#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5y s LYS 89 N 0.00 4.46 -0.31 4.33 2.20 -1.01 -4.95 119.74 124.47 3i5y s LYS 89 Ca 0.00 1.65 -0.04 0.00 -0.36 0.00 0.00 55.97 57.22 3i5y s LYS 89 Cb 0.00 -3.41 0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3i5y s LYS 89 CO 0.00 -0.22 0.03 -1.17 -0.36 0.00 0.00 175.35 173.63 3i5y s LEU 90 N 1.21 3.97 -0.46 5.43 2.96 -1.26 -1.02 118.68 129.49 3i5y s LEU 90 Ca 0.56 -1.15 -0.19 0.00 -0.22 0.00 0.00 54.13 53.13 3i5y s LEU 90 Cb -0.26 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.70 3i5y s LEU 90 CO 0.28 -0.26 0.58 -0.63 -1.32 0.00 0.00 176.35 174.99 3i5y s ILE 91 N 1.33 4.92 0.14 6.68 1.01 -0.19 -4.97 121.20 130.12 3i5y s ILE 91 Ca -0.03 -0.28 -0.31 0.00 0.00 0.00 0.00 60.65 60.03 3i5y s ILE 91 Cb -0.19 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 3i5y s ILE 91 CO 0.00 -0.64 1.36 -1.00 0.00 0.00 0.00 174.94 174.67 3i5y s HIS 92 N 2.55 3.24 -0.55 3.97 3.76 -1.26 -0.91 115.29 126.09 3i5y s HIS 92 Ca 0.16 1.04 0.04 0.00 -0.15 0.00 0.00 55.06 56.15 3i5y s HIS 92 Cb -0.17 -3.66 0.16 0.00 1.11 0.00 0.00 32.58 30.02 3i5y s HIS 92 CO 0.14 -2.23 0.37 0.08 -0.85 0.00 0.00 174.74 172.25 3i5y s VAL 93 N 0.79 1.93 1.04 -0.90 1.01 -0.42 -4.91 120.40 118.94 3i5y s VAL 93 Ca 0.62 -3.39 -0.16 0.00 0.00 0.00 0.00 61.98 59.06 3i5y s VAL 93 Cb -0.37 -2.30 0.21 0.00 0.00 0.00 0.00 36.38 33.92 3i5y s VAL 93 CO 0.33 -1.00 1.17 -2.16 0.00 0.00 0.00 175.10 173.43 3i5y s PRO 94 N -0.54 0.07 0.04 2.72 0.04 -1.26 -2.41 135.00 133.66 3i5y s PRO 94 Ca 0.24 -0.00 -0.31 0.00 0.04 0.00 0.00 61.00 60.97 3i5y s PRO 94 Cb -0.10 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 3i5y s PRO 94 CO -0.11 -2.86 1.47 0.21 0.04 0.00 0.00 177.00 175.75 3i5y s LYS 95 N -5.45 4.26 -0.09 4.56 2.20 -1.22 -4.83 119.74 119.16 3i5y s LYS 95 Ca 0.69 2.09 -0.02 0.00 -0.36 0.00 0.00 55.97 58.38 3i5y s LYS 95 Cb -0.10 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 3i5y s LYS 95 CO 0.55 -0.60 -0.02 -1.83 -0.36 0.00 0.00 175.35 173.09 3i5y s GLU 96 N 2.22 3.04 0.00 4.03 4.04 -1.26 -5.03 118.70 125.74 3i5y s GLU 96 Ca 0.67 -0.46 0.15 0.00 0.04 0.00 0.00 54.97 55.37 3i5y s GLU 96 Cb -0.35 -2.77 0.27 0.00 0.02 0.00 0.00 34.13 31.30 3i5y s GLU 96 CO 0.29 0.62 1.16 -0.25 -1.84 0.00 0.00 175.26 175.24 3i5y n ASP 97 N 2.39 2.75 0.00 0.83 8.00 -1.26 -4.50 116.55 124.77 3i5y n ASP 97 Ca -0.18 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.51 3i5y n ASP 97 Cb 0.53 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3i5y n ASP 97 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3i5y n ASN 98 N 0.86 0.75 -4.79 -2.24 6.94 -1.26 -5.11 115.26 110.41 3i5y n ASN 98 Ca 0.12 -1.31 -0.30 0.00 -0.02 0.00 0.00 54.58 53.07 3i5y n ASN 98 Cb 0.43 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.94 3i5y n ASN 98 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3i5y s SER 99 N -0.31 4.62 0.03 0.53 1.04 -1.26 -4.99 113.70 113.36 3i5y s SER 99 Ca 0.00 1.49 -0.30 0.00 0.48 0.00 0.00 55.95 57.62 3i5y s SER 99 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 3i5y s SER 99 CO 0.00 -1.91 0.99 -1.59 0.98 0.00 0.00 173.24 171.71 3i5y s LYS 100 N -5.06 4.58 -0.22 4.02 0.00 -1.26 -4.96 119.74 116.85 3i5y s LYS 100 Ca 0.60 1.45 -0.29 0.00 0.00 0.00 0.00 55.97 57.74 3i5y s LYS 100 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 37.83 34.21 3i5y s LYS 100 CO 0.55 -0.00 1.94 -2.00 0.00 0.00 0.00 175.35 175.84 3i5y s GLU 101 N 0.77 3.45 0.45 1.78 2.12 -1.26 -4.98 118.70 121.03 3i5y s GLU 101 Ca 0.51 1.85 -0.21 0.00 0.36 0.00 0.00 54.97 57.48 3i5y s GLU 101 Cb -0.22 -4.23 -0.10 0.00 0.26 0.00 0.00 34.13 29.85 3i5y s GLU 101 CO 0.29 -1.72 1.00 0.08 -0.54 0.00 0.00 175.26 174.37 3i5y s VAL 102 N 6.77 4.03 0.15 3.70 1.01 -1.26 -5.06 120.40 129.74 3i5y s VAL 102 Ca 0.87 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 64.10 3i5y s VAL 102 Cb -0.29 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3i5y s VAL 102 CO 0.34 -0.23 0.21 0.42 0.00 0.00 0.00 175.10 175.85 3i5y s THR 103 N -2.00 0.08 0.10 3.92 -4.23 -1.26 -4.64 115.64 107.61 3i5y s THR 103 Ca 0.63 -1.54 -0.22 0.00 -1.18 0.00 0.00 61.69 59.38 3i5y s THR 103 Cb -0.14 -1.88 -0.11 0.00 1.34 0.00 0.00 72.50 71.71 3i5y s THR 103 CO 0.18 -0.37 1.72 -0.07 -0.54 0.00 0.00 174.62 175.54 3i5y h LEU 104 N 2.65 -0.11 -0.10 4.79 3.38 -1.98 -1.12 115.31 122.84 3i5y h LEU 104 Ca -0.33 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.71 3i5y h LEU 104 Cb 1.22 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 3i5y h LEU 104 CO 0.52 -0.05 -0.18 0.44 0.09 0.00 0.00 178.44 179.26 3i5y h ASP 105 N -0.04 -0.56 -0.64 -0.43 3.32 -1.97 -1.28 116.42 114.82 3i5y h ASP 105 Ca 0.03 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3i5y h ASP 105 Cb 0.09 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3i5y h ASP 105 CO -0.07 -0.24 0.39 0.77 -1.72 0.00 0.00 179.24 178.38 3i5y h SER 106 N -0.25 0.76 -0.15 6.45 4.64 -1.93 -1.77 113.55 121.30 3i5y h SER 106 Ca 0.09 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3i5y h SER 106 Cb 0.37 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3i5y h SER 106 CO -0.24 0.59 0.02 -0.07 -0.87 0.00 0.00 176.83 176.26 3i5y h LEU 107 N 0.87 0.32 0.42 5.97 3.38 -0.91 -0.75 115.31 124.60 3i5y h LEU 107 Ca 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3i5y h LEU 107 Cb -0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3i5y h LEU 107 CO -0.04 0.36 -0.20 0.25 0.09 0.00 0.00 178.44 178.90 3i5y h LEU 108 N 0.35 -0.47 -1.48 1.67 5.85 -0.41 -2.26 115.31 118.56 3i5y h LEU 108 Ca 0.08 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3i5y h LEU 108 Cb 0.20 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3i5y h LEU 108 CO 0.00 -0.14 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.69 3i5y h GLU 109 N -0.84 0.09 0.00 1.25 4.57 -1.27 -2.50 114.58 115.88 3i5y h GLU 109 Ca -0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3i5y h GLU 109 Cb 0.55 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3i5y h GLU 109 CO 0.09 0.29 0.00 1.49 -1.18 0.00 0.00 179.01 179.71 3i5y h GLU 110 N 0.09 0.00 0.00 1.92 4.81 -1.15 -3.47 114.58 116.78 3i5y h GLU 110 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3i5y h GLU 110 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3i5y h GLU 110 CO 0.03 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 3i5y n GLY 111 N 0.31 0.45 0.10 1.92 0.00 -0.94 -4.98 105.19 102.06 3i5y n GLY 111 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3i5y n GLY 111 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i5y h VAL 112 N 0.00 1.57 -2.84 1.61 2.07 -1.65 -3.45 116.25 113.55 3i5y h VAL 112 Ca 0.00 -2.28 -0.67 0.00 0.82 0.00 0.00 66.70 64.58 3i5y h VAL 112 Cb 0.00 3.04 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 3i5y h VAL 112 CO 0.00 0.63 -0.52 -0.76 0.02 0.00 0.00 177.57 176.94 3i5y s LEU 113 N -8.19 4.17 0.50 2.57 1.02 -0.95 -5.02 118.68 112.79 3i5y s LEU 113 Ca -0.15 0.37 -0.09 0.00 0.02 0.00 0.00 54.13 54.28 3i5y s LEU 113 Cb 0.00 -2.00 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 3i5y s LEU 113 CO 0.78 0.39 0.87 -0.62 0.02 0.00 0.00 176.35 177.79 3i5y s ASP 114 N -0.92 6.37 0.31 2.29 2.15 -1.26 -4.37 116.67 121.23 3i5y s ASP 114 Ca 0.14 1.19 0.03 0.00 0.43 0.00 0.00 52.55 54.34 3i5y s ASP 114 Cb -0.12 -2.36 0.63 0.00 -0.30 0.00 0.00 42.92 40.77 3i5y s ASP 114 CO 0.03 -0.61 1.86 0.07 -0.17 0.00 0.00 175.17 176.35 3i5y h LYS 115 N 0.44 0.89 -0.10 4.34 2.10 -1.99 -2.45 116.57 119.80 3i5y h LYS 115 Ca -0.46 -0.05 -0.12 0.00 -2.00 0.00 0.00 60.65 58.01 3i5y h LYS 115 Cb 1.19 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 3i5y h LYS 115 CO 0.62 0.59 -0.49 0.93 -2.00 0.00 0.00 179.45 179.10 3i5y h GLU 116 N 0.92 0.25 0.15 0.07 4.39 -1.99 -1.37 114.58 117.00 3i5y h GLU 116 Ca 0.47 -0.14 -0.30 0.00 0.34 0.00 0.00 59.36 59.72 3i5y h GLU 116 Cb 0.51 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3i5y h GLU 116 CO -0.23 0.69 -1.44 0.97 -1.16 0.00 0.00 179.01 177.84 3i5y h ILE 117 N 0.20 1.28 -0.89 3.13 6.09 -1.91 -3.00 117.51 122.40 3i5y h ILE 117 Ca 0.01 -2.85 0.09 0.00 -1.37 0.00 0.00 64.86 60.74 3i5y h ILE 117 Cb 0.94 2.88 -0.06 0.00 0.47 0.00 0.00 36.82 41.05 3i5y h ILE 117 CO 0.08 0.85 0.58 -0.74 -3.07 0.00 0.00 178.15 175.84 3i5y h HIS 118 N 0.09 0.97 -0.49 2.19 2.76 -1.38 -2.64 115.15 116.65 3i5y h HIS 118 Ca -0.22 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 57.88 3i5y h HIS 118 Cb 2.04 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 30.67 3i5y h HIS 118 CO 0.08 0.46 -0.08 -0.22 -1.30 0.00 0.00 177.93 176.87 3i5y h LYS 119 N 0.92 0.91 -0.22 5.26 3.64 -1.26 -1.82 116.57 124.00 3i5y h LYS 119 Ca 0.41 -0.34 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3i5y h LYS 119 Cb 0.36 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3i5y h LYS 119 CO -0.17 0.99 -0.42 0.00 -2.27 0.00 0.00 179.45 177.58 3i5y h ALA 120 N 0.90 0.87 0.07 5.00 0.00 -1.33 -2.85 119.26 121.91 3i5y h ALA 120 Ca 0.13 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 3i5y h ALA 120 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3i5y h ALA 120 CO 0.04 0.64 -1.60 0.82 0.00 0.00 0.00 179.25 179.15 3i5y h ILE 121 N 0.42 1.03 -0.80 0.00 1.08 -1.51 -3.33 117.51 114.41 3i5y h ILE 121 Ca 0.03 -2.76 -0.02 0.00 -0.39 0.00 0.00 64.86 61.73 3i5y h ILE 121 Cb 0.91 2.62 -0.04 0.00 -3.07 0.00 0.00 36.82 37.25 3i5y h ILE 121 CO 0.08 0.74 0.43 0.74 -0.69 0.00 0.00 178.15 179.45 3i5y h THR 122 N 0.04 1.24 0.00 -0.27 2.02 -1.37 -2.65 112.91 111.91 3i5y h THR 122 Ca -0.26 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.31 3i5y h THR 122 Cb 1.99 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 3i5y h THR 122 CO 0.12 0.27 0.00 0.03 0.37 0.00 0.00 175.52 176.31 3i5y h ARG 123 N 1.12 0.00 0.00 6.66 3.08 -1.61 -1.14 114.38 122.49 3i5y h ARG 123 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3i5y h ARG 123 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i5y h ARG 123 CO -0.04 0.00 0.00 0.52 -1.07 0.00 0.00 179.97 179.38 3i5y h MET 124 N 0.00 0.00 -5.44 0.04 2.86 -1.59 -3.48 114.93 107.32 3i5y h MET 124 Ca 0.00 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.33 3i5y h MET 124 Cb 0.12 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.93 3i5y h MET 124 CO 0.00 0.00 -0.72 0.39 1.06 0.00 0.00 176.91 177.64 3i5y n GLU 125 N -2.50 -6.30 -3.06 1.72 4.71 -0.43 -5.01 120.64 109.76 3i5y n GLU 125 Ca 0.03 0.80 -0.39 0.00 -0.01 0.00 0.00 57.16 57.59 3i5y n GLU 125 Cb 0.34 -5.67 -0.06 0.00 -1.01 0.00 0.00 31.44 25.04 3i5y n GLU 125 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3i5y s PHE 126 N -3.34 3.82 0.28 -0.32 0.08 -1.26 -4.98 117.98 112.26 3i5y s PHE 126 Ca 0.03 1.48 -0.03 0.00 0.12 0.00 0.00 56.93 58.52 3i5y s PHE 126 Cb -0.01 -2.71 0.57 0.00 -0.57 0.00 0.00 43.02 40.30 3i5y s PHE 126 CO 0.69 0.45 1.60 -1.35 -0.10 0.00 0.00 175.22 176.50 3i5y h PRO 127 N 4.87 0.05 0.00 0.24 0.11 -2.00 -3.45 132.00 131.82 3i5y h PRO 127 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3i5y h PRO 127 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i5y h PRO 127 CO 0.67 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 3i5y n GLY 128 N -1.48 2.54 3.83 -0.55 0.00 -1.26 -5.15 105.19 103.12 3i5y n GLY 128 Ca 0.18 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 3i5y n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i5y s LEU 129 N 0.00 4.41 0.91 0.99 1.43 -1.26 -5.08 118.68 120.07 3i5y s LEU 129 Ca 0.00 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.20 3i5y s LEU 129 Cb 0.00 -3.19 0.13 0.00 0.03 0.00 0.00 46.19 43.16 3i5y s LEU 129 CO 0.00 0.15 1.09 0.42 0.23 0.00 0.00 176.35 178.24 3i5y s THR 130 N -1.35 2.61 0.20 5.49 -4.23 -1.26 -4.69 115.64 112.41 3i5y s THR 130 Ca 0.36 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.96 3i5y s THR 130 Cb -0.17 -2.67 0.12 0.00 1.34 0.00 0.00 72.50 71.12 3i5y s THR 130 CO 0.19 -0.26 1.77 -0.65 -0.54 0.00 0.00 174.62 175.14 3i5y h PRO 131 N -1.59 0.47 -0.60 3.99 0.11 -1.98 0.92 132.00 133.32 3i5y h PRO 131 Ca -0.50 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 3i5y h PRO 131 Cb 1.