.00 0.00 179.45 179.08 3i61 n ASP 483 N -4.81 0.52 -0.54 0.86 8.00 -1.26 -1.42 116.55 117.89 3i61 n ASP 483 Ca 0.18 0.65 0.13 0.00 0.71 0.00 0.00 54.79 56.46 3i61 n ASP 483 Cb 0.43 -0.75 0.46 0.00 -0.02 0.00 0.00 41.12 41.24 3i61 n ASP 483 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i61 n GLU 484 N -2.09 1.74 -0.02 -1.24 1.02 -0.06 -4.51 120.64 115.48 3i61 n GLU 484 Ca 0.02 -1.09 0.10 0.00 -0.02 0.00 0.00 57.16 56.17 3i61 n GLU 484 Cb 0.18 -1.46 0.50 0.00 -0.02 0.00 0.00 31.44 30.64 3i61 n GLU 484 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3i61 h LEU 485 N 2.55 0.35 -2.47 -4.62 3.38 -1.27 -2.11 115.31 111.11 3i61 h LEU 485 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i61 h LEU 485 Cb 0.54 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3i61 h LEU 485 CO 0.00 0.22 0.13 -0.65 0.09 0.00 0.00 178.44 178.23 3i61 h PRO 486 N 0.39 0.00 -0.53 1.13 0.11 -1.82 -0.23 132.00 131.05 3i61 h PRO 486 Ca 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 3i61 h PRO 486 Cb 0.34 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3i61 h PRO 486 CO -0.05 0.00 0.27 0.35 -0.21 0.00 0.00 178.00 178.36 3i61 h PHE 487 N 0.00 0.75 -0.39 0.65 3.57 -1.44 -1.34 116.94 118.74 3i61 h PHE 487 Ca 0.03 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3i61 h PHE 487 Cb 0.28 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3i61 h PHE 487 CO 0.00 0.57 -0.10 0.28 -2.23 0.00 0.00 178.31 176.83 3i61 h VAL 488 N 0.71 1.25 -0.49 1.41 2.07 -1.18 -1.18 116.25 118.83 3i61 h VAL 488 Ca 0.18 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 3i61 h VAL 488 Cb 0.09 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3i61 h VAL 488 CO -0.03 0.37 -0.11 0.03 0.02 0.00 0.00 177.57 177.85 3i61 h ARG 489 N 0.63 0.95 -0.26 1.57 -0.00 -1.38 -2.83 114.38 113.06 3i61 h ARG 489 Ca 0.11 -0.36 -0.07 0.00 -0.50 0.00 0.00 59.98 59.16 3i61 h ARG 489 Cb 0.54 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 3i61 h ARG 489 CO 0.03 1.03 -0.16 1.49 0.00 0.00 0.00 179.97 182.36 3i61 h GLU 490 N 0.81 0.45 -0.89 0.04 4.57 -0.93 0.38 114.58 119.02 3i61 h GLU 490 Ca 0.13 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3i61 h GLU 490 Cb 0.67 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.17 3i61 h GLU 490 CO 0.05 0.60 0.58 -0.07 -1.18 0.00 0.00 179.01 178.99 3i61 h LEU 491 N 0.42 1.00 0.12 1.64 3.38 -1.13 0.21 115.31 120.95 3i61 h LEU 491 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i61 h LEU 491 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3i61 h LEU 491 CO 0.03 0.71 -0.06 -0.33 0.09 0.00 0.00 178.44 178.89 3i61 h GLU 492 N 1.18 -0.15 -0.30 1.13 5.08 -1.16 -1.41 114.58 118.94 3i61 h GLU 492 Ca 0.33 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 3i61 h GLU 492 Cb -0.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3i61 h GLU 492 CO -0.08 0.18 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.51 3i61 h ASP 493 N -0.50 0.66 0.13 1.42 3.32 -0.80 -1.68 116.42 118.97 3i61 h ASP 493 Ca -0.02 -0.42 -0.35 0.00 0.02 0.00 0.00 57.03 56.27 3i61 h ASP 493 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3i61 h ASP 493 CO 0.03 0.93 -1.87 0.00 -1.72 0.00 0.00 179.24 176.61 3i61 h ALA 494 N 0.75 0.35 -0.04 3.45 0.00 -0.72 -3.41 119.26 119.64 3i61 h ALA 494 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3i61 h ALA 494 Cb 0.69 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3i61 h ALA 494 CO 0.05 1.19 0.00 1.63 0.00 0.00 0.00 179.25 182.11 3i61 n LYS 495 N -3.59 0.39 -2.13 0.00 4.76 -0.76 -5.00 118.16 111.83 3i61 n LYS 495 Ca -0.30 -1.04 -0.15 0.00 -2.87 0.00 0.00 58.31 53.95 3i61 n LYS 495 Cb 1.02 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 33.06 3i61 n LYS 495 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i61 n ASN 496 N 0.33 -4.68 -4.41 4.39 5.15 -0.62 -4.46 115.26 110.96 3i61 n ASN 496 Ca 0.04 0.06 -0.39 0.00 -0.60 0.00 0.00 54.58 53.69 3i61 n ASN 496 Cb 0.19 -3.76 -0.11 0.00 -0.53 0.00 0.00 39.78 35.57 3i61 n ASN 496 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i61 