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3i5y h PRO 131 CO 0.54 0.31 0.06 -0.24 -0.21 0.00 0.00 178.00 178.47 3i5y h VAL 132 N 0.49 1.26 -0.38 3.15 3.04 -1.93 -1.57 116.25 120.31 3i5y h VAL 132 Ca 0.27 -1.05 0.01 0.00 -1.01 0.00 0.00 66.70 64.92 3i5y h VAL 132 Cb 0.25 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 3i5y h VAL 132 CO -0.23 0.39 0.23 1.56 -1.01 0.00 0.00 177.57 178.51 3i5y h GLN 133 N 0.92 0.45 -0.89 4.17 4.20 -1.69 -1.46 115.11 120.82 3i5y h GLN 133 Ca 0.18 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3i5y h GLN 133 Cb 0.47 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3i5y h GLN 133 CO 0.02 0.30 0.52 1.96 -0.67 0.00 0.00 178.83 180.96 3i5y h GLN 134 N 0.47 1.22 0.00 1.46 4.20 -0.65 -2.95 115.11 118.86 3i5y h GLN 134 Ca 0.15 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 3i5y h GLN 134 Cb -0.01 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3i5y h GLN 134 CO -0.06 0.88 -0.55 -0.22 -0.67 0.00 0.00 178.83 178.20 3i5y h LYS 135 N 1.24 0.00 0.00 1.46 3.64 -0.98 -3.38 116.57 118.54 3i5y h LYS 135 Ca 0.32 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.44 3i5y h LYS 135 Cb -0.02 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3i5y h LYS 135 CO -0.06 0.55 -2.09 0.25 -2.27 0.00 0.00 179.45 175.84 3i5y n THR 136 N -3.30 0.98 -0.06 1.00 -2.24 -0.58 -4.58 114.28 105.50 3i5y n THR 136 Ca 0.01 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 3i5y n THR 136 Cb 0.72 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 3i5y n THR 136 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3i5y h ILE 137 N 0.00 1.10 0.05 2.28 2.04 -1.70 -0.12 117.51 121.15 3i5y h ILE 137 Ca -0.39 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3i5y h ILE 137 Cb 1.85 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3i5y h ILE 137 CO 0.02 0.09 -0.02 0.50 0.00 0.00 0.00 178.15 178.74 3i5y h LYS 138 N 0.27 -0.06 -0.52 2.37 3.64 -1.84 -2.78 116.57 117.64 3i5y h LYS 138 Ca 0.08 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3i5y h LYS 138 Cb 0.04 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 3i5y h LYS 138 CO -0.01 0.38 0.11 -1.35 -2.27 0.00 0.00 179.45 176.31 3i5y h PRO 139 N -0.53 0.24 -1.00 1.90 0.11 -1.79 0.22 132.00 131.15 3i5y h PRO 139 Ca -0.01 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.20 3i5y h PRO 139 Cb 0.47 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.45 3i5y h PRO 139 CO 0.01 0.16 0.63 0.82 -0.21 0.00 0.00 178.00 179.41 3i5y h ILE 140 N 0.25 0.94 0.00 4.15 2.04 -1.03 -1.46 117.51 122.40 3i5y h ILE 140 Ca 0.27 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3i5y h ILE 140 Cb 0.36 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3i5y h ILE 140 CO -0.34 0.18 -0.29 0.18 0.00 0.00 0.00 178.15 177.88 3i5y n LEU 141 N -4.59 0.60 -4.69 1.44 4.77 -0.69 -4.92 117.00 108.92 3i5y n LEU 141 Ca 0.18 0.36 -0.44 0.00 -0.03 0.00 0.00 56.01 56.09 3i5y n LEU 141 Cb 0.33 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3i5y n LEU 141 CO 0.28 -0.07 1.05 -0.24 -1.33 0.00 0.00 177.39 177.08 3i5y n SER 142 N -1.99 3.00 0.00 -1.43 2.88 0.67 -4.86 113.62 111.90 3i5y n SER 142 Ca 0.05 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.85 3i5y n SER 142 Cb 0.41 -1.47 0.65 0.00 -0.75 0.00 0.00 64.21 63.04 3i5y n SER 142 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3i5y n SER 143 N 1.92 0.00 -4.77 -3.46 3.41 -1.26 -4.73 113.62 104.73 3i5y n SER 143 Ca 0.10 -0.77 -0.40 0.00 -0.26 0.00 0.00 58.87 57.54 3i5y n SER 143 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3i5y n SER 143 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i5y s GLU 144 N -2.00 3.95 -1.25 4.33 2.02 -1.26 -4.92 118.70 119.57 3i5y s GLU 144 Ca 0.33 2.36 -0.12 0.00 0.02 0.00 0.00 54.97 57.56 3i5y s GLU 144 Cb 0.15 -2.81 0.16 0.00 0.10 0.00 0.00 34.13 31.73 3i5y s GLU 144 CO 0.25 -0.58 1.63 -3.47 0.02 0.00 0.00 175.26 173.11 3i5y n ASP 145 N 0.18 5.13 -4.05 -0.19 2.03 -1.26 -4.93 116.55 113.45 3i5y n ASP 145 Ca 0.03 -3.02 -0.10 0.00 0.52 0.00 0.00 54.79 52.22 3i5y n ASP 145 Cb 0.42 -1.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.16 3i5y n ASP 145 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3i5y s HIS 146 N 1.32 0.51 0.59 -0.67 -3.43 -1.26 -4.09 115.29 108.26 3i5y s HIS 146 Ca 0.42 -0.69 -0.03 0.00 -0.80 0.00 0.00 55.06 53.96 3i5y s HIS 146 Cb 0.02 -0.34 0.03 0.00 -1.43 0.00 0.00 32.58 30.87 3i5y s HIS 146 CO 0.01 -0.19 0.87 -0.51 -2.00 0.00 0.00 174.74 172.91 3i5y s ASP 147 N -2.02 5.33 -0.06 7.38 1.01 -0.72 -4.75 116.67 122.85 3i5y s ASP 147 Ca -0.06 0.40 0.01 0.00 0.71 0.00 0.00 52.55 53.62 3i5y s ASP 147 Cb -0.04 -1.31 0.02 0.00 1.01 0.00 0.00 42.92 42.59 3i5y s ASP 147 CO -0.03 -1.18 -0.08 -0.69 0.21 0.00 0.00 175.17 173.40 3i5y s VAL 148 N -2.94 0.80 -0.03 -1.27 1.01 -0.68 -1.28 120.40 116.01 3i5y s VAL 148 Ca 0.56 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3i5y s VAL 148 Cb -0.10 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3i5y s VAL 148 CO 0.42 0.29 -0.09 -0.63 0.00 0.00 0.00 175.10 175.09 3i5y s ILE 149 N 0.86 3.48 -0.07 2.22 1.01 0.77 -1.16 121.20 128.31 3i5y s ILE 149 Ca -0.12 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 3i5y s ILE 149 Cb -0.15 -2.45 0.04 0.00 0.01 0.00 0.00 42.46 39.91 3i5y s ILE 149 CO 0.01 0.50 0.16 0.00 0.00 0.00 0.00 174.94 175.61 3i5y s ALA 150 N -0.87 -0.26 -0.17 9.38 0.00 -0.18 0.27 121.76 129.92 3i5y s ALA 150 Ca 0.14 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 3i5y s ALA 150 Cb -0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 3i5y s ALA 150 CO 0.04 -0.27 -0.13 0.50 0.00 0.00 0.00 175.76 175.90 3i5y s ARG 151 N 1.48 3.25 0.07 0.00 3.52 -0.97 -2.63 118.95 123.67 3i5y s ARG 151 Ca -0.06 -0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 54.75 3i5y s ARG 151 Cb -0.12 -2.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.56 3i5y s ARG 151 CO -0.06 -0.03 0.16 0.00 -0.81 0.00 0.00 175.30 174.55 3i5y s ALA 152 N 0.96 -0.16 0.76 6.12 0.00 -1.14 -1.83 121.76 126.47 3i5y s ALA 152 Ca -0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 3i5y s ALA 152 Cb -0.15 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.40 3i5y s ALA 152 CO -0.02 -0.44 1.08 0.15 0.00 0.00 0.00 175.76 176.54 3i5y s LYS 153 N -3.41 2.42 0.09 0.00 1.02 -1.26 -3.62 119.74 114.99 3i5y s LYS 153 Ca 0.02 0.93 -0.35 0.00 0.02 0.00 0.00 55.97 56.59 3i5y s LYS 153 Cb 0.03 -1.93 -0.14 0.00 -0.52 0.00 0.00 37.83 35.27 3i5y s LYS 153 CO -0.08 -1.46 1.58 0.25 -0.92 0.00 0.00 175.35 174.72 3i5y n THR 154 N -3.37 0.09 -0.32 2.17 -2.24 -1.26 -2.96 114.28 106.39 3i5y n THR 154 Ca 0.08 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3i5y n THR 154 Cb 0.54 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 3i5y n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5y n GLY 155 N 3.41 0.82 1.20 3.38 0.00 -1.26 -4.85 105.19 107.89 3i5y n GLY 155 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3i5y n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i5y n THR 156 N -2.30 2.49 -1.39 2.61 -2.24 -1.16 -1.87 114.28 110.42 3i5y n THR 156 Ca 0.00 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 3i5y n THR 156 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 3i5y n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5y n GLY 157 N -0.52 0.65 0.42 3.38 0.00 -1.26 -4.65 105.19 103.20 3i5y n GLY 157 Ca 0.28 -0.76 0.23 0.00 0.00 0.00 0.00 46.02 45.77 3i5y n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5y h LYS 158 N 0.00 0.28 0.34 1.61 1.57 -1.92 -2.35 116.57 116.10 3i5y h LYS 158 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i5y h LYS 158 Cb 0.59 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3i5y h LYS 158 CO 0.00 0.19 -0.48 1.15 -0.57 0.00 0.00 179.45 179.74 3i5y h THR 159 N 0.29 0.07 0.00 -0.16 2.02 -2.01 -1.67 112.91 111.44 3i5y h THR 159 Ca 0.48 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.65 3i5y h THR 159 Cb 1.39 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3i5y h THR 159 CO -0.15 0.00 -0.06 -0.26 0.37 0.00 0.00 175.52 175.42 3i5y h PHE 160 N -0.87 0.00 -0.51 3.16 0.04 -1.92 -1.04 116.94 115.80 3i5y h PHE 160 Ca -0.03 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.89 3i5y h PHE 160 Cb 0.80 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 3i5y h PHE 160 CO -0.31 0.06 0.42 0.00 -0.60 0.00 0.00 178.31 177.89 3i5y h ALA 161 N 1.94 2.36 0.00 2.45 0.00 -0.77 -2.20 119.26 123.03 3i5y h ALA 161 Ca -0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3i5y h ALA 161 Cb 0.55 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3i5y h ALA 161 CO 0.01 -0.69 -1.79 1.97 0.00 0.00 0.00 179.25 178.75 3i5y n PHE 162 N -4.09 0.00 0.07 0.00 1.16 -0.60 -4.55 117.46 109.45 3i5y n PHE 162 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.65 3i5y n PHE 162 Cb 0.64 -0.56 0.22 0.00 -1.61 0.00 0.00 39.48 38.17 3i5y n PHE 162 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3i5y h LEU 163 N 0.00 0.32 0.15 5.98 3.38 -1.19 -2.36 115.31 121.59 3i5y h LEU 163 Ca -0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3i5y h LEU 163 Cb 1.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3i5y h LEU 163 CO 0.02 0.67 -0.07 0.40 0.09 0.00 0.00 178.44 179.54 3i5y h ILE 164 N 0.27 0.98 -0.19 1.22 2.04 -1.66 -1.82 117.51 118.35 3i5y h ILE 164 Ca 0.03 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3i5y h ILE 164 Cb 0.77 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3i5y h ILE 164 CO 0.06 0.15 -0.05 1.55 0.00 0.00 0.00 178.15 179.87 3i5y h PRO 165 N -0.53 0.28 -0.09 2.37 0.13 -1.78 -2.50 132.00 129.88 3i5y h PRO 165 Ca -0.02 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3i5y h PRO 165 Cb 0.41 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 3i5y h PRO 165 CO 0.03 0.35 0.03 0.82 -0.23 0.00 0.00 178.00 179.00 3i5y h ILE 166 N 0.27 1.17 -0.69 -3.56 2.04 -1.31 -2.13 117.51 113.30 3i5y h ILE 166 Ca 0.06 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.48 3i5y h ILE 166 Cb 0.27 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 3i5y h ILE 166 CO 0.01 0.15 0.37 -0.26 0.00 0.00 0.00 178.15 178.42 3i5y h PHE 167 N -0.04 0.67 -0.84 1.37 0.04 -1.18 -1.80 116.94 115.16 3i5y h PHE 167 Ca 0.03 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.87 3i5y h PHE 167 Cb 0.21 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 3i5y h PHE 167 CO -0.00 0.29 0.53 0.37 -0.60 0.00 0.00 178.31 178.90 3i5y h GLN 168 N 0.66 0.98 -0.43 1.51 5.75 -1.26 -0.93 115.11 121.39 3i5y h GLN 168 Ca 0.32 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.69 3i5y h GLN 168 Cb 0.26 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3i5y h GLN 168 CO -0.21 0.65 -0.02 1.25 -2.65 0.00 0.00 178.83 177.84 3i5y h HIS 169 N 1.01 0.75 -0.21 3.99 2.76 -0.70 0.21 115.15 122.96 3i5y h HIS 169 Ca 0.35 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 3i5y h HIS 169 Cb 0.08 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3i5y h HIS 169 CO -0.03 0.72 -0.20 -0.07 -1.30 0.00 0.00 177.93 177.05 3i5y h LEU 170 N 0.66 0.36 0.14 0.26 3.38 -0.50 -2.11 115.31 117.50 3i5y h LEU 170 Ca 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3i5y h LEU 170 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i5y h LEU 170 CO 0.02 0.58 -0.07 0.40 0.09 0.00 0.00 178.44 179.46 3i5y h ILE 171 N 0.34 0.93 -1.00 1.22 2.04 -0.50 -2.27 117.51 118.28 3i5y h ILE 171 Ca 0.06 -1.17 0.35 0.00 1.00 0.00 0.00 64.86 65.10 3i5y h ILE 171 Cb 0.54 1.56 -0.16 0.00 -0.74 0.00 0.00 36.82 38.02 3i5y h ILE 171 CO 0.04 0.24 0.53 0.78 0.00 0.00 0.00 178.15 179.73 3i5y h ASN 172 N -0.83 0.39 -0.44 1.72 2.35 -0.55 -1.77 115.58 116.45 3i5y h ASN 172 Ca -0.02 0.22 -0.29 0.00 -0.55 0.00 0.00 56.30 55.66 3i5y h ASN 172 Cb 0.54 0.20 -0.19 0.00 0.05 0.00 0.00 38.32 38.92 3i5y h ASN 172 CO 0.03 -0.25 -0.32 0.35 -1.65 0.00 0.00 177.43 175.59 3i5y n THR 173 N -5.15 2.56 0.10 2.81 -2.24 -0.80 -4.86 114.28 106.70 3i5y n THR 173 Ca 0.33 -3.33 0.05 0.00 -2.27 0.00 0.00 64.05 58.84 3i5y n THR 173 Cb 1.07 -0.61 0.50 0.00 -2.10 0.00 0.00 70.33 69.19 3i5y n THR 173 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3i5y h LYS 174 N 1.43 0.34 0.00 -0.78 2.10 -0.69 -2.35 116.57 116.62 3i5y h LYS 174 Ca 0.25 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3i5y h LYS 174 Cb 1.40 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3i5y h LYS 174 CO 0.51 0.23 -0.33 1.19 -2.00 0.00 0.00 179.45 179.05 3i5y n PHE 175 N -4.49 0.07 -3.59 0.07 3.72 -1.26 -4.52 117.46 107.46 3i5y n PHE 175 Ca 0.01 0.02 -0.37 0.00 -0.05 0.00 0.00 57.45 57.05 3i5y n PHE 175 Cb 0.07 -0.38 -0.10 0.00 -0.94 0.00 0.00 39.48 38.13 3i5y n PHE 175 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i5y s ASP 176 N -3.13 6.14 -1.43 4.37 1.01 -0.89 -4.53 116.67 118.20 3i5y s ASP 176 Ca 0.12 0.14 -0.08 0.00 0.71 0.00 0.00 52.55 53.43 3i5y s ASP 176 Cb 0.18 -2.13 0.05 0.00 1.01 0.00 0.00 42.92 42.02 3i5y s ASP 176 CO 0.64 -0.00 0.92 -1.20 0.21 0.00 0.00 175.17 175.74 3i5y n SER 177 N 4.60 -3.72 0.23 0.27 7.64 -1.26 -4.84 113.62 116.54 3i5y n SER 177 Ca -0.13 -0.76 0.16 0.00 1.01 0.00 0.00 58.87 59.14 3i5y n SER 177 Cb 0.52 -4.10 0.76 0.00 -1.01 0.00 0.00 64.21 60.38 3i5y n SER 177 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 3i5y h GLN 178 N -2.08 0.00 -0.60 1.43 -0.00 -1.79 -0.75 115.11 111.31 3i5y h GLN 178 Ca -0.59 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.06 3i5y h GLN 178 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.85 3i5y h GLN 178 CO 0.62 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 180.11 3i5y n TYR 179 N -2.69 1.97 -4.74 0.06 4.01 -1.26 -4.81 117.16 109.69 3i5y n TYR 179 Ca -0.00 -0.69 -0.30 0.00 -0.16 0.00 0.00 57.90 56.75 3i5y n TYR 179 Cb 0.16 -0.48 -0.14 0.00 -0.31 0.00 0.00 39.34 38.57 3i5y n TYR 179 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3i5y s MET 180 N -2.63 1.72 -0.12 -0.72 -1.94 -0.29 -4.69 119.30 110.63 3i5y s MET 180 Ca 0.52 -1.17 -0.29 0.00 -1.71 0.00 0.00 55.69 53.04 3i5y s MET 180 Cb 0.39 -1.98 -0.05 0.00 2.01 0.00 0.00 34.83 35.21 3i5y s MET 180 CO 0.16 0.50 1.74 0.08 -0.01 0.00 0.00 175.02 177.49 3i5y s VAL 181 N -0.89 3.49 -0.17 -6.03 1.01 -0.88 -4.22 120.40 112.71 3i5y s VAL 181 Ca 0.13 0.57 0.16 0.00 0.00 0.00 0.00 61.98 62.84 3i5y s VAL 181 Cb -0.10 -3.44 -0.24 0.00 0.00 0.00 0.00 36.38 32.60 3i5y s VAL 181 CO 0.03 -0.13 0.42 0.29 0.00 0.00 0.00 175.10 175.71 3i5y n LYS 182 N 7.54 0.74 -3.94 2.72 5.02 -0.10 -2.99 118.16 127.15 3i5y n LYS 182 Ca 0.19 -0.12 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 3i5y n LYS 182 Cb 0.44 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.92 3i5y n LYS 182 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5y s ALA 183 N -3.02 0.43 -0.24 7.82 0.00 -0.77 -0.84 121.76 125.15 3i5y s ALA 183 Ca -0.04 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.03 3i5y s ALA 183 Cb 0.11 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.86 3i5y s ALA 183 CO 0.68 -0.14 -0.13 0.08 0.00 0.00 0.00 175.76 176.24 3i5y s VAL 184 N 1.20 2.11 -0.24 0.00 1.01 -0.43 -1.09 120.40 122.95 3i5y s VAL 184 Ca -0.07 -1.42 -0.10 0.00 0.00 0.00 0.00 61.98 60.39 3i5y s VAL 184 Cb -0.13 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3i5y s VAL 184 CO -0.02 0.13 0.14 -0.63 0.00 0.00 0.00 175.10 174.73 3i5y s ILE 185 N 1.17 5.15 -0.01 2.22 1.01 -0.10 -0.56 121.20 130.08 3i5y s ILE 185 Ca -0.05 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.74 3i5y s ILE 185 Cb -0.18 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3i5y s ILE 185 CO -0.07 0.34 -0.08 -0.69 0.00 0.00 0.00 174.94 174.43 3i5y s VAL 186 N 1.21 3.52 0.04 2.92 1.01 0.47 -0.37 120.40 129.20 3i5y s VAL 186 Ca 0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3i5y s VAL 186 Cb -0.14 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3i5y s VAL 186 CO 0.05 0.44 -0.02 0.00 0.00 0.00 0.00 175.10 175.58 3i5y s ALA 187 N -0.94 0.38 -0.30 5.51 0.00 -0.31 -2.12 121.76 123.98 3i5y s ALA 187 Ca 0.16 -1.03 0.27 0.00 0.00 0.00 0.00 51.96 51.36 3i5y s ALA 187 Cb -0.11 0.25 0.77 0.00 0.00 0.00 0.00 23.12 24.03 3i5y s ALA 187 CO 0.06 -0.33 1.76 -1.00 0.00 0.00 0.00 175.76 176.25 3i5y h PRO 188 N 3.48 0.00 -5.18 0.00 0.13 -1.88 -3.38 132.00 125.17 3i5y h PRO 188 Ca -0.33 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.43 3i5y h PRO 188 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 3i5y h PRO 188 CO 0.60 0.00 -0.74 0.95 -0.23 0.00 0.00 178.00 178.58 3i5y s THR 189 N -3.35 1.17 0.08 1.56 -4.23 -1.26 -4.97 115.64 104.64 3i5y s THR 189 Ca 0.05 -1.78 -0.19 0.00 -1.18 0.00 0.00 61.69 58.59 3i5y s THR 189 Cb 0.07 -1.56 -0.09 0.00 1.34 0.00 0.00 72.50 72.27 3i5y s THR 189 CO 0.60 -0.55 1.53 0.03 -0.54 0.00 0.00 174.62 175.69 3i5y h ARG 190 N 3.34 0.41 0.00 3.99 3.08 -1.95 -2.31 114.38 120.94 3i5y h ARG 190 Ca -0.38 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 3i5y h ARG 190 Cb 1.19 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 3i5y h ARG 190 CO 0.55 0.58 -0.06 -0.44 -1.07 0.00 0.00 179.97 179.52 3i5y h ASP 191 N 0.19 0.00 0.62 7.04 3.32 -1.97 0.18 116.42 125.81 3i5y h ASP 191 Ca 0.07 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.87 3i5y h ASP 191 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3i5y h ASP 191 CO 0.01 0.06 -1.13 0.25 -1.72 0.00 0.00 179.24 176.71 3i5y h LEU 192 N 0.00 0.38 -0.42 1.55 5.85 -1.84 -1.42 115.31 119.40 3i5y h LEU 192 Ca -0.00 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3i5y h LEU 192 Cb 0.13 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3i5y h LEU 192 CO 0.01 1.26 0.23 0.00 -0.34 0.00 0.00 178.44 179.60 3i5y h ALA 193 N 0.69 0.54 0.00 1.25 0.00 -0.63 -1.62 119.26 119.50 3i5y h ALA 193 Ca -0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3i5y h ALA 193 Cb 1.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3i5y h ALA 193 CO 0.18 0.07 -0.39 -0.07 0.00 0.00 0.00 179.25 179.05 3i5y h LEU 194 N 0.55 0.00 -0.47 0.00 3.38 -0.72 -2.19 115.31 115.87 3i5y h LEU 194 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3i5y h LEU 194 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3i5y h LEU 194 CO -0.02 0.39 -0.33 -0.61 0.09 0.00 0.00 178.44 177.95 3i5y h GLN 195 N 0.00 0.91 -0.17 1.13 4.15 -0.94 -2.45 115.11 117.74 3i5y h GLN 195 Ca -0.00 -0.44 -0.06 0.00 0.77 0.00 0.00 58.65 58.91 3i5y h GLN 195 Cb 0.75 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 3i5y h GLN 195 CO 0.05 1.10 -0.12 0.82 -1.93 0.00 0.00 178.83 178.75 3i5y h ILE 196 N 0.75 1.33 -0.78 2.39 2.04 -1.01 -1.96 117.51 120.27 3i5y h ILE 196 Ca 0.07 -1.23 0.17 0.00 1.00 0.00 0.00 64.86 64.88 3i5y h ILE 196 Cb 0.91 1.77 -0.11 0.00 -0.74 0.00 0.00 36.82 38.65 3i5y h ILE 196 CO 0.08 0.36 0.25 -0.08 0.00 0.00 0.00 178.15 178.76 3i5y h GLU 197 N 0.04 0.32 -0.97 2.37 4.81 -1.46 -0.47 114.58 119.21 3i5y h GLU 197 Ca 0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3i5y h GLU 197 Cb 0.63 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3i5y h GLU 197 CO 0.03 0.21 0.61 0.00 -0.73 0.00 0.00 179.01 179.13 3i5y h ALA 198 N 1.63 1.23 -0.35 2.92 0.00 -0.91 0.13 119.26 123.92 3i5y h ALA 198 Ca 0.45 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3i5y h ALA 198 Cb 0.78 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i5y h ALA 198 CO -0.50 0.66 -0.05 0.93 0.00 0.00 0.00 179.25 180.28 3i5y h GLU 199 N 1.33 0.65 -0.97 0.00 4.39 -0.49 -0.19 114.58 119.30 3i5y h GLU 199 Ca 0.35 -0.23 0.11 0.00 0.34 0.00 0.00 59.36 59.93 3i5y h GLU 199 Cb -0.10 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.42 3i5y h GLU 199 CO -0.07 0.79 0.60 0.28 -1.16 0.00 0.00 179.01 179.45 3i5y h VAL 200 N 0.44 0.93 -0.12 3.13 2.07 -0.32 -1.07 116.25 121.32 3i5y h VAL 200 Ca 0.09 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3i5y h VAL 200 Cb 0.54 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3i5y h VAL 200 CO 0.03 0.18 -0.29 0.11 0.02 0.00 0.00 177.57 177.61 3i5y h LYS 201 N 0.97 0.23 -0.55 1.57 1.57 -0.09 -2.04 116.57 118.23 3i5y h LYS 201 Ca 0.47 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.11 3i5y h LYS 201 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3i5y h LYS 201 CO -0.25 0.51 0.11 0.87 -0.57 0.00 0.00 179.45 180.11 3i5y h LYS 202 N 0.20 0.87 -0.57 3.15 1.57 0.15 -1.20 116.57 120.74 3i5y h LYS 202 Ca 0.03 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3i5y h LYS 202 Cb 0.63 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3i5y h LYS 202 CO 0.05 0.80 0.22 0.82 -0.57 0.00 0.00 179.45 180.76 3i5y h ILE 203 N 0.83 1.23 -0.76 1.86 2.04 -0.93 -2.75 117.51 119.02 3i5y h ILE 203 Ca 0.18 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3i5y h ILE 203 Cb 0.34 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3i5y h ILE 203 CO 0.00 0.28 0.47 0.45 0.00 0.00 0.00 178.15 179.35 3i5y h HIS 204 N 0.78 0.89 0.00 1.37 3.86 -1.00 -2.96 115.15 118.09 3i5y h HIS 204 Ca 0.19 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3i5y h HIS 204 Cb 0.22 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3i5y h HIS 204 CO 0.01 0.49 0.00 -0.44 0.86 0.00 0.00 177.93 178.85 3i5y h ASP 205 N 0.91 0.00 0.39 2.45 3.32 -1.09 -2.37 116.42 120.04 3i5y h ASP 205 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3i5y h ASP 205 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3i5y h ASP 205 CO -0.12 0.00 -0.17 0.23 -1.72 0.00 0.00 179.24 177.46 3i5y n MET 206 N -2.95 0.62 -3.14 3.56 2.81 -1.05 -4.67 117.12 112.30 3i5y n MET 206 Ca 0.03 -0.26 0.03 0.00 -1.81 0.00 0.00 57.70 55.69 3i5y n MET 206 Cb 0.45 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.46 3i5y n MET 206 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3i5y s ASN 207 N -2.56 -1.35 0.48 7.83 3.84 -0.90 -4.44 114.94 117.84 3i5y s ASN 207 Ca 0.25 -0.26 0.27 0.00 0.21 0.00 0.00 52.86 53.32 3i5y s ASN 207 Cb 0.20 1.78 1.45 0.00 -0.55 0.00 0.00 41.25 44.12 3i5y s ASN 207 CO 0.51 -0.20 1.79 1.88 -2.79 0.00 0.00 177.10 178.29 3i5y h TYR 208 N 7.26 0.00 0.00 0.43 0.05 -1.80 -0.08 116.97 122.82 3i5y h TYR 208 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3i5y h TYR 208 Cb 1.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 3i5y h TYR 208 CO 0.14 0.00 -0.20 0.78 -1.05 0.00 0.00 178.16 177.83 3i5y h GLY 209 N 0.00 0.00 1.12 3.88 0.00 -1.96 -2.94 103.07 103.17 3i5y h GLY 209 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i5y h GLY 209 CO 0.00 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 177.39 3i5y n LEU 210 N -4.02 0.42 0.19 3.11 4.77 -0.04 -4.04 117.00 117.38 3i5y n LEU 210 Ca -0.02 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3i5y n LEU 210 Cb 0.28 -0.26 0.66 0.00 -2.33 0.00 0.00 43.42 41.76 3i5y n LEU 210 CO 0.35 0.09 1.10 0.11 -1.33 0.00 0.00 177.39 177.70 3i5y h LYS 211 N 0.35 0.00 -0.32 3.23 1.57 -1.65 -1.72 116.57 118.02 3i5y h LYS 211 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3i5y h LYS 211 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3i5y h LYS 211 CO 0.00 0.00 0.28 1.57 -0.57 0.00 0.00 179.45 180.73 3i5y h LYS 212 N 0.00 0.00 -4.84 3.15 2.10 -1.80 -3.20 116.57 111.98 3i5y h LYS 212 Ca 0.07 0.00 -0.72 0.00 -2.00 0.00 0.00 60.65 58.00 3i5y h LYS 212 Cb 0.29 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.49 3i5y h LYS 212 CO -0.00 0.00 1.87 0.66 -2.00 0.00 0.00 179.45 179.98 3i5y n TYR 213 N -4.11 4.47 -1.47 0.07 4.01 -0.65 -4.88 117.16 114.60 3i5y n TYR 213 Ca 0.05 -3.09 -0.30 0.00 -0.16 0.00 0.00 57.90 54.40 3i5y n TYR 213 Cb 0.44 -2.32 0.10 0.00 -0.31 0.00 0.00 39.34 37.25 3i5y n TYR 213 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i5y s ALA 214 N 2.34 2.12 -0.04 -0.72 0.00 -1.21 -4.79 121.76 119.46 3i5y s ALA 214 Ca 0.46 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 3i5y s ALA 214 Cb 0.02 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 20.03 3i5y s ALA 214 CO 0.02 -1.83 0.10 0.00 0.00 0.00 0.00 175.76 174.04 3i5y s VAL 216 N 0.54 0.74 -0.19 0.00 1.01 -0.81 -4.99 120.40 116.70 3i5y s VAL 216 Ca -0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3i5y s VAL 216 Cb -0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3i5y s VAL 216 CO -0.02 0.21 0.09 -0.94 0.00 0.00 0.00 175.10 174.44 3i5y s SER 217 N -0.14 5.84 -0.37 3.32 1.04 -1.26 -1.51 113.70 120.63 3i5y s SER 217 Ca 0.02 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.59 3i5y s SER 217 Cb -0.04 -2.01 0.10 0.00 0.10 0.00 0.00 66.02 64.17 3i5y s SER 217 CO -0.00 0.17 0.11 -0.76 0.98 0.00 0.00 173.24 173.74 3i5y s LEU 218 N 0.38 4.91 0.07 2.42 1.43 0.41 -4.95 118.68 123.35 3i5y s LEU 218 Ca 0.05 -2.04 0.01 0.00 -1.03 0.00 0.00 54.13 51.12 3i5y s LEU 218 Cb -0.12 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3i5y s LEU 218 CO -0.01 -0.44 -0.06 0.68 0.23 0.00 0.00 176.35 176.75 3i5y s VAL 219 N 1.03 0.52 0.71 -1.59 -7.23 -1.26 -2.58 120.40 110.00 3i5y s VAL 219 Ca 0.08 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 3i5y s VAL 219 Cb -0.21 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.55 3i5y s VAL 219 CO -0.06 -0.71 1.09 -0.83 -0.31 0.00 0.00 175.10 174.28 3i5y s GLY 220 N -2.45 1.89 0.00 2.32 0.00 -1.26 -3.87 107.32 103.95 3i5y s GLY 220 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.11 3i5y s GLY 220 CO -0.04 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.39 3i5y n GLY 221 N -0.97 0.76 3.50 0.20 0.00 -1.26 -5.00 105.19 102.42 3i5y n GLY 221 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 3i5y n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i5y s THR 222 N -2.88 2.22 -0.09 2.61 -4.23 -1.25 -4.69 115.64 107.33 3i5y s THR 222 Ca 0.00 -2.25 -0.30 0.00 -1.18 0.00 0.00 61.69 57.96 3i5y s THR 222 Cb 0.00 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 3i5y s THR 222 CO 0.00 -0.28 1.55 -0.62 -0.54 0.00 0.00 174.62 174.73 3i5y s ASP 223 N -3.55 6.72 0.07 3.99 -1.08 -1.26 -4.91 116.67 116.65 3i5y s ASP 223 Ca 0.31 2.05 -0.24 0.00 -0.52 0.00 0.00 52.55 54.15 3i5y s ASP 223 Cb 0.00 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 38.77 3i5y s ASP 223 CO 0.15 -0.90 1.65 0.15 0.52 0.00 0.00 175.17 176.74 3i5y h PHE 224 N 9.27 -0.08 -0.72 -5.34 3.57 -1.98 -2.37 116.94 119.29 3i5y h PHE 224 Ca -0.36 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.20 3i5y h PHE 224 Cb 1.16 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 3i5y h PHE 224 CO 0.87 0.02 0.42 -0.09 -2.23 0.00 0.00 178.31 177.30 3i5y h ARG 225 N -0.16 0.75 -0.48 1.11 2.43 -1.99 -1.67 114.38 114.37 3i5y h ARG 225 Ca -0.01 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 3i5y h ARG 225 Cb 0.13 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3i5y h ARG 225 CO 0.01 0.50 -0.14 0.00 -1.51 0.00 0.00 179.97 178.83 3i5y h ALA 226 N 1.35 0.84 -0.44 2.80 0.00 -1.94 0.51 119.26 122.39 3i5y h ALA 226 Ca 0.31 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i5y h ALA 226 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i5y h ALA 226 CO -0.17 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.74 3i5y h ALA 227 N 1.02 1.19 -0.07 0.00 0.00 -1.12 -1.79 119.26 118.48 3i5y h ALA 227 Ca 0.12 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3i5y h ALA 227 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3i5y h ALA 227 CO 0.05 0.53 -0.73 1.98 0.00 0.00 0.00 179.25 181.08 3i5y h MET 228 N 0.67 0.39 -0.88 0.00 -1.53 -0.68 -0.35 114.93 112.56 3i5y h MET 228 Ca 0.14 -0.32 0.02 0.00 -3.44 0.00 0.00 59.70 56.10 3i5y h MET 228 Cb 0.40 0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.47 3i5y h MET 228 CO 0.01 0.96 0.58 -0.91 0.14 0.00 0.00 176.91 177.69 3i5y h ASN 229 N 0.26 0.99 -0.41 1.39 2.35 -0.74 -1.30 115.58 118.12 3i5y h ASN 229 Ca -0.03 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 3i5y h ASN 229 Cb 1.30 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 3i5y h ASN 229 CO 0.12 0.70 -0.07 0.50 -1.65 0.00 0.00 177.43 177.03 3i5y h LYS 230 N 1.16 0.85 -0.74 0.81 3.64 -0.87 0.51 116.57 121.92 3i5y h LYS 230 Ca 0.33 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3i5y h LYS 230 Cb -0.