s ILE 497 N -2.73 4.57 -0.27 -1.44 1.01 -0.70 -4.63 121.20 117.01 3i61 s ILE 497 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 3i61 s ILE 497 Cb 0.00 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 39.08 3i61 s ILE 497 CO 0.00 -0.05 -0.01 -0.69 0.00 0.00 0.00 174.94 174.19 3i61 s VAL 498 N 1.59 3.23 -0.48 2.92 1.01 -1.26 -2.82 120.40 124.59 3i61 s VAL 498 Ca 0.04 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 3i61 s VAL 498 Cb -0.18 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.56 3i61 s VAL 498 CO 0.06 0.13 0.86 -0.63 0.00 0.00 0.00 175.10 175.52 3i61 s ILE 499 N 1.37 4.54 0.10 2.22 1.01 -1.26 -4.93 121.20 124.25 3i61 s ILE 499 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.96 3i61 s ILE 499 Cb -0.17 -4.41 -0.08 0.00 0.01 0.00 0.00 42.46 37.82 3i61 s ILE 499 CO -0.02 -0.85 1.45 0.00 0.00 0.00 0.00 174.94 175.53 3i61 h ALA 500 N 9.09 0.42 -2.03 9.38 0.00 -1.98 -3.41 119.26 130.73 3i61 h ALA 500 Ca -0.25 -0.35 -0.64 0.00 0.00 0.00 0.00 54.91 53.68 3i61 h ALA 500 Cb 1.08 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 3i61 h ALA 500 CO 1.01 0.35 0.31 0.15 0.00 0.00 0.00 179.25 181.06 3i61 s LYS 501 N -4.54 3.32 -0.06 0.00 1.02 -1.26 -5.02 119.74 113.20 3i61 s LYS 501 Ca -0.13 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.56 3i61 s LYS 501 Cb 0.08 -3.99 0.02 0.00 -0.52 0.00 0.00 37.83 33.42 3i61 s LYS 501 CO 0.81 -1.20 -0.10 -0.65 -0.92 0.00 0.00 175.35 173.29 3i61 s GLN 502 N 3.24 1.39 0.11 1.68 -0.21 -1.26 -0.76 119.66 123.85 3i61 s GLN 502 Ca 0.26 -0.31 -0.03 0.00 0.02 0.00 0.00 55.36 55.29 3i61 s GLN 502 Cb -0.14 -1.20 -0.03 0.00 1.00 0.00 0.00 33.01 32.64 3i61 s GLN 502 CO 0.19 0.00 0.09 -1.83 -2.12 0.00 0.00 175.29 171.62 3i61 s GLU 503 N 0.71 0.87 0.29 2.91 -1.05 -0.76 -4.99 118.70 116.67 3i61 s GLU 503 Ca -0.13 -1.28 0.02 0.00 -0.15 0.00 0.00 54.97 53.43 3i61 s GLU 503 Cb -0.15 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.78 3i61 s GLU 503 CO 0.03 -0.25 0.46 0.15 0.95 0.00 0.00 175.26 176.60 3i61 s LYS 504 N -3.98 3.47 -0.03 -4.83 1.02 -1.26 -0.80 119.74 113.34 3i61 s LYS 504 Ca 0.16 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.63 3i61 s LYS 504 Cb 0.07 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3i61 s LYS 504 CO -0.03 0.28 0.08 -0.47 -0.92 0.00 0.00 175.35 174.29 3i61 s TYR 505 N -2.14 -0.09 -0.04 3.18 5.04 -0.53 -4.80 117.35 117.98 3i61 s TYR 505 Ca 0.38 0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 55.22 3i61 s TYR 505 Cb -0.10 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.26 3i61 s TYR 505 CO 0.33 -0.05 0.02 -2.00 -1.34 0.00 0.00 175.55 172.51 3i61 s GLU 506 N 0.12 0.26 0.28 4.97 2.56 -1.26 -4.29 118.70 121.34 3i61 s GLU 506 Ca -0.01 0.18 -0.29 0.00 0.00 0.00 0.00 54.97 54.85 3i61 s GLU 506 Cb -0.01 -0.62 -0.09 0.00 2.00 0.00 0.00 34.13 35.40 3i61 s GLU 506 CO -0.00 -0.24 1.07 -1.25 -0.56 0.00 0.00 175.26 174.27 3i61 s PRO 507 N 1.62 4.63 0.71 4.30 0.04 -1.26 -5.04 135.00 140.01 3i61 s PRO 507 Ca -0.01 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 3i61 s PRO 507 Cb -0.13 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.30 3i61 s PRO 507 CO -0.03 0.23 1.08 -1.54 0.04 0.00 0.00 177.00 176.78 3i61 s SER 508 N -1.00 5.01 0.50 6.66 1.04 -1.26 -4.94 113.70 119.71 3i61 s SER 508 Ca 0.45 1.79 0.20 0.00 0.48 0.00 0.00 55.95 58.87 3i61 s SER 508 Cb -0.30 -2.52 1.29 0.00 0.10 0.00 0.00 66.02 64.59 3i61 s SER 508 CO 0.38 -1.69 2.08 -0.33 0.98 0.00 0.00 173.24 174.66 3i61 h GLU 509 N -0.64 0.00 -0.05 4.02 4.39 -2.00 -2.80 114.58 117.50 3i61 h GLU 509 Ca -0.44 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 3i61 h GLU 509 Cb 1.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3i61 h GLU 509 CO 0.54 0.11 0.01 0.93 -1.16 0.00 0.00 179.01 179.44 3i61 h GLU 510 N 0.00 0.08 -0.53 2.33 3.07 -1.99 -1.56 114.58 115.99 3i61 h GLU 510 Ca -0.00 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 3i61 h GLU 510 Cb 0.22 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3i61 h GLU 510 CO 0.01 0.33 -0.00 0.97 -1.40 0.00 0.00 179.01 178.92 3i61 h ILE 511 N -0.17 1.25 -0.03 3.13 6.09 -1.92 -1.07 117.51 124.78 3i61 h ILE 511 Ca 0.01 -1.07 0.01 0.00 -1.37 0.00 0.00 64.86 62.44 3i61 h ILE 511 Cb 0.29 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 3i61 h ILE 511 CO 0.00 0.38 -0.01 0.11 -3.07 0.00 0.00 178.15 175.56 3i61 h LYS 512 N 0.83 -0.01 -0.60 2.19 1.57 -1.45 -0.88 116.57 118.22 3i61 h LYS 512 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3i61 h LYS 512 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 3i61 h LYS 512 CO 0.02 -0.00 0.38 0.77 -0.57 0.00 0.00 179.45 180.04 3i61 h SER 513 N -0.01 0.72 -0.22 0.86 0.02 -1.13 0.17 113.55 113.96 3i61 h SER 513 Ca 0.02 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3i61 h SER 513 Cb 0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3i61 h SER 513 CO -0.04 0.55 0.13 -0.08 -1.14 0.00 0.00 176.83 176.26 3i61 h GLU 514 N 0.82 0.27 -0.13 3.45 4.81 -1.01 -1.98 114.58 120.81 3i61 h GLU 514 Ca 0.22 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 3i61 h GLU 514 Cb -0.04 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3i61 h GLU 514 CO -0.04 0.18 -0.21 0.28 -0.73 0.00 0.00 179.01 178.48 3i61 h VAL 515 N 0.28 1.37 -0.17 0.32 2.07 -0.97 -3.29 116.25 115.85 3i61 h VAL 515 Ca 0.08 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 66.04 3i61 h VAL 515 Cb -0.02 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3i61 h VAL 515 CO -0.03 0.43 -0.32 -0.07 0.02 0.00 0.00 177.57 177.60 3i61 h LEU 516 N -0.04 0.35 -1.26 2.57 3.38 -0.95 -3.22 115.31 116.13 3i61 h LEU 516 Ca 0.01 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3i61 h LEU 516 Cb 0.79 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3i61 h LEU 516 CO 0.05 0.66 -0.29 -0.33 0.09 0.00 0.00 178.44 178.61 3i61 h GLU 517 N 0.30 0.12 0.00 1.13 5.08 -1.43 -2.55 114.58 117.23 3i61 h GLU 517 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i61 h GLU 517 Cb 0.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3i61 h GLU 517 CO 0.05 0.41 -0.27 0.00 -1.00 0.00 0.00 179.01 178.21 3i61 n ALA 518 N -2.48 2.89 -1.81 3.43 0.00 -1.22 -4.82 120.51 116.51 3i61 n ALA 518 Ca -0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 3i61 n ALA 518 Cb 0.37 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 3i61 n ALA 518 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i61 s VAL 519 N -3.02 3.26 -2.27 0.00 1.01 -0.96 -4.87 120.40 113.54 3i61 s VAL 519 Ca 0.12 0.30 0.20 0.00 0.00 0.00 0.00 61.98 62.59 3i61 s VAL 519 Cb 0.17 -3.24 0.11 0.00 0.00 0.00 0.00 36.38 33.42 3i61 s VAL 519 CO 0.62 -0.08 1.08 0.35 0.00 0.00 0.00 175.10 177.07 3i61 n THR 520 N 6.27 0.00 -1.92 3.92 -2.24 -1.26 -5.00 114.28 114.06 3i61 n THR 520 Ca 0.22 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 3i61 n THR 520 Cb 0.43 1.36 -0.01 0.00 -2.10 0.00 0.00 70.33 70.01 3i61 n THR 520 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i61 s GLU 521 N -1.84 4.17 0.75 -0.78 8.01 -1.26 -5.02 118.70 122.74 3i61 s GLU 521 Ca 0.21 2.43 -0.11 0.00 0.01 0.00 0.00 54.97 57.51 3i61 s GLU 521 Cb 0.16 -2.99 0.04 0.00 -4.31 0.00 0.00 34.13 27.04 3i61 s GLU 521 CO 0.33 -0.42 1.08 -1.21 0.01 0.00 0.00 175.26 175.04 3i61 s GLU 522 N -2.01 2.44 0.25 1.61 2.02 -1.26 -4.85 118.70 116.90 3i61 s GLU 522 Ca 0.52 0.85 -0.03 0.00 0.02 0.00 0.00 54.97 56.33 3i61 s GLU 522 Cb -0.44 -1.94 0.45 0.00 0.10 0.00 0.00 34.13 32.30 3i61 s GLU 522 CO 0.59 -1.42 1.79 -1.35 0.02 0.00 0.00 175.26 174.89 3i61 h PRO 523 N -0.95 0.69 -0.61 0.39 0.11 -1.99 -0.97 132.00 128.67 3i61 h PRO 523 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3i61 h PRO 523 Cb 1.24 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3i61 h PRO 523 CO 0.57 0.46 0.40 0.93 -0.21 0.00 0.00 178.00 180.15 3i61 h GLU 524 N 0.71 0.78 -0.36 1.05 3.07 -1.99 0.01 114.58 117.86 3i61 h GLU 524 Ca 0.42 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.12 3i61 h GLU 524 Cb 0.48 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3i61 h GLU 524 CO -0.30 0.52 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.17 3i61 h ASP 525 N 0.81 0.81 -0.63 1.42 3.32 -1.58 -2.20 116.42 118.38 3i61 h ASP 525 Ca 0.22 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3i61 h ASP 525 Cb -0.