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3i5y h LYS 230 CO -0.09 0.90 0.33 0.52 -2.27 0.00 0.00 179.45 178.84 3i5y h MET 231 N 0.77 1.09 -0.20 1.90 2.86 -0.65 -1.41 114.93 119.30 3i5y h MET 231 Ca 0.13 -0.18 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 3i5y h MET 231 Cb 0.57 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3i5y h MET 231 CO 0.03 0.87 -0.47 -0.91 1.06 0.00 0.00 176.91 177.49 3i5y h ASN 232 N 1.06 0.76 -0.06 1.22 2.35 -0.95 -0.09 115.58 119.87 3i5y h ASN 232 Ca 0.25 -0.57 -0.24 0.00 -0.55 0.00 0.00 56.30 55.19 3i5y h ASN 232 Cb 0.16 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 38.33 3i5y h ASN 232 CO -0.03 1.19 -0.90 0.50 -1.65 0.00 0.00 177.43 176.54 3i5y h LYS 233 N 0.37 0.72 0.00 0.81 3.64 -0.90 -3.34 116.57 117.87 3i5y h LYS 233 Ca -0.00 -0.69 -0.22 0.00 -1.27 0.00 0.00 60.65 58.46 3i5y h LYS 233 Cb 1.09 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 3i5y h LYS 233 CO 0.10 1.28 -1.68 1.28 -2.27 0.00 0.00 179.45 178.17 3i5y n LEU 234 N -3.92 0.68 -3.68 5.20 4.77 -0.53 -5.02 117.00 114.50 3i5y n LEU 234 Ca -0.10 0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 3i5y n LEU 234 Cb 0.81 0.16 0.04 0.00 -2.33 0.00 0.00 43.42 42.10 3i5y n LEU 234 CO 0.54 0.26 -0.07 0.54 -1.33 0.00 0.00 177.39 177.33 3i5y n ARG 235 N -2.88 -1.16 -1.90 3.23 5.12 -0.05 -4.82 116.66 114.21 3i5y n ARG 235 Ca -0.15 0.51 -0.35 0.00 -1.93 0.00 0.00 57.85 55.94 3i5y n ARG 235 Cb 0.93 -3.95 0.04 0.00 -1.16 0.00 0.00 32.46 28.32 3i5y n ARG 235 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3i5y s PRO 236 N -5.83 2.87 0.02 5.56 0.04 -1.26 -4.46 135.00 131.94 3i5y s PRO 236 Ca 0.41 1.64 0.23 0.00 0.04 0.00 0.00 61.00 63.32 3i5y s PRO 236 Cb -0.16 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.60 3i5y s PRO 236 CO 0.87 -1.24 1.14 0.09 0.04 0.00 0.00 177.00 177.90 3i5y n ASN 237 N -1.96 0.66 -3.99 6.66 4.13 -0.69 -3.10 115.26 116.98 3i5y n ASN 237 Ca 0.12 -0.40 -0.24 0.00 1.68 0.00 0.00 54.58 55.74 3i5y n ASN 237 Cb 0.51 0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 39.22 3i5y n ASN 237 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i5y s ILE 238 N -3.08 1.03 -0.06 2.41 1.01 -0.84 -0.93 121.20 120.75 3i5y s ILE 238 Ca 0.07 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3i5y s ILE 238 Cb 0.16 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3i5y s ILE 238 CO 0.78 0.34 -0.21 -0.69 0.00 0.00 0.00 174.94 175.16 3i5y s VAL 239 N 0.85 2.42 -0.08 2.92 1.01 -0.25 -1.92 120.40 125.35 3i5y s VAL 239 Ca -0.11 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3i5y s VAL 239 Cb -0.15 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 3i5y s VAL 239 CO 0.02 0.57 -0.23 -0.63 0.00 0.00 0.00 175.10 174.83 3i5y s ILE 240 N -0.34 1.97 0.12 2.22 1.01 -0.57 -0.92 121.20 124.69 3i5y s ILE 240 Ca 0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 3i5y s ILE 240 Cb -0.12 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.66 3i5y s ILE 240 CO 0.02 0.54 0.30 0.00 0.00 0.00 0.00 174.94 175.80 3i5y s ALA 241 N 0.22 -0.49 0.11 9.38 0.00 0.50 -0.44 121.76 131.03 3i5y s ALA 241 Ca -0.14 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3i5y s ALA 241 Cb -0.17 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3i5y s ALA 241 CO 0.07 -0.59 0.20 0.95 0.00 0.00 0.00 175.76 176.39 3i5y s THR 242 N -3.85 5.10 0.12 0.00 -4.23 -1.07 -1.16 115.64 110.54 3i5y s THR 242 Ca 0.06 -0.65 -0.24 0.00 -1.18 0.00 0.00 61.69 59.68 3i5y s THR 242 Cb 0.03 -3.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 3i5y s THR 242 CO -0.10 0.03 1.66 -0.65 -0.54 0.00 0.00 174.62 175.02 3i5y h PRO 243 N 2.71 -0.27 -0.29 3.99 0.11 -1.91 -2.00 132.00 134.33 3i5y h PRO 243 Ca -0.47 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.72 3i5y h PRO 243 Cb 1.18 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 3i5y h PRO 243 CO 0.70 -0.18 -0.43 0.78 -0.21 0.00 0.00 178.00 178.66 3i5y h GLY 244 N -0.28 -0.63 1.99 -0.55 0.00 -1.96 -1.18 103.07 100.47 3i5y h GLY 244 Ca 0.06 0.54 -0.14 0.00 0.00 0.00 0.00 47.33 47.79 3i5y h GLY 244 CO -0.19 -0.20 -0.66 -0.09 0.00 0.00 0.00 176.54 175.40 3i5y h ARG 245 N -0.40 0.01 -0.64 4.80 9.65 -1.83 -2.52 114.38 123.45 3i5y h ARG 245 Ca 0.11 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.89 3i5y h ARG 245 Cb 0.60 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 3i5y h ARG 245 CO -0.50 0.67 0.04 1.25 2.80 0.00 0.00 179.97 184.23 3i5y h LEU 246 N 0.00 1.07 -0.11 3.80 5.85 -0.94 -1.76 115.31 123.22 3i5y h LEU 246 Ca -0.01 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3i5y h LEU 246 Cb 1.18 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3i5y h LEU 246 CO 0.09 1.09 0.04 0.40 -0.34 0.00 0.00 178.44 179.72 3i5y h ILE 247 N 1.01 1.17 -0.74 4.05 2.04 -1.06 0.21 117.51 124.20 3i5y h ILE 247 Ca 0.19 -0.51 0.16 0.00 1.00 0.00 0.00 64.86 65.70 3i5y h ILE 247 Cb 0.52 1.30 -0.13 0.00 -0.74 0.00 0.00 36.82 37.76 3i5y h ILE 247 CO 0.02 0.15 -0.07 -0.78 0.00 0.00 0.00 178.15 177.47 3i5y h ASP 248 N 0.01 -0.48 -0.04 1.72 3.58 -1.28 -0.56 116.42 119.38 3i5y h ASP 248 Ca 0.04 0.20 -0.24 0.00 0.42 0.00 0.00 57.03 57.45 3i5y h ASP 248 Cb 0.20 0.39 0.02 0.00 1.72 0.00 0.00 39.33 41.66 3i5y h ASP 248 CO -0.00 -0.20 -0.93 0.58 -2.88 0.00 0.00 179.24 175.80 3i5y h VAL 249 N 0.06 1.29 -0.66 2.25 2.07 -1.06 -3.30 116.25 116.89 3i5y h VAL 249 Ca 0.38 -2.16 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 3i5y h VAL 249 Cb 0.64 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3i5y h VAL 249 CO -0.69 0.67 0.39 -0.07 0.02 0.00 0.00 177.57 177.88 3i5y h LEU 250 N 0.37 0.81 -2.72 2.57 3.38 0.22 0.80 115.31 120.74 3i5y h LEU 250 Ca -0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3i5y h LEU 250 Cb 1.59 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3i5y h LEU 250 CO 0.19 0.65 -0.00 -0.33 0.09 0.00 0.00 178.44 179.03 3i5y h GLU 251 N 0.90 0.00 0.00 1.13 5.08 -1.21 -2.02 114.58 118.46 3i5y h GLU 251 Ca 0.24 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.50 3i5y h GLU 251 Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3i5y h GLU 251 CO -0.04 0.00 -1.51 1.63 -1.00 0.00 0.00 179.01 178.09 3i5y n LYS 252 N -3.14 1.67 -0.75 2.33 5.02 -0.83 -4.81 118.16 117.66 3i5y n LYS 252 Ca -0.02 -0.04 0.03 0.00 -2.02 0.00 0.00 58.31 56.25 3i5y n LYS 252 Cb 0.11 -1.22 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3i5y n LYS 252 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i5y n TYR 253 N -2.11 0.00 0.08 2.13 4.01 0.21 -4.83 117.16 116.65 3i5y n TYR 253 Ca -0.09 -0.34 0.03 0.00 -0.16 0.00 0.00 57.90 57.35 3i5y n TYR 253 Cb 0.56 -0.10 0.43 0.00 -0.31 0.00 0.00 39.34 39.91 3i5y n TYR 253 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3i5y h SER 254 N 0.35 0.32 0.07 7.72 4.64 -1.49 -2.51 113.55 122.65 3i5y h SER 254 Ca -0.07 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 3i5y h SER 254 Cb 1.48 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 3i5y h SER 254 CO 0.03 0.34 -0.52 0.78 -0.87 0.00 0.00 176.83 176.58 3i5y h ASN 255 N 0.36 0.54 -0.15 4.97 2.35 -1.88 -0.41 115.58 121.36 3i5y h ASN 255 Ca 0.09 -0.28 -0.21 0.00 -0.55 0.00 0.00 56.30 55.35 3i5y h ASN 255 Cb 0.15 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.37 3i5y h ASN 255 CO -0.00 0.97 -0.71 0.50 -1.65 0.00 0.00 177.43 176.53 3i5y h LYS 256 N 0.39 0.75 0.00 0.81 3.64 -1.81 -3.40 116.57 116.95 3i5y h LYS 256 Ca 0.01 -0.61 -0.01 0.00 -1.27 0.00 0.00 60.65 58.78 3i5y h LYS 256 Cb 1.05 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3i5y h LYS 256 CO 0.10 1.22 -1.12 1.19 -2.27 0.00 0.00 179.45 178.57 3i5y n PHE 257 N -4.00 0.00 -0.79 1.91 3.72 -1.06 -4.89 117.46 112.35 3i5y n PHE 257 Ca -0.07 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.40 3i5y n PHE 257 Cb 0.71 -0.06 0.19 0.00 -0.94 0.00 0.00 39.48 39.38 3i5y n PHE 257 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3i5y n PHE 258 N -1.65 0.54 1.70 1.38 3.72 -0.16 -2.08 117.46 120.91 3i5y n PHE 258 Ca -0.01 -0.81 0.15 0.00 -0.05 0.00 0.00 57.45 56.73 3i5y n PHE 258 Cb 0.13 -0.20 0.75 0.00 -0.94 0.00 0.00 39.48 39.21 3i5y n PHE 258 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i5y n ARG 259 N -0.57 1.09 -0.79 -1.08 1.74 -1.22 -3.89 116.66 111.94 3i5y n ARG 259 Ca 0.16 -0.32 0.05 0.00 -0.77 0.00 0.00 57.85 56.97 3i5y n ARG 259 Cb 0.69 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.73 3i5y n ARG 259 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i5y n PHE 260 N -0.67 0.00 -2.05 -1.55 3.72 -1.26 -0.74 117.46 114.91 3i5y n PHE 260 Ca 0.20 -0.77 -0.42 0.00 -0.05 0.00 0.00 57.45 56.41 3i5y n PHE 260 Cb 0.22 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 3i5y n PHE 260 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3i5y s VAL 261 N -1.43 2.91 -0.07 -4.37 1.01 -1.16 -4.50 120.40 112.80 3i5y s VAL 261 Ca 0.28 0.68 0.12 0.00 0.00 0.00 0.00 61.98 63.06 3i5y s VAL 261 Cb 0.29 -3.44 -0.17 0.00 0.00 0.00 0.00 36.38 33.06 3i5y s VAL 261 CO -0.07 0.07 0.16 0.47 0.00 0.00 0.00 175.10 175.73 3i5y n ASP 262 N 3.54 2.09 -3.91 3.32 8.00 -0.02 -4.47 116.55 125.10 3i5y n ASP 262 Ca 0.11 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.43 3i5y n ASP 262 Cb 0.40 1.19 -0.16 0.00 -0.02 0.00 0.00 41.12 42.54 3i5y n ASP 262 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i5y s TYR 263 N -2.59 0.55 -0.08 1.24 2.02 -0.85 -1.44 117.35 116.21 3i5y s TYR 263 Ca -0.05 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.58 3i5y s TYR 263 Cb 0.06 -0.47 -0.01 0.00 -0.40 0.00 0.00 41.96 41.14 3i5y s TYR 263 CO 0.51 -0.10 -0.24 -1.59 -1.57 0.00 0.00 175.55 172.55 3i5y s LYS 264 N 0.50 2.76 -0.16 -0.62 -2.85 -0.44 -1.32 119.74 117.61 3i5y s LYS 264 Ca -0.06 -0.89 -0.01 0.00 -1.00 0.00 0.00 55.97 54.01 3i5y s LYS 264 Cb -0.09 -2.22 -0.01 0.00 -2.06 0.00 0.00 37.83 33.45 3i5y s LYS 264 CO -0.00 0.30 -0.13 0.08 0.10 0.00 0.00 175.35 175.70 3i5y s VAL 265 N 0.05 2.88 -0.49 1.79 1.01 0.27 -1.03 120.40 124.89 3i5y s VAL 265 Ca -0.10 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 3i5y s VAL 265 Cb -0.16 -2.24 0.10 0.00 0.00 0.00 0.00 36.38 34.09 3i5y s VAL 265 CO 0.06 0.50 0.40 -0.76 0.00 0.00 0.00 175.10 175.30 3i5y s LEU 266 N 0.84 5.75 0.37 3.92 1.02 0.25 -0.39 118.68 130.44 3i5y s LEU 266 Ca -0.04 -1.58 -0.19 0.00 0.02 0.00 0.00 54.13 52.34 3i5y s LEU 266 Cb -0.15 -2.14 -0.10 0.00 0.02 0.00 0.00 46.19 43.82 3i5y s LEU 266 CO 0.00 -0.71 0.87 -0.62 0.02 0.00 0.00 176.35 175.91 3i5y s ASP 267 N 2.87 6.93 -1.35 2.29 2.15 -0.90 -1.92 116.67 126.74 3i5y s ASP 267 Ca 0.04 1.55 -0.05 0.00 0.43 0.00 0.00 52.55 54.52 3i5y s ASP 267 Cb -0.26 -2.48 -0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3i5y s ASP 267 CO 0.04 -0.26 0.51 -0.62 -0.17 0.00 0.00 175.17 174.67 3i5y n GLU 268 N -0.36 -2.92 -0.16 4.34 -0.58 -0.52 -4.49 120.64 115.94 3i5y n GLU 268 Ca 0.05 0.42 -0.03 0.00 -0.42 0.00 0.00 57.16 57.18 3i5y n GLU 268 Cb 0.53 -4.44 0.07 0.00 -0.57 0.00 0.00 31.44 27.03 3i5y n GLU 268 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i5y h ALA 269 N 0.86 0.61 -0.77 0.62 0.00 -1.22 -1.84 119.26 117.51 3i5y h ALA 269 Ca -0.64 0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.48 3i5y h ALA 269 Cb 1.37 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3i5y h ALA 269 CO 0.59 -0.24 0.51 0.38 0.00 0.00 0.00 179.25 180.49 3i5y h ASP 270 N 0.33 0.50 -0.06 0.00 2.03 -1.83 -2.00 116.42 115.39 3i5y h ASP 270 Ca 0.25 0.02 -0.12 0.00 -0.73 0.00 0.00 57.03 56.45 3i5y h ASP 270 Cb 0.28 -0.08 0.01 0.00 -0.83 0.00 0.00 39.33 38.71 3i5y h ASP 270 CO -0.27 0.27 -0.44 -0.09 -1.03 0.00 0.00 179.24 177.68 3i5y h ARG 271 N 0.54 0.41 0.00 4.15 9.65 -1.70 -3.08 114.38 124.35 3i5y h ARG 271 Ca 0.37 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3i5y h ARG 271 Cb 0.70 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 3i5y h ARG 271 CO -0.14 1.00 0.00 1.28 2.80 0.00 0.00 179.97 184.92 3i5y n LEU 272 N -4.32 0.57 -0.86 3.80 4.77 -0.82 -1.98 117.00 118.17 3i5y n LEU 272 Ca -0.09 0.72 0.10 0.00 -0.03 0.00 0.00 56.01 56.71 3i5y n LEU 272 Cb 0.57 -0.73 0.12 0.00 -2.33 0.00 0.00 43.42 41.05 3i5y n LEU 272 CO 0.44 -0.80 0.60 0.18 -1.33 0.00 0.00 177.39 176.48 3i5y n LEU 273 N -2.21 2.85 -4.81 2.23 4.77 -0.82 -2.61 117.00 116.40 3i5y n LEU 273 Ca -0.00 -1.23 -0.32 0.00 -0.03 0.00 0.00 56.01 54.43 3i5y n LEU 273 Cb 0.10 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3i5y n LEU 273 CO 0.13 0.56 0.71 -1.61 -1.33 0.00 0.00 177.39 175.84 3i5y s GLU 274 N -1.48 3.34 0.29 3.23 2.02 -0.83 -4.57 118.70 120.69 3i5y s GLU 274 Ca 0.27 1.14 -0.28 0.00 0.02 0.00 0.00 54.97 56.11 3i5y s GLU 274 Cb 0.17 -2.04 -0.14 0.00 0.10 0.00 0.00 34.13 32.22 3i5y s GLU 274 CO 0.25 -0.79 1.05 -0.89 0.02 0.00 0.00 175.26 174.91 3i5y n ILE 275 N -2.14 1.90 0.00 -1.63 2.08 -1.26 -1.88 119.36 116.43 3i5y n ILE 275 Ca 0.08 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.92 3i5y n ILE 275 Cb 0.53 -1.05 0.00 0.00 -0.75 0.00 0.00 39.64 38.37 3i5y n ILE 275 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i5y n GLY 276 N 1.26 3.02 0.04 7.39 0.00 -1.26 -4.73 105.19 110.91 3i5y n GLY 276 Ca 0.10 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.40 3i5y n GLY 276 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5y n PHE 277 N 0.00 0.00 -0.21 1.61 3.72 -0.79 -4.64 117.46 117.15 3i5y n PHE 277 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3i5y n PHE 277 Cb 0.00 -0.57 0.03 0.00 -0.94 0.00 0.00 39.48 38.01 3i5y n PHE 277 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3i5y h ARG 278 N 0.00 0.81 -0.54 -1.08 2.43 -1.16 