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3i61 h ASP 525 CO -0.05 1.06 0.28 0.40 -1.72 0.00 0.00 179.24 179.21 3i61 h ILE 526 N 0.57 1.23 -0.34 0.35 1.08 -0.57 -0.89 117.51 118.94 3i61 h ILE 526 Ca 0.07 -0.67 0.05 0.00 -0.39 0.00 0.00 64.86 63.92 3i61 h ILE 526 Cb 0.78 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 3i61 h ILE 526 CO 0.06 0.27 0.08 -1.28 -0.69 0.00 0.00 178.15 176.59 3i61 h SER 527 N 0.88 0.03 -0.49 1.72 0.87 -0.98 0.25 113.55 115.84 3i61 h SER 527 Ca 0.21 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 3i61 h SER 527 Cb 0.16 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 3i61 h SER 527 CO -0.02 0.06 0.26 0.44 -0.53 0.00 0.00 176.83 177.04 3i61 h ASP 528 N 0.20 0.39 -0.00 6.23 3.32 -0.99 -0.03 116.42 125.54 3i61 h ASP 528 Ca 0.16 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3i61 h ASP 528 Cb 0.17 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3i61 h ASP 528 CO -0.20 0.28 0.00 0.40 -1.72 0.00 0.00 179.24 178.00 3i61 h ILE 529 N 0.52 1.10 -0.36 0.35 2.04 -0.68 -1.69 117.51 118.78 3i61 h ILE 529 Ca 0.21 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 3i61 h ILE 529 Cb 0.09 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3i61 h ILE 529 CO -0.13 0.07 -0.34 0.58 0.00 0.00 0.00 178.15 178.33 3i61 h VAL 530 N -0.12 1.28 -0.95 1.67 2.07 -0.82 -2.58 116.25 116.79 3i61 h VAL 530 Ca 0.00 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.02 3i61 h VAL 530 Cb 0.12 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3i61 h VAL 530 CO -0.00 0.50 0.62 0.40 0.02 0.00 0.00 177.57 179.11 3i61 h ILE 531 N 0.69 1.25 -0.90 4.57 2.04 -0.96 -0.10 117.51 124.10 3i61 h ILE 531 Ca 0.07 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.54 3i61 h ILE 531 Cb 0.90 -0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 3i61 h ILE 531 CO 0.08 0.24 0.56 0.77 0.00 0.00 0.00 178.15 179.80 3i61 h SER 532 N 1.30 0.86 -0.52 1.72 4.64 -0.94 -1.18 113.55 119.42 3i61 h SER 532 Ca 0.35 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.61 3i61 h SER 532 Cb -0.14 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 3i61 h SER 532 CO -0.07 0.53 0.02 -0.07 -0.87 0.00 0.00 176.83 176.37 3i61 h LEU 533 N 0.99 0.88 -0.12 5.97 3.38 -0.97 -1.81 115.31 123.62 3i61 h LEU 533 Ca 0.40 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3i61 h LEU 533 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3i61 h LEU 533 CO -0.19 0.96 -0.03 0.40 0.09 0.00 0.00 178.44 179.67 3i61 h ILE 534 N 0.77 0.89 -0.80 1.22 2.04 -0.44 -0.64 117.51 120.55 3i61 h ILE 534 Ca 0.15 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 3i61 h ILE 534 Cb 0.50 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3i61 h ILE 534 CO 0.02 0.00 0.48 0.28 0.00 0.00 0.00 178.15 178.93 3i61 h SER 535 N 0.01 0.97 -0.23 1.72 0.02 -1.14 -0.44 113.55 114.45 3i61 h SER 535 Ca 0.06 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3i61 h SER 535 Cb 0.08 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3i61 h SER 535 CO -0.12 0.75 -0.18 0.77 -1.14 0.00 0.00 176.83 176.91 3i61 h SER 536 N 1.10 0.56 -0.17 3.07 4.64 -1.08 -2.93 113.55 118.74 3i61 h SER 536 Ca 0.29 -0.45 -0.08 0.00 -0.47 0.00 0.00 61.79 61.08 3i61 h SER 536 Cb -0.03 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3i61 h SER 536 CO -0.05 0.90 -0.13 1.88 -0.87 0.00 0.00 176.83 178.56 3i61 h TYR 537 N 0.24 0.60 -0.83 4.77 -1.99 -1.02 -2.75 116.97 115.98 3i61 h TYR 537 Ca 0.04 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.68 3i61 h TYR 537 Cb 0.72 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 39.25 3i61 h TYR 537 CO 0.07 0.66 0.53 -0.09 -0.00 0.00 0.00 178.16 179.34 3i61 h ARG 538 N 0.51 1.11 0.00 4.88 2.43 -1.03 -2.59 114.38 119.69 3i61 h ARG 538 Ca 0.09 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i61 