0.08 114.38 114.92 3i5y h ARG 278 Ca -0.20 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 3i5y h ARG 278 Cb 1.33 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3i5y h ARG 278 CO 0.01 0.58 0.02 -0.44 -1.51 0.00 0.00 179.97 178.63 3i5y h ASP 279 N 0.81 0.88 -0.64 -3.80 5.19 -1.87 -0.49 116.42 116.50 3i5y h ASP 279 Ca 0.21 -0.22 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3i5y h ASP 279 Cb -0.03 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.22 3i5y h ASP 279 CO -0.04 0.93 0.13 0.44 -3.12 0.00 0.00 179.24 177.57 3i5y h ASP 280 N 0.85 1.01 -0.43 6.45 3.32 -1.67 -1.38 116.42 124.57 3i5y h ASP 280 Ca 0.16 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 3i5y h ASP 280 Cb 0.47 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3i5y h ASP 280 CO 0.02 0.99 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.18 3i5y h LEU 281 N 1.00 1.00 -0.90 1.55 -0.00 -0.69 -0.82 115.31 116.45 3i5y h LEU 281 Ca 0.20 -0.41 -0.08 0.00 -0.00 0.00 0.00 57.88 57.59 3i5y h LEU 281 Cb 0.40 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 3i5y h LEU 281 CO 0.01 1.20 -0.07 -0.33 -0.00 0.00 0.00 178.44 179.25 3i5y h GLU 282 N 0.81 0.74 -0.14 1.13 5.08 -0.91 0.21 114.58 121.50 3i5y h GLU 282 Ca 0.09 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3i5y h GLU 282 Cb 0.87 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3i5y h GLU 282 CO 0.08 0.80 0.02 1.15 -1.00 0.00 0.00 179.01 180.06 3i5y h THR 283 N 0.68 1.21 -0.28 1.13 2.02 -1.11 -0.53 112.91 116.04 3i5y h THR 283 Ca 0.12 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.67 3i5y h THR 283 Cb 0.52 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 3i5y h THR 283 CO 0.03 0.20 0.05 0.40 0.37 0.00 0.00 175.52 176.57 3i5y h ILE 284 N 0.01 0.87 -0.52 3.11 2.04 -0.73 -1.29 117.51 120.99 3i5y h ILE 284 Ca 0.04 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3i5y h ILE 284 Cb 0.29 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3i5y h ILE 284 CO 0.00 0.03 0.04 -1.28 0.00 0.00 0.00 178.15 176.94 3i5y h SER 285 N 0.16 0.81 -0.54 1.72 0.87 -0.58 -2.20 113.55 113.79 3i5y h SER 285 Ca 0.13 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 3i5y h SER 285 Cb 0.13 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3i5y h SER 285 CO -0.17 0.85 -0.09 1.23 -0.53 0.00 0.00 176.83 178.13 3i5y h GLY 286 N 0.99 1.11 0.57 5.77 0.00 -0.71 -1.59 103.07 109.21 3i5y h GLY 286 Ca 0.16 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 3i5y h GLY 286 CO 0.01 0.81 -0.00 -2.22 0.00 0.00 0.00 176.54 175.14 3i5y h ILE 287 N 0.92 1.33 -0.59 2.60 2.04 -1.06 -0.66 117.51 122.09 3i5y h ILE 287 Ca 0.15 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 65.07 3i5y h ILE 287 Cb 0.65 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3i5y h ILE 287 CO 0.05 0.26 0.39 -0.07 0.00 0.00 0.00 178.15 178.77 3i5y h LEU 288 N -0.43 0.49 -0.12 1.44 3.38 -1.42 -1.23 115.31 117.42 3i5y h LEU 288 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3i5y h LEU 288 Cb 0.43 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.08 3i5y h LEU 288 CO 0.00 0.32 -0.62 0.78 0.09 0.00 0.00 178.44 179.02 3i5y h ASN 289 N 0.56 0.74 -0.66 -0.43 4.21 -1.17 -2.99 115.58 115.84 3i5y h ASN 289 Ca 0.25 -0.64 -0.08 0.00 1.21 0.00 0.00 56.30 57.05 3i5y h ASN 289 Cb 0.29 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.24 3i5y h ASN 289 CO -0.07 1.27 0.12 -0.08 -1.29 0.00 0.00 177.43 177.37 3i5y h GLU 290 N 0.27 1.09 -0.01 0.81 4.81 -0.62 -3.24 114.58 117.69 3i5y h GLU 290 Ca -0.04 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3i5y h GLU 290 Cb 1.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3i5y h GLU 290 CO 0.13 0.99 -0.21 1.63 -0.73 0.00 0.00 179.01 180.82 3i5y n LYS 291 N -4.22 0.92 -2.18 1.92 4.76 -0.51 -4.90 118.16 113.94 3i5y n LYS 291 Ca 0.05 -0.52 -0.41 0.00 -2.87 0.00 0.00 58.31 54.56 3i5y n LYS 291 Cb 0.28 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 3i5y n LYS 291 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3i5y s ASN 292 N -2.44 6.86 0.46 4.39 3.84 -1.13 -4.41 114.94 122.51 3i5y s ASN 292 Ca 0.27 2.50 0.25 0.00 0.21 0.00 0.00 52.86 56.08 3i5y s ASN 292 Cb 0.20 -2.62 0.52 0.00 -0.55 0.00 0.00 41.25 38.79 3i5y s ASN 292 CO 0.49 -0.52 1.67 0.77 -2.79 0.00 0.00 177.10 176.73 3i5y h SER 293 N 4.70 0.00 0.00 -4.21 4.64 -1.28 -3.36 113.55 114.03 3i5y h SER 293 Ca -0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 3i5y h SER 293 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3i5y h SER 293 CO 0.73 0.01 -0.69 0.29 -0.87 0.00 0.00 176.83 176.31 3i5y n LYS 294 N -3.10 0.48 -3.73 4.77 5.02 -1.26 -5.08 118.16 115.25 3i5y n LYS 294 Ca 0.03 0.52 -0.04 0.00 -2.02 0.00 0.00 58.31 56.81 3i5y n LYS 294 Cb 0.49 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3i5y n LYS 294 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i5y s SER 295 N -5.96 -0.19 0.36 4.39 1.04 -1.26 -5.03 113.70 107.05 3i5y s SER 295 Ca -0.18 -0.36 0.27 0.00 0.48 0.00 0.00 55.95 56.16 3i5y s SER 295 Cb 0.03 0.47 0.99 0.00 0.10 0.00 0.00 66.02 67.61 3i5y s SER 295 CO 0.30 -0.86 1.79 0.00 0.98 0.00 0.00 173.24 175.45 3i5y h ALA 296 N 2.00 1.00 -0.28 5.32 0.00 -1.87 -3.11 119.26 122.32 3i5y h ALA 296 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3i5y h ALA 296 Cb 1.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3i5y h ALA 296 CO 0.26 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 3i5y n ASP 297 N -2.59 3.73 -0.03 0.00 5.75 -1.26 -4.74 116.55 117.40 3i5y n ASP 297 Ca 0.02 -3.12 -0.13 0.00 -0.01 0.00 0.00 54.79 51.56 3i5y n ASP 297 Cb 0.32 -0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 39.77 3i5y n ASP 297 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 3i5y h ASN 298 N 1.70 0.20 -2.65 -1.12 -1.24 -1.93 -3.44 115.58 107.09 3i5y h ASN 298 Ca 0.03 -0.49 -0.52 0.00 0.71 0.00 0.00 56.30 56.04 3i5y h ASN 298 Cb 1.49 -0.06 0.05 0.00 0.73 0.00 0.00 38.32 40.54 3i5y h ASN 298 CO 0.26 0.64 1.02 -0.63 -1.29 0.00 0.00 177.43 177.43 3i5y s ILE 299 N -4.27 2.30 0.20 2.57 1.01 -1.26 -4.95 121.20 116.79 3i5y s ILE 299 Ca -0.15 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 3i5y s ILE 299 Cb 0.03 -3.07 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 3i5y s ILE 299 CO 0.72 0.01 0.57 -0.54 0.00 0.00 0.00 174.94 175.69 3i5y s LYS 300 N 1.69 3.92 -0.08 2.79 1.02 -0.52 -4.61 119.74 123.94 3i5y s LYS 300 Ca 0.76 0.43 0.04 0.00 0.02 0.00 0.00 55.97 57.22 3i5y s LYS 300 Cb -0.47 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3i5y s LYS 300 CO 0.33 0.38 -0.23 0.99 -0.92 0.00 0.00 175.35 175.91 3i5y s THR 301 N -1.65 2.23 -0.21 2.17 2.01 -1.26 -1.33 115.64 117.60 3i5y s THR 301 Ca 0.43 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 3i5y s THR 301 Cb -0.13 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.55 3i5y s THR 301 CO 0.20 0.56 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.79 3i5y s LEU 302 N 0.08 2.59 -0.17 4.42 1.43 -0.20 -1.68 118.68 125.16 3i5y s LEU 302 Ca -0.10 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3i5y s LEU 302 Cb -0.16 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3i5y s LEU 302 CO 0.06 -0.05 -0.03 -0.76 0.23 0.00 0.00 176.35 175.81 3i5y s LEU 303 N 1.31 3.24 -0.03 1.79 1.43 -0.31 -0.58 118.68 125.53 3i5y s LEU 303 Ca 0.03 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3i5y s LEU 303 Cb -0.15 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3i5y s LEU 303 CO -0.09 0.14 -0.10 -0.36 0.23 0.00 0.00 176.35 176.17 3i5y s PHE 304 N 0.56 1.04 0.01 0.29 0.08 -0.81 -1.01 117.98 118.15 3i5y s PHE 304 Ca -0.02 -0.27 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 3i5y s PHE 304 Cb -0.14 -0.74 0.10 0.00 -0.57 0.00 0.00 43.02 41.66 3i5y s PHE 304 CO 0.02 -0.12 0.95 0.45 -0.10 0.00 0.00 175.22 176.43 3i5y s SER 305 N 0.22 -0.29 0.18 1.36 0.15 -1.08 -1.28 113.70 112.97 3i5y s SER 305 Ca -0.04 -0.09 0.26 0.00 0.70 0.00 0.00 55.95 56.77 3i5y s SER 305 Cb -0.09 0.37 0.67 0.00 -1.71 0.00 0.00 66.02 65.26 3i5y s SER 305 CO 0.01 -0.63 1.64 0.00 1.20 0.00 0.00 173.24 175.46 3i5y n ALA 306 N -0.29 2.48 -3.72 5.45 0.00 -1.24 -2.89 120.51 120.30 3i5y n ALA 306 Ca -0.07 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 3i5y n ALA 306 Cb 0.61 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 3i5y n ALA 306 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i5y s THR 307 N -3.12 0.84 0.05 0.00 -4.23 -1.26 -4.77 115.64 103.15 3i5y s THR 307 Ca 0.09 -1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 58.93 3i5y s THR 307 Cb 0.13 -1.64 0.07 0.00 1.34 0.00 0.00 72.50 72.39 3i5y s THR 307 CO 0.63 -0.69 0.62 -1.48 -0.54 0.00 0.00 174.62 173.16 3i5y s LEU 308 N 1.59 -0.51 0.00 4.79 0.05 -1.26 -4.59 118.68 118.75 3i5y s LEU 308 Ca 0.10 0.33 0.00 0.00 0.05 0.00 0.00 54.13 54.61 3i5y s LEU 308 Cb -0.18 2.48 0.00 0.00 -2.05 0.00 0.00 46.19 46.44 3i5y s LEU 308 CO -0.25 -0.77 0.00 -0.90 -0.55 0.00 0.00 176.35 173.88 3i5y n ASP 309 N 0.31 0.40 0.23 1.48 5.75 -1.26 -4.98 116.55 118.47 3i5y n ASP 309 Ca -0.18 -0.74 0.06 0.00 -0.01 0.00 0.00 54.79 53.92 3i5y n ASP 309 Cb 0.61 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 41.25 3i5y n ASP 309 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3i5y h ASP 310 N 0.00 0.02 -0.89 -1.12 3.32 -2.03 -2.79 116.42 112.93 3i5y h ASP 310 Ca 0.00 -0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.26 3i5y h ASP 310 Cb 0.00 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 3i5y h ASP 310 CO 0.00 0.11 0.60 0.11 -1.72 0.00 0.00 179.24 178.34 3i5y h LYS 311 N 0.03 0.34 0.00 3.56 6.56 -2.02 -0.74 116.57 124.30 3i5y h LYS 311 Ca 0.01 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.53 3i5y h LYS 311 Cb 0.17 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 3i5y h LYS 311 CO 0.01 0.22 -0.21 -0.39 -2.06 0.00 0.00 179.45 177.02 3i5y h VAL 312 N 0.35 0.42 0.00 0.50 -1.51 -1.90 -2.87 116.25 111.24 3i5y h VAL 312 Ca 0.46 -1.32 -0.04 0.00 -1.23 0.00 0.00 66.70 64.57 3i5y h VAL 312 Cb 1.24 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 32.37 3i5y h VAL 312 CO -0.16 0.21 -0.20 1.56 -1.23 0.00 0.00 177.57 177.75 3i5y h GLN 313 N 0.00 0.00 -0.04 5.19 4.20 -1.26 -1.25 115.11 121.95 3i5y h GLN 313 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 3i5y h GLN 313 Cb 0.96 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.75 3i5y h GLN 313 CO 0.03 0.20 -0.62 -0.22 -0.67 0.00 0.00 178.83 177.55 3i5y h LYS 314 N 0.00 0.49 0.00 1.46 3.64 -1.49 -3.20 116.57 117.47 3i5y h LYS 314 Ca -0.00 -0.48 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 3i5y h LYS 314 Cb 0.56 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3i5y h LYS 314 CO 0.03 1.12 -0.42 -0.07 -2.27 0.00 0.00 179.45 177.83 3i5y h LEU 315 N 0.04 0.00 -0.09 5.20 3.38 -1.44 -2.61 115.31 119.80 3i5y h LEU 315 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3i5y h LEU 315 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3i5y h LEU 315 CO 0.12 0.42 -0.09 0.00 0.09 0.00 0.00 178.44 178.98 3i5y n ALA 316 N -2.42 2.66 -0.33 1.53 0.00 -0.50 -4.45 120.51 117.00 3i5y n ALA 316 Ca -0.01 -0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.34 3i5y n ALA 316 Cb 0.46 -1.39 0.24 0.00 0.00 0.00 0.00 19.45 18.76 3i5y n ALA 316 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3i5y h ASN 317 N 0.22 -0.56 0.41 0.00 -1.24 -1.45 0.20 115.58 113.15 3i5y h ASN 317 Ca 0.00 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.28 3i5y h ASN 317 Cb 0.38 0.50 0.00 0.00 0.73 0.00 0.00 38.32 39.92 3i5y h ASN 317 CO 0.00 -0.32 0.00 0.59 -1.29 0.00 0.00 177.43 176.41 3i5y n ASN 318 N -5.50 0.00 -0.05 1.15 3.02 -1.26 -3.19 115.26 109.43 3i5y n ASN 318 Ca 0.20 -0.08 0.01 0.00 -0.03 0.00 0.00 54.58 54.67 3i5y n ASN 318 Cb 0.66 -0.27 0.01 0.00 -0.61 0.00 0.00 39.78 39.57 3i5y n ASN 318 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3i5y n ILE 319 N -1.27 0.39 -3.72 2.41 -5.35 0.65 -4.93 119.36 107.54 3i5y n ILE 319 Ca 0.11 -0.69 -0.38 0.00 -0.27 0.00 0.00 62.75 61.53 3i5y n ILE 319 Cb 0.18 0.82 -0.12 0.00 -1.74 0.00 0.00 39.64 38.78 3i5y n ILE 319 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3i5y s MET 320 N -0.44 3.31 -0.03 6.28 -1.94 -1.01 -4.90 119.30 120.56 3i5y s MET 320 Ca 0.02 -0.72 -0.08 0.00 -1.71 0.00 0.00 55.69 53.20 3i5y s MET 320 Cb 0.01 -3.42 -0.30 0.00 2.01 0.00 0.00 34.83 33.13 3i5y s MET 320 CO 0.01 -0.37 0.74 -0.91 -0.01 0.00 0.00 175.02 174.48 3i5y h ASN 321 N 8.28 0.53 -4.35 3.03 2.35 -1.88 -3.48 115.58 120.05 3i5y h ASN 321 Ca -0.33 -0.77 -0.49 0.00 -0.55 0.00 0.00 56.30 54.15 3i5y h ASN 321 Cb 1.14 -0.17 0.10 0.00 0.05 0.00 0.00 38.32 39.44 3i5y h ASN 321 CO 0.60 1.65 0.37 -0.54 -1.65 0.00 0.00 177.43 177.86 3i5y s LYS 322 N -2.59 2.56 0.17 0.81 -0.14 -1.26 -4.98 119.74 114.30 3i5y s LYS 322 Ca -0.13 0.66 0.14 0.00 -1.36 0.00 0.00 55.97 55.28 3i5y s LYS 322 Cb 0.06 -1.97 -0.06 0.00 -1.68 0.00 0.00 37.83 34.18 3i5y s LYS 322 CO 0.86 -1.29 1.18 0.87 -0.76 0.00 0.00 175.35 176.20 3i5y h LYS 323 N -0.85 0.00 -6.26 1.68 1.79 -1.94 -3.45 116.57 107.54 3i5y h LYS 323 Ca -0.46 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.37 3i5y h LYS 323 Cb 1.25 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.79 3i5y h LYS 323 CO 0.60 0.51 -0.63 -1.21 -1.08 0.00 0.00 179.45 177.64 3i5y s GLU 324 N -2.89 2.73 -0.17 3.15 2.02 -1.26 -2.39 118.70 119.89 3i5y s GLU 324 Ca 0.01 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 