h ARG 538 Cb 0.52 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3i61 h ARG 538 CO 0.03 0.75 0.00 -1.13 -1.51 0.00 0.00 179.97 178.11 3i61 n SER 539 N -4.39 0.14 -0.21 -3.80 3.41 -1.04 -3.20 113.62 104.53 3i61 n SER 539 Ca 0.09 0.52 0.03 0.00 -0.26 0.00 0.00 58.87 59.25 3i61 n SER 539 Cb 0.04 -0.56 0.06 0.00 -0.26 0.00 0.00 64.21 63.49 3i61 n SER 539 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i61 h ILE 541 N 0.62 0.85 -0.26 0.00 2.04 -1.48 -1.38 117.51 117.91 3i61 h ILE 541 Ca 0.00 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3i61 h ILE 541 Cb 0.63 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3i61 h ILE 541 CO 0.01 0.05 -0.08 0.11 0.00 0.00 0.00 178.15 178.24 3i61 h LYS 542 N 0.26 0.50 -0.78 2.37 1.57 -1.85 0.12 116.57 118.77 3i61 h LYS 542 Ca 0.18 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3i61 h LYS 542 Cb 0.18 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3i61 h LYS 542 CO -0.20 0.73 0.37 1.49 -0.57 0.00 0.00 179.45 181.27 3i61 h GLU 543 N 0.25 1.12 -0.43 3.15 4.81 -1.82 -2.93 114.58 118.73 3i61 h GLU 543 Ca 0.06 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3i61 h GLU 543 Cb 0.55 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3i61 h GLU 543 CO 0.03 0.87 0.00 0.66 -0.73 0.00 0.00 179.01 179.84 3i61 n TYR 544 N -4.37 0.56 -3.66 0.92 4.01 -0.54 -4.98 117.16 109.10 3i61 n TYR 544 Ca 0.07 -0.28 -0.25 0.00 -0.16 0.00 0.00 57.90 57.29 3i61 n TYR 544 Cb 0.13 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3i61 n TYR 544 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3i61 n ARG 545 N 1.53 -7.28 -1.99 -0.72 1.74 -0.54 -3.61 116.66 105.79 3i61 n ARG 545 Ca 0.20 0.78 -0.32 0.00 -0.77 0.00 0.00 57.85 57.74 3i61 n ARG 545 Cb 0.62 -5.78 0.01 0.00 -1.02 0.00 0.00 32.46 26.28 3i61 n ARG 545 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i61 s PHE 546 N -3.33 3.10 -0.46 -1.55 0.08 -0.08 -4.83 117.98 110.92 3i61 s PHE 546 Ca 0.54 1.48 -0.21 0.00 0.12 0.00 0.00 56.93 58.85 3i61 s PHE 546 Cb -0.25 -2.94 0.03 0.00 -0.57 0.00 0.00 43.02 39.29 3i61 s PHE 546 CO 0.75 -1.02 0.70 0.45 -0.10 0.00 0.00 175.22 176.01 3i61 s SER 547 N -3.08 6.34 0.24 1.36 0.15 -1.26 -4.82 113.70 112.62 3i61 s SER 547 Ca 0.61 -0.33 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 3i61 s SER 547 Cb -0.15 -2.34 0.43 0.00 -1.71 0.00 0.00 66.02 62.25 3i61 s SER 547 CO 0.40 -0.86 1.75 -0.08 1.20 0.00 0.00 173.24 175.66 3i61 h GLU 548 N 8.95 0.51 0.00 5.44 4.81 -1.95 -0.15 114.58 132.19 3i61 h GLU 548 Ca -0.25 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3i61 h GLU 548 Cb 1.09 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 3i61 h GLU 548 CO 0.93 0.34 -0.04 0.07 -0.73 0.00 0.00 179.01 179.58 3i61 h ARG 549 N 0.53 0.00 0.00 1.92 0.11 -2.00 -2.61 114.38 112.32 3i61 h ARG 549 Ca 0.40 0.00 -0.44 0.00 0.10 0.00 0.00 59.98 60.04 3i61 h ARG 549 Cb 0.54 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.56 3i61 h ARG 549 CO -0.35 0.04 -2.52 0.54 0.10 0.00 0.00 179.97 177.78 3i61 n ARG 550 N -3.34 0.59 -0.18 0.08 1.74 -0.65 -4.52 116.66 110.39 3i61 n ARG 550 Ca -0.02 0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 57.19 3i61 n ARG 550 Cb 0.17 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3i61 n ARG 550 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3i61 h ILE 551 N -0.75 1.26 -0.24 0.55 6.09 -1.06 -2.61 117.51 120.75 3i61 h ILE 551 Ca -0.67 -1.10 -0.09 0.00 -1.37 0.00 0.00 64.86 61.63 3i61 h ILE 551 Cb 1.68 0.97 -0.00 0.00 0.47 0.00 0.00 36.82 39.93 3i61 h ILE 551 CO -0.34 0.39 -0.19 -0.07 -3.07 0.00 0.00 178.15 174.86 3i61 h LEU 552 N 0.76 0.59 -0.91 2.19 3.38 -1.69 -0.68 115.31 118.95 3i61 h LEU 552 Ca 0.14 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3i61 h LEU 552 Cb 0.54 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3i61 h LEU 552 CO 0.03 0.92 0.38 -0.65 0.09 0.00 0.00 178.44 179.21 3i61 h PRO 553 N 0.27 1.17 -0.23 1.13 0.11 -1.78 -1.28 132.00 131.40 3i61 h PRO 553 Ca 0.04 -0.17 0.01 0.00 0.11 0.00 0.00 66.00 65.99 