3i5y s GLU 324 Cb 0.08 -2.64 0.06 0.00 0.10 0.00 0.00 34.13 31.73 3i5y s GLU 324 CO 0.78 0.56 0.06 0.00 0.02 0.00 0.00 175.26 176.68 3i5y s LEU 326 N 2.03 4.39 -0.47 0.00 1.02 -0.40 -1.02 118.68 124.23 3i5y s LEU 326 Ca 0.01 2.11 -0.10 0.00 0.02 0.00 0.00 54.13 56.17 3i5y s LEU 326 Cb -0.16 -3.59 0.11 0.00 0.02 0.00 0.00 46.19 42.58 3i5y s LEU 326 CO -0.08 -0.47 0.35 0.12 0.02 0.00 0.00 176.35 176.29 3i5y s PHE 327 N 0.80 3.40 -0.48 0.29 5.99 -0.09 -0.17 117.98 127.72 3i5y s PHE 327 Ca 0.58 -1.78 -0.19 0.00 0.00 0.00 0.00 56.93 55.54 3i5y s PHE 327 Cb -0.31 -3.45 0.05 0.00 0.00 0.00 0.00 43.02 39.31 3i5y s PHE 327 CO 0.31 -0.98 0.59 -0.51 -0.00 0.00 0.00 175.22 174.63 3i5y s LEU 328 N 1.39 4.94 -0.16 6.12 1.43 0.14 -1.30 118.68 131.24 3i5y s LEU 328 Ca 0.05 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.29 3i5y s LEU 328 Cb -0.26 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3i5y s LEU 328 CO -0.00 -0.82 -0.07 -0.62 0.23 0.00 0.00 176.35 175.07 3i5y s ASP 329 N 2.48 4.38 0.00 2.29 -1.08 -1.01 -2.30 116.67 121.43 3i5y s ASP 329 Ca 0.15 -0.27 0.18 0.00 -0.52 0.00 0.00 52.55 52.09 3i5y s ASP 329 Cb -0.19 -1.71 0.03 0.00 -1.46 0.00 0.00 42.92 39.60 3i5y s ASP 329 CO 0.13 0.12 0.97 0.35 0.52 0.00 0.00 175.17 177.26 3i5y n THR 330 N 3.84 0.00 -4.37 1.71 -2.24 -0.76 -3.41 114.28 109.05 3i5y n THR 330 Ca -0.18 -0.36 -0.32 0.00 -2.27 0.00 0.00 64.05 60.92 3i5y n THR 330 Cb 0.52 1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.91 3i5y n THR 330 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i5y s VAL 331 N -1.95 3.77 0.73 2.28 1.01 -1.26 -4.93 120.40 120.04 3i5y s VAL 331 Ca 0.17 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3i5y s VAL 331 Cb 0.15 -2.67 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3i5y s VAL 331 CO 0.40 0.34 1.12 -1.81 0.00 0.00 0.00 175.10 175.15 3i5y s ASP 332 N -1.60 4.59 0.20 3.32 1.01 -1.26 -4.60 116.67 118.33 3i5y s ASP 332 Ca 0.19 2.00 -0.12 0.00 0.71 0.00 0.00 52.55 55.32 3i5y s ASP 332 Cb -0.11 -2.55 0.24 0.00 1.01 0.00 0.00 42.92 41.51 3i5y s ASP 332 CO 0.10 -1.98 1.67 0.07 0.21 0.00 0.00 175.17 175.24 3i5y h LYS 333 N -0.58 0.11 0.00 8.23 -0.00 -1.99 -3.05 116.57 119.29 3i5y h LYS 333 Ca -0.45 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.65 60.07 3i5y h LYS 333 Cb 1.25 -0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 33.43 3i5y h LYS 333 CO 0.51 0.08 -1.80 0.09 -0.00 0.00 0.00 179.45 178.33 3i5y n ASN 334 N -5.25 0.32 -4.62 7.07 5.03 -1.26 -4.98 115.26 111.57 3i5y n ASN 334 Ca 0.07 0.13 -0.47 0.00 0.87 0.00 0.00 54.58 55.18 3i5y n ASN 334 Cb 0.31 1.15 -0.03 0.00 -1.02 0.00 0.00 39.78 40.19 3i5y n ASN 334 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3i5y n GLU 335 N -2.56 1.52 -2.06 3.52 2.13 -1.16 -4.89 120.64 117.13 3i5y n GLU 335 Ca -0.11 0.54 -0.38 0.00 0.66 0.00 0.00 57.16 57.87 3i5y n GLU 335 Cb 0.75 -2.10 0.01 0.00 0.27 0.00 0.00 31.44 30.37 3i5y n GLU 335 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3i5y s PRO 336 N -0.41 3.63 0.27 5.31 0.04 -1.26 -4.72 135.00 137.86 3i5y s PRO 336 Ca 0.71 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.85 3i5y s PRO 336 Cb -0.77 -2.45 0.35 0.00 0.04 0.00 0.00 34.50 31.68 3i5y s PRO 336 CO 0.51 -0.73 1.61 0.93 0.04 0.00 0.00 177.00 179.37 3i5y h GLU 337 N 2.03 0.07 -6.62 4.56 5.08 -1.90 -3.45 114.58 114.35 3i5y h GLU 337 Ca -0.50 -0.04 -0.58 0.00 -1.00 0.00 0.00 59.36 57.23 3i5y h GLU 337 Cb 1.26 0.01 0.14 0.00 0.50 0.00 0.00 28.75 30.66 3i5y h GLU 337 CO 0.60 0.64 0.07 0.00 -1.00 0.00 0.00 179.01 179.32 3i5y n ALA 338 N -2.44 -0.07 -2.40 3.43 0.00 -1.26 -4.74 120.51 113.03 3i5y n ALA 338 Ca -0.02 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 3i5y n ALA 338 Cb 0.60 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 3i5y n ALA 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i5y s HIS 339 N -1.33 3.11 0.42 0.00 2.46 -1.26 -4.92 115.29 113.76 3i5y s HIS 339 Ca 0.65 1.12 0.16 0.00 0.47 0.00 0.00 55.06 57.45 3i5y s HIS 339 Cb -0.55 -3.48 0.99 0.00 -0.13 0.00 0.00 32.58 29.41 3i5y s HIS 339 CO 0.56 -1.59 1.95 1.05 -2.47 0.00 0.00 174.74 174.24 3i5y h GLU 340 N 7.55 0.00 0.00 2.88 9.09 -1.92 -2.60 114.58 129.58 3i5y h GLU 340 Ca -0.35 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.05 3i5y h GLU 340 Cb 1.16 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3i5y h GLU 340 CO 0.89 0.23 -0.05 -0.09 0.05 0.00 0.00 179.01 180.03 3i5y h ARG 341 N 0.00 0.00 -6.34 1.06 2.43 -1.95 -3.43 114.38 106.15 3i5y h ARG 341 Ca -0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.62 3i5y h ARG 341 Cb 0.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3i5y h ARG 341 CO 0.03 0.05 0.95 0.42 -1.51 0.00 0.00 179.97 179.91 3i5y s ILE 342 N -3.55 3.57 -0.71 1.20 1.01 -0.98 -4.46 121.20 117.28 3i5y s ILE 342 Ca 0.02 0.88 -0.24 0.00 0.00 0.00 0.00 60.65 61.32 3i5y s ILE 342 Cb 0.08 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 39.05 3i5y s ILE 342 CO 0.59 -0.03 1.10 -0.62 0.00 0.00 0.00 174.94 175.98 3i5y s ASP 343 N 2.44 6.20 0.17 3.58 2.15 -0.48 -4.93 116.67 125.81 3i5y s ASP 343 Ca 0.68 -0.88 -0.14 0.00 0.43 0.00 0.00 52.55 52.64 3i5y s ASP 343 Cb -0.33 -2.47 -0.07 0.00 -0.30 0.00 0.00 42.92 39.75 3i5y s ASP 343 CO 0.28 -1.56 0.57 -1.10 -0.17 0.00 0.00 175.17 173.19 3i5y s GLN 344 N 4.59 3.97 0.03 4.34 -0.21 -1.26 -1.64 119.66 129.48 3i5y s GLN 344 Ca 0.28 0.49 -0.19 0.00 0.02 0.00 0.00 55.36 55.96 3i5y s GLN 344 Cb -0.13 -2.87 0.04 0.00 1.00 0.00 0.00 33.01 31.06 3i5y s GLN 344 CO 0.10 0.44 0.43 -1.54 -2.12 0.00 0.00 175.29 172.60 3i5y s SER 345 N -1.83 -0.32 -0.02 5.90 1.04 -0.10 -3.83 113.70 114.54 3i5y s SER 345 Ca 0.40 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.95 3i5y s SER 345 Cb -0.14 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 3i5y s SER 345 CO 0.19 -0.64 -0.14 0.54 0.98 0.00 0.00 173.24 174.17 3i5y s VAL 346 N -2.25 1.17 -0.27 5.02 0.11 0.45 -0.80 120.40 123.83 3i5y s VAL 346 Ca -0.07 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3i5y s VAL 346 Cb -0.01 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3i5y s VAL 346 CO -0.01 0.34 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.35 3i5y s VAL 347 N -0.14 2.71 -0.44 2.04 1.01 0.42 -2.15 120.40 123.86 3i5y s VAL 347 Ca 0.01 -1.29 -0.16 0.00 0.00 0.00 0.00 61.98 60.54 3i5y s VAL 347 Cb -0.08 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.86 3i5y s VAL 347 CO 0.00 0.06 0.40 -0.63 0.00 0.00 0.00 175.10 174.93 3i5y s ILE 348 N 1.25 5.15 0.65 2.22 1.01 0.48 -2.13 121.20 129.82 3i5y s ILE 348 Ca -0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 3i5y s ILE 348 Cb -0.18 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.29 3i5y s ILE 348 CO -0.04 -0.46 0.93 -0.44 0.00 0.00 0.00 174.94 174.93 3i5y s SER 349 N 2.01 4.97 0.01 3.58 0.01 0.14 -2.31 113.70 122.11 3i5y s SER 349 Ca 0.08 0.27 0.12 0.00 1.31 0.00 0.00 55.95 57.74 3i5y s SER 349 Cb -0.19 -1.01 -0.20 0.00 0.21 0.00 0.00 66.02 64.83 3i5y s SER 349 CO 0.11 -1.44 0.81 -0.08 0.41 0.00 0.00 173.24 173.05 3i5y h GLU 350 N -0.36 0.00 -5.95 12.44 4.57 -1.86 0.87 114.58 124.29 3i5y h GLU 350 Ca -0.43 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.19 3i5y h GLU 350 Cb 1.31 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.76 3i5y h GLU 350 CO 0.57 0.54 -0.73 0.15 -1.18 0.00 0.00 179.01 178.36 3i5y s LYS 351 N -2.68 1.60 0.03 1.92 1.02 -1.26 -4.35 119.74 116.02 3i5y s LYS 351 Ca -0.03 -1.75 -0.25 0.00 0.02 0.00 0.00 55.97 53.96 3i5y s LYS 351 Cb 0.08 -1.54 -0.17 0.00 -0.52 0.00 0.00 37.83 35.68 3i5y s LYS 351 CO 0.82 0.24 1.46 0.35 -0.92 0.00 0.00 175.35 177.30 3i5y h PHE 352 N 2.31 -0.17 -0.85 3.18 3.57 -1.91 -3.07 116.94 120.01 3i5y h PHE 352 Ca -0.40 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.28 3i5y h PHE 352 Cb 1.25 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.98 3i5y h PHE 352 CO 0.77 0.09 0.57 0.00 -2.23 0.00 0.00 178.31 177.50 3i5y h ALA 353 N 0.42 2.20 -0.41 2.41 0.00 -1.94 -1.15 119.26 120.79 3i5y h ALA 353 Ca -0.02 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3i5y h ALA 353 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3i5y h ALA 353 CO 0.03 -0.46 0.33 -0.91 0.00 0.00 0.00 179.25 178.25 3i5y h ASN 354 N 0.39 0.00 0.24 0.00 4.21 -1.96 -0.77 115.58 117.69 3i5y h ASN 354 Ca 0.43 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.92 3i5y h ASN 354 Cb 1.08 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3i5y h ASN 354 CO -0.15 0.00 -0.11 0.28 -1.29 0.00 0.00 177.43 176.16 3i5y h SER 355 N 0.00 0.00 -0.68 5.81 0.02 -1.32 -0.63 113.55 116.74 3i5y h SER 355 Ca 0.20 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3i5y h SER 355 Cb 0.85 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 3i5y h SER 355 CO -0.00 0.11 0.28 0.40 -1.14 0.00 0.00 176.83 176.48 3i5y h ILE 356 N 0.00 1.24 0.06 3.27 2.04 -1.30 -1.87 117.51 120.96 3i5y h ILE 356 Ca -0.00 -0.74 -0.24 0.00 1.00 0.00 0.00 64.86 64.88 3i5y h ILE 356 Cb 0.26 0.45 0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3i5y h ILE 356 CO 0.01 0.30 -0.97 -0.26 0.00 0.00 0.00 178.15 177.23 3i5y h PHE 357 N 0.97 0.86 -0.49 1.37 0.04 -1.39 -2.13 116.94 116.16 3i5y h PHE 357 Ca 0.23 -0.51 0.09 0.00 2.80 0.00 0.00 57.97 60.58 3i5y h PHE 357 Cb 0.20 -0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.19 3i5y h PHE 357 CO 0.01 1.35 0.02 0.00 -0.60 0.00 0.00 178.31 179.10 3i5y h ALA 358 N 0.29 0.48 -0.62 2.45 0.00 -1.18 -0.92 119.26 119.77 3i5y h ALA 358 Ca -0.14 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i5y h ALA 358 Cb 1.67 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 3i5y h ALA 358 CO 0.19 -0.37 0.16 0.00 0.00 0.00 0.00 179.25 179.22 3i5y h ALA 359 N 1.43 0.81 -0.33 0.00 0.00 -1.27 -1.02 119.26 118.88 3i5y h ALA 359 Ca 0.25 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i5y h ALA 359 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3i5y h ALA 359 CO -0.39 0.51 0.19 0.28 0.00 0.00 0.00 179.25 179.84 3i5y h VAL 360 N 0.90 1.13 -0.30 0.00 2.07 -1.02 -1.31 116.25 117.72 3i5y h VAL 360 Ca 0.19 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3i5y h VAL 360 Cb 0.34 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3i5y h VAL 360 CO 0.00 0.13 -0.09 -0.33 0.02 0.00 0.00 177.57 177.30 3i5y h GLU 361 N 0.42 0.49 0.33 1.57 5.08 -0.84 -0.89 114.58 120.74 3i5y h GLU 361 Ca 0.12 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3i5y h GLU 361 Cb 0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3i5y h GLU 361 CO -0.02 0.59 -0.16 1.25 -1.00 0.00 0.00 179.01 179.67 3i5y h HIS 362 N 0.46 -0.41 -0.83 4.33 2.76 -0.87 -1.47 115.15 119.12 3i5y h HIS 362 Ca 0.09 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3i5y h HIS 362 Cb 0.44 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.48 3i5y h HIS 362 CO 0.01 -0.10 0.51 0.82 -1.30 0.00 0.00 177.93 177.87 3i5y h ILE 363 N -0.71 1.03 -0.66 6.26 2.04 -1.15 -0.45 117.51 123.88 3i5y h ILE 363 Ca -0.05 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3i5y h ILE 363 Cb 0.49 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3i5y h ILE 363 CO 0.07 0.17 0.34 0.50 0.00 0.00 0.00 178.15 179.23 3i5y h LYS 364 N 0.93 0.59 -0.05 2.37 3.64 -1.11 -1.37 116.57 121.58 3i5y h LYS 364 Ca 0.36 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 3i5y h LYS 364 Cb 0.17 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3i5y h LYS 364 CO -0.17 0.39 -0.49 -0.22 -2.27 0.00 0.00 179.45 176.69 3i5y h LYS 365 N 0.61 0.12 -0.12 1.90 3.64 -0.10 -2.81 116.57 119.80 3i5y h LYS 365 Ca 0.31 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.43 3i5y h LYS 365 Cb 0.26 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3i5y h LYS 365 CO -0.22 0.59 -0.67 1.96 -2.27 0.00 0.00 179.45 178.84 3i5y h GLN 366 N 0.10 0.67 -0.64 1.90 1.08 -0.71 -2.33 115.11 115.18 3i5y h GLN 366 Ca 0.00 -0.56 0.03 0.00 -1.45 0.00 0.00 58.65 56.67 3i5y h GLN 366 Cb 0.90 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.41 3i5y h GLN 366 CO 0.07 1.17 0.39 0.82 -0.95 0.00 0.00 178.83 180.34 3i5y h ILE 367 N 0.34 1.08 -0.16 2.54 2.04 -1.24 0.60 117.51 122.72 3i5y h ILE 367 Ca -0.05 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3i5y h ILE 367 Cb 1.31 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3i5y h ILE 367 CO 0.14 0.14 0.02 0.50 0.00 0.00 0.00 178.15 178.95 3i5y h LYS 368 N 0.78 0.27 -0.16 2.37 1.63 -1.55 0.97 116.57 120.88 3i5y h LYS 368 Ca 0.25 -0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.80 3i5y h LYS 368 Cb 0.01 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3i5y h LYS 368 CO -0.10 0.46 -0.63 0.93 -3.45 0.00 0.00 179.45 176.66 3i5y h GLU 369 N 0.05 0.57 -0.58 1.90 5.08 -1.17 -2.95 114.58 117.48 3i5y h GLU 369 Ca 0.05 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3i5y h GLU 369 Cb 0.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i5y h GLU 369 CO 0.00 1.02 0.00 0.54 -1.00 0.00 0.00 179.01 179.57 3i5y n ARG 370 N -3.92 2.34 -3.96 2.33 1.74 0.18 -4.96 116.66 110.41 3i5y n ARG 370 Ca -0.04 -2.08 -0.25 0.00 -0.77 0.00 0.00 57.85 54.71 3i5y n ARG 370 Cb 0.65 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.62 3i5y n ARG 370 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i5y n ASP 371 N 1.19 -0.30 0.00 0.55 2.03 -0.78 -0.97 116.55 118.27 3i5y n ASP 371 Ca 0.19 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.49 3i5y n ASP 371 Cb 0.49 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.87 3i5y n ASP 371 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3i5y n SER 372 N -2.98 -3.62 -3.84 1.67 7.64 0.27 -4.91 113.62 107.84 3i5y n SER 372 Ca -0.31 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.15 3i5y n SER 372 Cb 0.69 -2.