3i61 h PRO 553 Cb 0.73 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3i61 h PRO 553 CO 0.05 0.90 0.12 1.49 -0.21 0.00 0.00 178.00 180.35 3i61 h GLU 554 N 1.16 0.24 -0.39 1.05 4.57 -1.29 0.64 114.58 120.55 3i61 h GLU 554 Ca 0.28 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3i61 h GLU 554 Cb 0.12 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3i61 h GLU 554 CO -0.03 0.16 0.23 0.82 -1.18 0.00 0.00 179.01 179.01 3i61 h ILE 555 N 0.25 1.13 -0.53 2.32 1.08 -0.98 -2.74 117.51 118.04 3i61 h ILE 555 Ca 0.09 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 3i61 h ILE 555 Cb 0.02 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 3i61 h ILE 555 CO -0.06 0.13 0.30 0.00 -0.69 0.00 0.00 178.15 177.84 3i61 h ALA 556 N 1.10 1.53 0.00 1.87 0.00 -0.95 -2.25 119.26 120.56 3i61 h ALA 556 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i61 h ALA 556 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i61 h ALA 556 CO -0.03 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.28 3i61 h SER 557 N 0.73 0.00 -0.84 0.00 4.64 -0.56 -1.98 113.55 115.55 3i61 h SER 557 Ca 0.19 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.73 3i61 h SER 557 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 3i61 h SER 557 CO -0.03 0.00 0.58 0.74 -0.87 0.00 0.00 176.83 177.25 3i61 h THR 558 N 0.00 0.63 0.08 2.95 2.02 -1.40 -2.10 112.91 115.10 3i61 h THR 558 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3i61 h THR 558 Cb 0.18 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3i61 h THR 558 CO 0.00 0.03 -0.04 0.22 0.37 0.00 0.00 175.52 176.10 3i61 h TYR 559 N 0.18 -0.11 -0.68 3.16 3.20 -1.56 -0.68 116.97 120.48 3i61 h TYR 559 Ca 0.42 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 3i61 h TYR 559 Cb 1.37 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 3i61 h TYR 559 CO -0.00 -0.04 0.22 0.78 -1.64 0.00 0.00 178.16 177.48 3i61 h GLY 560 N -0.15 1.10 0.87 1.82 0.00 -1.57 -1.94 103.07 103.21 3i61 h GLY 560 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3i61 h GLY 560 CO 0.02 0.59 0.05 -2.08 0.00 0.00 0.00 176.54 175.11 3i61 h VAL 561 N 0.99 1.15 0.00 4.60 2.07 -1.20 0.34 116.25 124.21 3i61 h VAL 561 Ca 0.22 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3i61 h VAL 561 Cb 0.27 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3i61 h VAL 561 CO -0.01 0.14 -0.24 -0.07 0.02 0.00 0.00 177.57 177.41 3i61 h LEU 562 N 0.03 0.00 -1.21 2.57 3.38 -1.07 -0.88 115.31 118.13 3i61 h LEU 562 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i61 h LEU 562 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i61 h LEU 562 CO -0.00 0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.94 3i61 n LEU 563 N -4.15 1.79 -3.18 1.67 4.77 -0.74 -4.95 117.00 112.21 3i61 n LEU 563 Ca -0.02 -0.82 -0.23 0.00 -0.03 0.00 0.00 56.01 54.91 3i61 n LEU 563 Cb 0.30 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3i61 n LEU 563 CO 0.36 0.41 0.01 -3.20 -1.33 0.00 0.00 177.39 173.64 3i61 n ASN 564 N 0.43 -5.46 -3.41 -1.43 5.15 -0.34 -4.97 115.26 105.24 3i61 n ASN 564 Ca 0.14 -0.34 -0.24 0.00 -0.60 0.00 0.00 54.58 53.54 3i61 n ASN 564 Cb 0.32 -4.42 -0.10 0.00 -0.53 0.00 0.00 39.78 35.05 3i61 n ASN 564 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i61 s ASP 565 N -2.76 2.16 0.55 1.20 -1.08 0.11 -5.01 116.67 111.84 3i61 s ASP 565 Ca 0.36 -1.96 0.25 0.00 -0.52 0.00 0.00 52.55 50.68 3i61 s ASP 565 Cb -0.17 0.01 1.48 0.00 -1.46 0.00 0.00 42.92 42.78 3i61 s ASP 565 CO 0.44 -0.28 2.05 -0.65 0.52 0.00 0.00 175.17 177.25 3i61 h PRO 566 N 6.98 0.00 -0.01 4.34 0.11 -1.94 -1.62 132.00 139.87 3i61 h PRO 566 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3i61 h PRO 566 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i61 h PRO 566 CO 0.23 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 177.91 3i61 n GLN 567 N -4.14 1.02 -2.57 1.05 10.64 -1.26 -4.87 117.38 117.25 3i61 n GLN 567 Ca 0.05 -0.47 -0.42 0.00 -1.83 0.00 0.00 57.00 54.32 3i61 n GLN 567 Cb 0.43 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.28 3i61 n GLN 567 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3i61 s LEU 568 N -2.31 4.40 0.33 2.61 2.96 -0.61 -5.05 118.68 121.02 3i61 s LEU 568 Ca 0.32 1.88 0.07 0.00 -0.22 0.00 0.00 54.13 56.18 3i61 s LEU 568 Cb 0.20 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 3i61 s LEU 568 CO 0.44 -0.32 0.37 -0.54 -1.32 0.00 0.00 176.35 174.98 3i61 s LYS 569 N 0.71 2.90 -0.26 1.98 1.02 -1.26 -4.12 119.74 120.71 3i61 s LYS 569 Ca 0.54 -1.