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.48 3i5y n SER 372 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3i5y n ASN 373 N -0.51 4.61 -3.69 6.43 3.02 -0.14 -4.85 115.26 120.12 3i5y n ASN 373 Ca 0.00 -3.00 -0.19 0.00 -0.03 0.00 0.00 54.58 51.37 3i5y n ASN 373 Cb 0.25 -1.56 -0.17 0.00 -0.61 0.00 0.00 39.78 37.69 3i5y n ASN 373 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i5y s TYR 374 N 1.61 0.02 -0.17 3.10 5.04 -1.26 -4.89 117.35 120.80 3i5y s TYR 374 Ca 0.43 0.29 0.01 0.00 -2.44 0.00 0.00 57.07 55.35 3i5y s TYR 374 Cb 0.11 -0.40 0.02 0.00 0.35 0.00 0.00 41.96 42.04 3i5y s TYR 374 CO -0.03 -0.18 -0.19 0.21 -1.34 0.00 0.00 175.55 174.02 3i5y s LYS 375 N 1.96 2.84 0.00 4.97 2.20 -1.26 -0.64 119.74 129.81 3i5y s LYS 375 Ca 0.02 -0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 54.80 3i5y s LYS 375 Cb -0.12 -2.44 -0.00 0.00 -1.51 0.00 0.00 37.83 33.75 3i5y s LYS 375 CO -0.03 -0.19 0.09 0.00 -0.36 0.00 0.00 175.35 174.86 3i5y s ALA 376 N 1.26 -0.21 -0.15 3.13 0.00 -0.00 -0.24 121.76 125.55 3i5y s ALA 376 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 3i5y s ALA 376 Cb -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3i5y s ALA 376 CO -0.11 -0.19 -0.13 0.42 0.00 0.00 0.00 175.76 175.76 3i5y s ILE 377 N -1.31 2.95 -0.20 0.00 1.01 -0.62 -1.41 121.20 121.62 3i5y s ILE 377 Ca -0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 3i5y s ILE 377 Cb -0.08 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3i5y s ILE 377 CO 0.01 0.51 -0.11 -0.51 0.00 0.00 0.00 174.94 174.83 3i5y s ILE 378 N 0.68 2.83 0.12 2.92 2.07 0.24 0.13 121.20 130.19 3i5y s ILE 378 Ca -0.06 -0.68 -0.09 0.00 -1.41 0.00 0.00 60.65 58.40 3i5y s ILE 378 Cb -0.15 -2.25 -0.06 0.00 0.13 0.00 0.00 42.46 40.13 3i5y s ILE 378 CO 0.02 0.48 0.43 -0.36 -1.91 0.00 0.00 174.94 173.60 3i5y s PHE 379 N 1.31 3.54 0.06 3.50 0.08 0.20 -1.61 117.98 125.06 3i5y s PHE 379 Ca 0.04 0.79 0.01 0.00 0.12 0.00 0.00 56.93 57.88 3i5y s PHE 379 Cb -0.14 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 3i5y s PHE 379 CO -0.06 0.46 -0.05 0.00 -0.10 0.00 0.00 175.22 175.47 3i5y s ALA 380 N -1.51 0.60 0.31 5.36 0.00 -0.31 -1.98 121.76 124.23 3i5y s ALA 380 Ca 0.37 -1.07 0.15 0.00 0.00 0.00 0.00 51.96 51.41 3i5y s ALA 380 Cb -0.13 0.18 0.70 0.00 0.00 0.00 0.00 23.12 23.87 3i5y s ALA 380 CO 0.20 -0.23 1.78 -1.35 0.00 0.00 0.00 175.76 176.16 3i5y h PRO 381 N 3.57 0.00 -4.21 0.00 0.11 -1.84 -3.38 132.00 126.26 3i5y h PRO 381 Ca -0.34 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 3i5y h PRO 381 Cb 1.17 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 3i5y h PRO 381 CO 0.57 0.40 -0.69 0.95 -0.21 0.00 0.00 178.00 179.03 3i5y s THR 382 N -3.93 0.22 0.15 -1.15 -4.23 -1.26 -4.90 115.64 100.54 3i5y s THR 382 Ca -0.02 -1.60 -0.17 0.00 -1.18 0.00 0.00 61.69 58.72 3i5y s THR 382 Cb 0.13 -1.23 0.01 0.00 1.34 0.00 0.00 72.50 72.75 3i5y s THR 382 CO 0.71 -0.87 1.73 0.58 -0.54 0.00 0.00 174.62 176.23 3i5y h VAL 383 N 3.50 0.84 -0.51 2.29 2.07 -1.99 0.10 116.25 122.55 3i5y h VAL 383 Ca -0.34 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3i5y h VAL 383 Cb 1.16 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3i5y h VAL 383 CO 0.60 0.03 -0.03 0.11 0.02 0.00 0.00 177.57 178.30 3i5y h LYS 384 N 0.17 0.89 -0.07 1.57 1.57 -1.96 -1.27 116.57 117.47 3i5y h LYS 384 Ca 0.15 -0.27 -0.21 0.00 -1.87 0.00 0.00 60.65 58.45 3i5y h LYS 384 Cb 0.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3i5y h LYS 384 CO -0.20 0.90 -0.81 0.35 -0.57 0.00 0.00 179.45 179.12 3i5y h PHE 385 N 0.82 0.67 -0.42 -1.35 3.57 -1.78 -2.16 116.94 116.29 3i5y h PHE 385 Ca 0.15 -0.32 0.04 0.00 3.53 0.00 0.00 57.97 61.37 3i5y h PHE 385 Cb 0.53 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3i5y h PHE 385 CO 0.03 1.11 0.18 1.15 -2.23 0.00 0.00 178.31 178.55 3i5y h THR 386 N 0.31 0.92 -0.23 4.41 2.02 -0.61 0.20 112.91 119.94 3i5y h THR 386 Ca -0.05 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3i5y h THR 386 Cb 1.42 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3i5y h THR 386 CO 0.15 0.07 0.14 -1.28 0.37 0.00 0.00 175.52 174.97 3i5y h SER 387 N 0.36 0.27 -0.74 4.18 0.87 -1.14 -1.27 113.55 116.08 3i5y h SER 387 Ca 0.19 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3i5y h SER 387 Cb 0.14 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 3i5y h SER 387 CO -0.16 0.21 0.44 0.15 -0.53 0.00 0.00 176.83 176.94 3i5y h PHE 388 N 0.30 0.81 -0.65 2.24 3.57 -1.17 -2.51 116.94 119.52 3i5y h PHE 388 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3i5y h PHE 388 Cb -0.01 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3i5y h PHE 388 CO -0.06 0.41 0.22 1.25 -2.23 0.00 0.00 178.31 177.91 3i5y h LEU 389 N 0.81 0.90 -0.44 0.59 5.85 0.04 -2.57 115.31 120.49 3i5y h LEU 389 Ca 0.32 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3i5y h LEU 389 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3i5y h LEU 389 CO -0.16 0.83 0.23 0.00 -0.34 0.00 0.00 178.44 179.00 3i5y h SER 391 N 0.57 -0.61 0.34 0.00 0.02 -1.11 0.45 113.55 113.21 3i5y h SER 391 Ca 0.15 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3i5y h SER 391 Cb 0.07 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3i5y h SER 391 CO -0.02 -0.21 -0.27 0.40 -1.14 0.00 0.00 176.83 175.59 3i5y h ILE 392 N -0.08 0.43 -0.39 3.27 2.04 -1.18 -1.73 117.51 119.86 3i5y h ILE 392 Ca 0.21 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.99 3i5y h ILE 392 Cb 0.41 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3i5y h ILE 392 CO -0.50 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 177.50 3i5y h LEU 393 N -0.61 0.65 0.45 1.44 3.38 -0.81 -0.91 115.31 118.89 3i5y h LEU 393 Ca -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3i5y h LEU 393 Cb 0.54 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3i5y h LEU 393 CO -0.02 0.78 -0.35 0.11 0.09 0.00 0.00 178.44 179.06 3i5y h LYS 394 N 0.61 -0.76 -0.78 1.13 1.57 -0.01 0.33 116.57 118.66 3i5y h LYS 394 Ca 0.11 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.06 3i5y h LYS 394 Cb 0.52 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.92 3i5y h LYS 394 CO 0.03 -0.51 0.39 -0.91 -0.57 0.00 0.00 179.45 177.89 3i5y h ASN 395 N -0.79 0.49 -0.02 0.86 2.35 -0.74 -0.07 115.58 117.67 3i5y h ASN 395 Ca -0.04 0.08 -0.23 0.00 -0.55 0.00 0.00 56.30 55.56 3i5y h ASN 395 Cb 0.67 -0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.06 3i5y h ASN 395 CO 0.00 0.25 -0.87 -0.33 -1.65 0.00 0.00 177.43 174.83 3i5y h GLU 396 N 0.62 0.62 0.00 0.81 4.39 -1.08 -3.43 114.58 116.51 3i5y h GLU 396 Ca 0.40 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3i5y h GLU 396 Cb 0.50 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3i5y h GLU 396 CO -0.32 1.25 0.00 1.19 -1.16 0.00 0.00 179.01 179.97 3i5y n PHE 397 N -3.99 0.00 -0.16 4.33 3.72 0.11 -4.72 117.46 116.76 3i5y n PHE 397 Ca -0.10 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.39 3i5y n PHE 397 Cb 0.80 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.75 3i5y n PHE 397 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3i5y h LYS 398 N 0.00 0.59 0.00 -1.08 3.64 -1.07 0.12 116.57 118.77 3i5y h LYS 398 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3i5y h LYS 398 Cb 0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3i5y h LYS 398 CO 0.00 0.39 -0.18 1.57 -2.27 0.00 0.00 179.45 178.96 3i5y h LYS 399 N 0.61 0.00 0.00 1.90 2.10 -1.84 -3.03 116.57 116.31 3i5y h LYS 399 Ca 0.32 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.74 3i5y h LYS 399 Cb 0.45 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.74 3i5y h LYS 399 CO -0.11 0.18 -1.79 -0.25 -2.00 0.00 0.00 179.45 175.48 3i5y n ASP 400 N -3.69 0.55 -3.49 7.07 8.00 0.21 -5.05 116.55 120.15 3i5y n ASP 400 Ca -0.01 0.25 -0.14 0.00 0.71 0.00 0.00 54.79 55.59 3i5y n ASP 400 Cb 0.30 0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 41.88 3i5y n ASP 400 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i5y s LEU 401 N -5.64 -0.57 0.29 0.64 1.43 -0.05 -4.93 118.68 109.85 3i5y s LEU 401 Ca -0.06 0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 3i5y s LEU 401 Cb 0.08 2.43 -0.10 0.00 0.03 0.00 0.00 46.19 48.64 3i5y s LEU 401 CO 0.83 -0.70 1.10 -2.16 0.23 0.00 0.00 176.35 175.65 3i5y s PRO 402 N -2.23 4.58 -0.23 1.29 0.04 -1.26 -3.94 135.00 133.25 3i5y s PRO 402 Ca -0.04 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3i5y s PRO 402 Cb -0.00 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.44 3i5y s PRO 402 CO -0.01 0.16 -0.12 0.42 0.04 0.00 0.00 177.00 177.49 3i5y s ILE 403 N -1.21 2.41 -0.14 0.56 -1.09 -1.26 -1.18 121.20 119.30 3i5y s ILE 403 Ca 0.46 -1.15 -0.04 0.00 -2.23 0.00 0.00 60.65 57.68 3i5y s ILE 403 Cb -0.31 -2.21 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 3i5y s ILE 403 CO 0.40 0.26 0.01 -0.76 -1.23 0.00 0.00 174.94 173.62 3i5y s LEU 404 N 1.26 3.56 -0.33 2.97 1.43 0.38 -5.01 118.68 122.94 3i5y s LEU 404 Ca -0.01 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 3i5y s LEU 404 Cb -0.16 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3i5y s LEU 404 CO -0.08 0.24 0.23 -0.70 0.23 0.00 0.00 176.35 176.28 3i5y s GLU 405 N -0.04 3.57 -0.23 1.70 2.12 -1.26 -0.41 118.70 124.15 3i5y s GLU 405 Ca 0.04 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.78 3i5y s GLU 405 Cb -0.13 -3.78 0.06 0.00 0.26 0.00 0.00 34.13 30.54 3i5y s GLU 405 CO 0.02 -0.40 -0.03 0.12 -0.54 0.00 0.00 175.26 174.42 3i5y s PHE 406 N 1.73 2.19 0.31 5.30 5.36 -0.10 -4.96 117.98 127.80 3i5y s PHE 406 Ca 0.06 -1.63 -0.19 0.00 -0.96 0.00 0.00 56.93 54.21 3i5y s PHE 406 Cb -0.17 -1.51 0.04 0.00 -0.34 0.00 0.00 43.02 41.04 3i5y s PHE 406 CO 0.11 -0.75 0.79 -3.38 -1.46 0.00 0.00 175.22 170.53 3i5y s HIS 407 N 1.47 -0.03 -0.99 10.12 -3.43 -1.26 -3.06 115.29 118.11 3i5y s HIS 407 Ca -0.05 -0.52 0.09 0.00 -0.80 0.00 0.00 55.06 53.79 3i5y s HIS 407 Cb -0.19 0.76 0.40 0.00 -1.43 0.00 0.00 32.58 32.13 3i5y s HIS 407 CO -0.07 -1.34 1.30 0.41 -2.00 0.00 0.00 174.74 173.04 3i5y n GLY 408 N -0.51 -0.82 0.68 -1.38 0.00 -1.26 -1.46 105.19 100.43 3i5y n GLY 408 Ca -0.06 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3i5y n GLY 408 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5y n LYS 409 N -1.51 1.68 -2.42 1.61 4.76 -1.26 -4.85 118.16 116.17 3i5y n LYS 409 Ca 0.02 -1.36 -0.42 0.00 -2.87 0.00 0.00 58.31 53.68 3i5y n LYS 409 Cb 0.11 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 3i5y n LYS 409 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i5y s ILE 410 N -2.25 4.02 0.70 -0.18 -1.09 -0.54 -5.00 121.20 116.86 3i5y s ILE 410 Ca 0.24 1.46 -0.16 0.00 -2.23 0.00 0.00 60.65 59.96 3i5y s ILE 410 Cb 0.19 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3i5y s ILE 410 CO 0.44 0.12 0.95 0.35 -1.23 0.00 0.00 174.94 175.58 3i5y n THR 411 N 3.83 2.98 -0.07 2.92 -2.24 -1.26 -4.68 114.28 115.76 3i5y n THR 411 Ca 0.09 -0.40 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3i5y n THR 411 Cb 0.46 -1.10 0.28 0.00 -2.10 0.00 0.00 70.33 67.87 3i5y n THR 411 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3i5y h GLN 412 N -0.13 0.68 -0.59 -0.78 5.75 -1.95 -1.67 115.11 116.43 3i5y h GLN 412 Ca -0.48 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 57.97 3i5y h GLN 412 Cb 1.34 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.72 3i5y h GLN 412 CO 0.47 0.59 0.30 -0.91 -2.65 0.00 0.00 178.83 176.63 3i5y h ASN 413 N 0.67 0.42 0.16 -0.69 2.35 -1.90 -2.35 115.58 114.25 3i5y h ASN 413 Ca 0.16 0.04 -0.24 0.00 -0.55 0.00 0.00 56.30 55.70 3i5y h ASN 413 Cb 0.19 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.53 3i5y h ASN 413 CO -0.01 0.28 -0.97 0.11 -1.65 0.00 0.00 177.43 175.19 3i5y h LYS 414 N 0.56 0.56 -0.63 0.81 1.57 -1.73 -2.41 116.57 115.30 3i5y h LYS 414 Ca 0.27 -0.58 0.11 0.00 -1.87 0.00 0.00 60.65 58.57 3i5y h LYS 414 Cb 0.19 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 3i5y h LYS 414 CO -0.19 1.20 0.19 0.00 -0.57 0.00 0.00 179.45 180.08 3i5y h ARG 415 N 0.32 0.33 -0.16 3.15 3.08 -1.27 -0.35 114.38 119.47 3i5y h ARG 415 Ca -0.10 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3i5y h ARG 415 Cb 1.61 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 3i5y h ARG 415 CO 0.18 0.22 -0.04 1.15 -1.07 0.00 0.00 179.97 180.41 3i5y h THR 416 N 0.34 1.29 -0.56 2.04 2.02 -1.33 -2.15 112.91 114.54 3i5y h THR 416 Ca 0.33 -0.99 -0.11 0.00 0.77 0.00 0.00 66.41 66.41 3i5y h THR 416 Cb 0.46 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 3i5y h THR 416 CO -0.37 0.29 -0.08 0.77 0.37 0.00 0.00 175.52 176.50 3i5y h SER 417 N 0.02 1.05 0.84 4.18 4.64 -1.20 -1.23 113.55 121.84 3i5y h SER 417 Ca 0.04 -0.34 -0.11 0.00 -0.47 0.00 0.00 61.79 60.91 3i5y h SER 417 Cb 0.47 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3i5y h SER 417 CO 0.02 1.14 -0.52 0.17 -0.87 0.00 0.00 176.83 176.76 3i5y h LEU 418 N 0.94 0.00 -0.66 5.97 8.10 -1.10 -0.51 115.31 128.06 3i5y h LEU 418 Ca 0.15 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 58.03 3i5y h LEU 418 Cb 0.66 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.86 3i5y h LEU 418 CO 0.05 0.52 -0.13 0.58 -4.11 0.00 0.00 178.44 