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.07 3i61 s LYS 569 Cb -0.26 -2.63 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3i61 s LYS 569 CO 0.30 0.09 1.13 0.42 -0.92 0.00 0.00 175.35 176.37 3i61 s ILE 570 N -2.25 4.47 0.01 2.17 1.01 -1.03 -4.65 121.20 120.93 3i61 s ILE 570 Ca 0.43 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.50 3i61 s ILE 570 Cb -0.07 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 3i61 s ILE 570 CO 0.28 -0.32 1.26 -2.16 0.00 0.00 0.00 174.94 174.01 3i61 s PRO 571 N 3.55 4.36 0.27 2.79 0.04 -1.26 -1.46 135.00 143.29 3i61 s PRO 571 Ca 0.48 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 3i61 s PRO 571 Cb -0.16 -3.47 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 3i61 s PRO 571 CO 0.13 -0.41 0.35 0.14 0.04 0.00 0.00 177.00 177.25 3i61 s VAL 572 N 1.79 0.00 0.26 -0.36 -7.23 -0.65 -4.91 120.40 109.30 3i61 s VAL 572 Ca 0.59 -1.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 3i61 s VAL 572 Cb -0.29 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 3i61 s VAL 572 CO 0.26 0.00 0.31 -0.94 -0.31 0.00 0.00 175.10 174.43 3i61 s SER 573 N -3.16 5.95 0.20 4.85 1.04 -1.26 -2.46 113.70 118.86 3i61 s SER 573 Ca 0.32 -0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.56 3i61 s SER 573 Cb 0.02 -1.58 0.14 0.00 0.10 0.00 0.00 66.02 64.70 3i61 s SER 573 CO 0.15 -0.12 1.76 -0.09 0.98 0.00 0.00 173.24 175.92 3i61 h ARG 574 N 1.25 1.13 -0.65 4.02 9.65 -1.98 -1.99 114.38 125.81 3i61 h ARG 574 Ca -0.50 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.17 3i61 h ARG 574 Cb 1.24 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.61 3i61 h ARG 574 CO 0.60 0.93 0.39 -0.09 2.80 0.00 0.00 179.97 184.59 3i61 h ARG 575 N 1.09 0.87 -0.17 0.20 9.65 -1.98 0.14 114.38 124.17 3i61 h ARG 575 Ca 0.25 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 3i61 h ARG 575 Cb 0.23 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3i61 h ARG 575 CO -0.02 0.62 0.02 0.35 2.80 0.00 0.00 179.97 183.74 3i61 h PHE 576 N 0.89 0.32 -0.66 2.20 3.57 -1.85 -1.11 116.94 120.30 3i61 h PHE 576 Ca 0.23 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3i61 h PHE 576 Cb -0.03 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3i61 h PHE 576 CO 0.00 0.48 0.40 1.25 -2.23 0.00 0.00 178.31 178.21 3i61 h LEU 577 N 0.07 0.79 -0.48 0.59 5.85 -0.89 -1.07 115.31 120.16 3i61 h LEU 577 Ca 0.05 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3i61 h LEU 577 Cb 0.34 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3i61 h LEU 577 CO 0.01 0.61 0.18 0.44 -0.34 0.00 0.00 178.44 179.34 3i61 h ASP 578 N 0.89 0.20 -0.22 1.25 5.19 -0.67 0.82 116.42 123.88 3i61 h ASP 578 Ca 0.24 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.71 3i61 h ASP 578 Cb -0.03 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 3i61 h ASP 578 CO -0.04 0.15 0.10 0.11 -3.12 0.00 0.00 179.24 176.43 3i61 h LYS 579 N 0.36 0.21 -0.04 3.56 6.56 -0.76 -2.74 116.57 123.74 3i61 h LYS 579 Ca 0.23 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.74 3i61 h LYS 579 Cb 0.22 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 3i61 h LYS 579 CO -0.22 0.14 -0.25 -0.07 -2.06 0.00 0.00 179.45 176.99 3i61 h LEU 580 N 0.22 0.06 0.00 2.94 4.07 -0.89 -3.47 115.31 118.23 3i61 h LEU 580 Ca 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3i61 h LEU 580 Cb 0.03 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.76 3i61 h LEU 580 CO -0.07 0.31 0.00 0.61 -1.08 0.00 0.00 178.44 178.21 3i61 n GLY 581 N -0.75 1.33 0.20 0.83 0.00 0.25 -5.00 105.19 102.06 3i61 n GLY 581 Ca -0.02 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.72 3i61 n GLY 581 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i61 n LEU 582 N 0.00 1.71 0.23 0.99 4.77 -1.01 -4.85 117.00 118.84 3i61 n LEU 582 Ca 0.00 -2.53 0.12 0.00 -0.03 0.00 0.00 56.01 53.57 3i61 n LEU 582 Cb 0.18 -0.31 0.47 0.00 -2.33 0.00 0.00 43.42 41.43 3i61 n LEU 582 CO 0.00 0.59 0.84 0.77 -1.33 0.00 0.00 177.39 178.27 3i61 h SER 583 N 0.02 0.00 -0.14 -1.43 4.64 -1.91 -3.02 113.55 111.71 3i61 h SER 583 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i61 h SER 583 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3i61 h SER 583 CO 0.00 0.14 0.00 0.54 -0.87 0.00 0.00 176.83 176.64 3i61 n ARG 584 N -3.25 2.47 -4.02 4.77 1.74 -1.26 -4.99 116.66 112.11 3i61 n ARG 584 Ca 0.01 -2.28 -0.35 0.00 -0.77 0.00 0.00 57.85 54.45 3i61 n ARG 584 Cb 0.42 -1.43 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 3i61 n ARG 584 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i61 s SER 585 N -1.78 6.03 0.46 0.55 0.15 -1.14 -4.99 113.70 112.98 3i61 s SER 585 Ca 0.25 0.32 0.18 0.00 0.70 0.00 0.00 55.95 57.41 3i61 s SER 585 Cb 0.20 -1.86 1.12 0.00 -1.71 0.00 0.00 66.02 63.77 3i61 s SER 585 CO 0.07 0.35 2.00 1.55 1.20 0.00 0.00 173.24 178.41 3i61 h PRO 586 N 4.64 0.00 -0.15 5.44 0.13 -1.96 -2.37 132.00 137.72 3i61 h PRO 586 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3i61 h PRO 586 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3i61 h PRO 586 CO 0.60 0.18 0.10 0.82 -0.23 0.00 0.00 178.00 179.47 3i61 h ILE 587 N 0.00 1.06 -0.84 -3.56 2.04 -1.94 -2.15 117.51 112.12 3i61 h ILE 587 Ca -0.00 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3i61 h ILE 587 Cb 0.37 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3i61 h ILE 587 CO 0.02 0.05 0.46 1.23 0.00 0.00 0.00 178.15 179.92 3i61 h GLY 588 N 0.19 1.26 1.96 5.37 0.00 -1.67 -2.64 103.07 107.54 3i61 h GLY 588 Ca 0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 3i61 h GLY 588 CO -0.01 0.55 -0.25 1.70 0.00 0.00 0.00 176.54 178.52 3i61 h LYS 589 N 1.18 0.05 0.00 4.80 3.64 -1.29 -1.65 116.57 123.29 3i61 h LYS 589 Ca 0.30 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3i61 h LYS 589 Cb 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3i61 h LYS 589 CO -0.05 0.30 0.00 0.00 -2.27 0.00 0.00 179.45 177.43 3i61 h ALA 590 N 1.70 1.00 0.02 5.00 0.00 -1.04 -3.35 119.26 122.60 3i61 h ALA 590 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 3i61 h ALA 590 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3i61 h ALA 590 CO 0.03 0.00 -2.32 -1.33 0.00 0.00 0.00 179.25 175.63 3i61 n MET 591 N -3.04 0.68 -4.28 0.00 2.81 -0.95 -4.95 117.12 107.40 3i61 n MET 591 Ca 0.03 0.14 -0.22 0.00 -1.81 0.00 0.00 57.70 55.84 3i61 n MET 591 Cb 0.44 -1.57 -0.12 0.00 -0.71 0.00 0.00 33.22 31.25 3i61 n MET 591 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i61 s PHE 592 N -2.53 1.68 -0.15 2.03 0.08 -0.66 -2.47 117.98 115.96 3i61 s PHE 592 Ca -0.25 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.36 3i61 s PHE 592 Cb 0.08 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.64 3i61 s PHE 592 CO 0.70 0.21 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.83 3i61 s GLU 593 N -2.16 3.10 -1.29 0.44 2.12 -0.53 -4.67 118.70 115.70 3i61 s GLU 593 Ca 0.08 -0.81 -0.18 0.00 0.36 0.00 0.00 54.97 54.41 3i61 s GLU 593 Cb -0.08 -2.53 0.03 0.00 0.26 0.00 0.00 34.13 31.81 3i61 s GLU 593 CO 0.04 -0.02 1.84 -0.89 -0.54 0.00 0.00 175.26 175.69 3i61 n ILE 594 N 4.13 3.50 -3.10 -3.70 5.41 -1.26 -1.64 119.36 122.70 3i61 n ILE 594 Ca -0.20 -3.56 -0.44 0.00 1.00 0.00 0.00 62.75 59.55 3i61 n ILE 594 Cb 0.51 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 3i61 n ILE 594 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3i61 n ARG 595 N 8.04 3.65 0.00 0.38 0.63 -1.03 -4.95 116.66 123.38 3i61 n ARG 595 Ca 0.49 -4.24 0.12 0.00 -0.92 0.00 0.00 57.85 53.30 3i61 n ARG 595 Cb 0.45 -2.71 0.13 0.00 0.45 0.00 0.00 32.46 30.79 3i61 n ARG 595 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87