175.35 3i5y h VAL 419 N 0.00 1.27 -0.71 0.15 2.07 -1.20 -1.41 116.25 116.42 3i5y h VAL 419 Ca -0.01 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 3i5y h VAL 419 Cb 1.08 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3i5y h VAL 419 CO 0.07 0.44 0.25 0.50 0.02 0.00 0.00 177.57 178.85 3i5y h LYS 420 N 0.81 1.08 -0.16 1.57 3.64 -0.65 -1.94 116.57 120.92 3i5y h LYS 420 Ca 0.13 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 3i5y h LYS 420 Cb 0.67 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3i5y h LYS 420 CO 0.05 0.91 -0.20 -0.09 -2.27 0.00 0.00 179.45 177.85 3i5y h ARG 421 N 1.03 0.42 0.00 1.90 2.43 -1.00 -3.03 114.38 116.12 3i5y h ARG 421 Ca 0.23 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3i5y h ARG 421 Cb 0.26 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3i5y h ARG 421 CO -0.01 0.81 -0.15 0.35 -1.51 0.00 0.00 179.97 179.46 3i5y h PHE 422 N 0.05 0.00 -0.48 2.20 3.57 -1.22 0.29 116.94 121.36 3i5y h PHE 422 Ca 0.02 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3i5y h PHE 422 Cb 0.76 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3i5y h PHE 422 CO 0.09 0.15 0.20 0.87 -2.23 0.00 0.00 178.31 177.39 3i5y h LYS 423 N 0.00 0.71 0.06 1.11 1.57 -1.40 -3.34 116.57 115.28 3i5y h LYS 423 Ca -0.00 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 3i5y h LYS 423 Cb 0.86 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.07 3i5y h LYS 423 CO 0.02 0.63 -0.61 0.87 -0.57 0.00 0.00 179.45 179.80 3i5y h LYS 424 N 0.63 0.30 -6.90 3.15 1.57 -1.07 -3.38 116.57 110.86 3i5y h LYS 424 Ca 0.16 -0.41 -0.56 0.00 -1.87 0.00 0.00 60.65 57.97 3i5y h LYS 424 Cb 0.18 0.14 0.13 0.00 0.08 0.00 0.00 32.23 32.76 3i5y h LYS 424 CO -0.01 1.14 0.48 -0.25 -0.57 0.00 0.00 179.45 180.24 3i5y n ASP 425 N -4.24 2.38 0.20 0.86 8.00 0.90 -4.92 116.55 119.72 3i5y n ASP 425 Ca -0.12 1.03 0.09 0.00 0.71 0.00 0.00 54.79 56.50 3i5y n ASP 425 Cb 0.70 -1.51 0.14 0.00 -0.02 0.00 0.00 41.12 40.43 3i5y n ASP 425 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3i5y h GLU 426 N 1.66 0.00 -3.41 -1.24 9.09 -1.91 -3.47 114.58 115.30 3i5y h GLU 426 Ca -0.49 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 58.87 3i5y h GLU 426 Cb 1.31 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.28 3i5y h GLU 426 CO 0.58 0.15 -0.08 -1.54 0.05 0.00 0.00 179.01 178.16 3i5y s SER 427 N -6.27 -0.22 0.00 3.06 1.04 -1.26 -4.39 113.70 105.65 3i5y s SER 427 Ca 0.06 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3i5y s SER 427 Cb 0.06 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3i5y s SER 427 CO 0.69 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3i5y n GLY 428 N -0.22 3.68 3.17 7.32 0.00 0.19 -4.80 105.19 114.53 3i5y n GLY 428 Ca -0.16 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 3i5y n GLY 428 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5y s ILE 429 N -2.00 2.43 -0.24 -0.61 1.01 -0.32 -0.82 121.20 120.65 3i5y s ILE 429 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 3i5y s ILE 429 Cb 0.00 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3i5y s ILE 429 CO 0.00 0.45 0.32 -0.22 0.00 0.00 0.00 174.94 175.49 3i5y s LEU 430 N 1.32 4.09 -0.27 2.97 2.96 -0.50 -0.47 118.68 128.78 3i5y s LEU 430 Ca 0.04 0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 3i5y s LEU 430 Cb -0.14 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.20 3i5y s LEU 430 CO -0.10 -0.08 0.04 -0.69 -1.32 0.00 0.00 176.35 174.20 3i5y s VAL 431 N 1.57 3.79 0.19 1.68 1.01 0.46 -0.59 120.40 128.50 3i5y s VAL 431 Ca 0.14 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 3i5y s VAL 431 Cb -0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3i5y s VAL 431 CO 0.08 0.21 0.33 0.00 0.00 0.00 0.00 175.10 175.72 3i5y n THR 433 N -0.27 0.00 0.65 0.00 -2.24 -1.17 -1.16 114.28 110.09 3i5y n THR 433 Ca -0.05 -0.52 0.04 0.00 -2.27 0.00 0.00 64.05 61.26 3i5y n THR 433 Cb 0.63 -1.45 0.24 0.00 -2.10 0.00 0.00 70.33 67.65 3i5y n THR 433 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i5y n ASP 434 N -3.12 0.00 -0.14 3.42 9.92 -1.26 -2.48 116.55 122.88 3i5y n ASP 434 Ca 0.06 -0.40 0.12 0.00 -0.53 0.00 0.00 54.79 54.05 3i5y n ASP 434 Cb 0.23 0.00 0.46 0.00 -0.64 0.00 0.00 41.12 41.17 3i5y n ASP 434 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 3i5y h VAL 435 N 0.00 0.88 -0.50 2.53 3.04 -1.92 -2.32 116.25 117.95 3i5y h VAL 435 Ca 0.00 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.48 3i5y h VAL 435 Cb 0.00 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 29.60 3i5y h VAL 435 CO 0.00 0.09 0.04 0.61 -1.01 0.00 0.00 177.57 177.30 3i5y n GLY 436 N -1.50 3.45 0.17 3.17 0.00 -1.04 -4.56 105.19 104.89 3i5y n GLY 436 Ca 0.12 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 3i5y n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5y h ALA 437 N 3.10 0.20 -3.30 4.61 0.00 -1.58 -3.44 119.26 118.85 3i5y h ALA 437 Ca 0.05 -0.73 -0.64 0.00 0.00 0.00 0.00 54.91 53.58 3i5y h ALA 437 Cb 1.88 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 19.47 3i5y h ALA 437 CO 0.45 0.77 -0.70 1.03 0.00 0.00 0.00 179.25 180.80 3i5y s ARG 438 N -3.17 3.57 0.00 0.00 0.52 -1.26 -3.23 118.95 115.38 3i5y s ARG 438 Ca -0.07 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3i5y s ARG 438 Cb 0.07 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.73 3i5y s ARG 438 CO 0.90 0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.85 3i5y n GLY 439 N 3.54 1.56 3.63 -3.53 0.00 -1.26 -4.90 105.19 104.24 3i5y n GLY 439 Ca -0.18 -0.15 -0.48 0.00 0.00 0.00 0.00 46.02 45.21 3i5y n GLY 439 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i5y n MET 440 N 0.00 1.68 -3.89 1.61 2.81 -1.26 -4.93 117.12 113.14 3i5y n MET 440 Ca 0.00 0.60 -0.34 0.00 -1.81 0.00 0.00 57.70 56.16 3i5y n MET 440 Cb 0.00 -2.28 -0.13 0.00 -0.71 0.00 0.00 33.22 30.10 3i5y n MET 440 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3i5y s ASP 441 N 0.56 5.03 -0.30 7.83 2.15 -1.26 -4.82 116.67 125.86 3i5y s ASP 441 Ca 0.78 -2.05 -0.02 0.00 0.43 0.00 0.00 52.55 51.69 3i5y s ASP 441 Cb -0.79 -1.74 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 3i5y s ASP 441 CO 0.44 -0.46 0.01 -0.36 -0.17 0.00 0.00 175.17 174.63 3i5y s PHE 442 N 1.04 3.27 0.46 -5.34 0.08 -1.26 -4.88 117.98 111.35 3i5y s PHE 442 Ca 0.09 -1.87 -0.25 0.00 0.12 0.00 0.00 56.93 55.01 3i5y s PHE 442 Cb -0.21 -2.14 -0.08 0.00 -0.57 0.00 0.00 43.02 40.02 3i5y s PHE 442 CO -0.06 -0.81 1.40 -2.14 -0.10 0.00 0.00 175.22 173.52 3i5y s PRO 443 N 1.25 3.65 -1.31 0.24 0.02 -1.26 -3.78 135.00 133.82 3i5y s PRO 443 Ca -0.05 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 3i5y s PRO 443 Cb -0.20 -2.61 0.01 0.00 0.02 0.00 0.00 34.50 31.72 3i5y s PRO 443 CO -0.01 -0.82 0.80 0.09 -0.33 0.00 0.00 177.00 176.73 3i5y n ASN 444 N -0.26 -1.82 -4.70 2.53 3.02 -1.26 -4.95 115.26 107.81 3i5y n ASN 444 Ca 0.06 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 3i5y n ASN 444 Cb 0.43 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.28 3i5y n ASN 444 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i5y s VAL 445 N -3.57 4.83 -0.02 2.41 1.01 -1.25 -4.75 120.40 119.06 3i5y s VAL 445 Ca 0.08 2.04 -0.20 0.00 0.00 0.00 0.00 61.98 63.90 3i5y s VAL 445 Cb -0.04 -4.31 -0.32 0.00 0.00 0.00 0.00 36.38 31.71 3i5y s VAL 445 CO 0.79 0.12 0.94 0.45 0.00 0.00 0.00 175.10 177.41 3i5y h HIS 446 N 6.87 0.69 -3.64 5.22 -0.00 -0.94 -3.38 115.15 119.97 3i5y h HIS 446 Ca -0.39 -0.50 -0.20 0.00 -0.00 0.00 0.00 60.37 59.29 3i5y h HIS 446 Cb 1.20 -0.03 -0.26 0.00 -0.00 0.00 0.00 27.41 28.33 3i5y h HIS 446 CO 0.69 1.38 -0.64 -1.21 -0.00 0.00 0.00 177.93 178.15 3i5y s GLU 447 N -2.53 0.16 -0.20 2.45 2.02 -1.16 -1.67 118.70 117.77 3i5y s GLU 447 Ca -0.12 -0.08 -0.05 0.00 0.02 0.00 0.00 54.97 54.74 3i5y s GLU 447 Cb 0.02 0.07 -0.02 0.00 0.10 0.00 0.00 34.13 34.29 3i5y s GLU 447 CO 0.87 -0.03 -0.01 0.08 0.02 0.00 0.00 175.26 176.19 3i5y s VAL 448 N -0.36 3.86 0.04 2.63 1.01 -0.69 -1.59 120.40 125.30 3i5y s VAL 448 Ca -0.04 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3i5y s VAL 448 Cb -0.03 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3i5y s VAL 448 CO 0.00 0.43 -0.07 -0.76 0.00 0.00 0.00 175.10 174.70 3i5y s LEU 449 N 1.00 3.16 -0.10 3.92 1.43 0.12 -1.90 118.68 126.31 3i5y s LEU 449 Ca 0.01 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3i5y s LEU 449 Cb -0.14 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3i5y s LEU 449 CO 0.01 0.24 -0.08 -1.10 0.23 0.00 0.00 176.35 175.66 3i5y s GLN 450 N -1.71 1.50 -0.52 1.70 -0.21 -0.66 -0.63 119.66 119.13 3i5y s GLN 450 Ca 0.19 -0.26 -0.17 0.00 0.02 0.00 0.00 55.36 55.14 3i5y s GLN 450 Cb -0.11 -1.52 0.10 0.00 1.00 0.00 0.00 33.01 32.48 3i5y s GLN 450 CO 0.10 -0.22 0.50 0.42 -2.12 0.00 0.00 175.29 173.98 3i5y s ILE 451 N 1.53 5.13 0.00 1.08 1.01 -0.84 0.28 121.20 129.39 3i5y s ILE 451 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3i5y s ILE 451 Cb -0.13 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.05 3i5y s ILE 451 CO -0.06 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.69 3i5y n GLY 452 N 5.23 -2.50 3.92 6.18 0.00 -0.73 -4.20 105.19 113.09 3i5y n GLY 452 Ca -0.12 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.51 3i5y n GLY 452 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i5y s VAL 453 N -0.48 5.02 0.84 1.61 -7.23 -1.26 -4.80 120.40 114.09 3i5y s VAL 453 Ca 0.00 -0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 59.95 3i5y s VAL 453 Cb 0.00 -3.82 0.09 0.00 0.56 0.00 0.00 36.38 33.22 3i5y s VAL 453 CO 0.00 -0.55 1.15 -2.16 -0.31 0.00 0.00 175.10 173.22 3i5y s PRO 454 N -4.16 1.76 0.26 4.82 0.04 -1.26 -4.69 135.00 131.76 3i5y s PRO 454 Ca 0.43 0.27 0.23 0.00 0.04 0.00 0.00 61.00 61.97 3i5y s PRO 454 Cb -0.10 -1.91 0.99 0.00 0.04 0.00 0.00 34.50 33.52 3i5y s PRO 454 CO 0.36 -1.77 1.69 -1.13 0.04 0.00 0.00 177.00 176.19 3i5y n SER 455 N -3.47 0.63 -3.52 6.66 3.41 -1.26 -4.74 113.62 111.33 3i5y n SER 455 Ca 0.07 0.67 -0.13 0.00 -0.26 0.00 0.00 58.87 59.23 3i5y n SER 455 Cb 0.59 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3i5y n SER 455 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3i5y s GLU 456 N -3.34 1.14 0.17 4.33 4.04 -1.26 -5.01 118.70 118.77 3i5y s GLU 456 Ca 0.03 -0.37 -0.14 0.00 0.04 0.00 0.00 54.97 54.54 3i5y s GLU 456 Cb 0.09 0.52 0.12 0.00 0.02 0.00 0.00 34.13 34.87 3i5y s GLU 456 CO 0.35 -0.45 1.77 1.25 -1.84 0.00 0.00 175.26 176.35 3i5y h LEU 457 N 2.43 0.29 -1.58 1.83 5.85 -1.96 -1.95 115.31 120.21 3i5y h LEU 457 Ca -0.32 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.55 3i5y h LEU 457 Cb 1.25 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3i5y h LEU 457 CO 0.41 0.21 0.45 0.00 -0.34 0.00 0.00 178.44 179.17 3i5y h ALA 458 N 1.26 2.02 0.00 1.25 0.00 -1.98 -2.22 119.26 119.59 3i5y h ALA 458 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i5y h ALA 458 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i5y h ALA 458 CO -0.16 -0.19 0.00 -0.91 0.00 0.00 0.00 179.25 177.99 3i5y h ASN 459 N 0.45 0.00 -0.18 0.00 4.21 -1.76 -1.22 115.58 117.08 3i5y h ASN 459 Ca 0.32 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.88 3i5y h ASN 459 Cb 0.65 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.80 3i5y h ASN 459 CO -0.10 0.00 -0.11 0.22 -1.29 0.00 0.00 177.43 176.15 3i5y h TYR 460 N 0.00 -0.27 -0.79 1.19 3.20 -1.50 -0.10 116.97 118.70 3i5y h TYR 460 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3i5y h TYR 460 Cb 0.24 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 3i5y h TYR 460 CO 0.00 -0.17 0.50 0.82 -1.64 0.00 0.00 178.16 177.67 3i5y h ILE 461 N -0.11 1.09 -0.03 1.81 2.04 -1.41 -2.64 117.51 118.26 3i5y h ILE 461 Ca 0.10 -0.33 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 3i5y h ILE 461 Cb 0.26 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3i5y h ILE 461 CO -0.24 0.17 -0.67 0.45 0.00 0.00 0.00 178.15 177.86 3i5y h HIS 462 N 0.95 0.73 -0.32 1.37 3.86 -1.48 -2.48 115.15 117.79 3i5y h HIS 462 Ca 0.32 -0.38 0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3i5y h HIS 462 Cb 0.05 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.35 3i5y h HIS 462 CO -0.03 1.19 -0.48 0.00 0.86 0.00 0.00 177.93 179.46 3i5y h ARG 463 N 0.07 -0.40 0.00 2.45 3.08 -0.91 -1.48 114.38 117.19 3i5y h ARG 463 Ca -0.08 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i5y h ARG 463 Cb 1.35 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 3i5y h ARG 463 CO 0.13 -0.27 -0.00 -0.84 -1.07 0.00 0.00 179.97 177.92 3i5y h ILE 464 N -0.42 0.00 0.00 2.04 3.07 -1.53 -2.20 117.51 118.48 3i5y h ILE 464 Ca 0.09 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 66.06 3i5y h ILE 464 Cb 0.61 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 3i5y h ILE 464 CO -0.53 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.18 3i5y n GLY 465 N -0.12 -0.80 0.22 0.16 0.00 -0.57 -2.62 105.19 101.46 3i5y n GLY 465 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.08 3i5y n GLY 465 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i5y h ARG 466 N 0.00 0.00 -6.03 1.61 2.47 -1.28 -3.42 114.38 107.72 3i5y h ARG 466 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 3i5y h ARG 466 Cb 0.13 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.38 3i5y h ARG 466 CO 0.00 0.00 -0.51 -0.08 0.56 0.00 0.00 179.97 179.94 3i5y s THR 467 N -3.50 2.72 -0.88 2.04 -1.32 -1.08 -4.63 115.64 109.01 3i5y s THR 467 Ca 0.03 -1.66 -0.03 0.00 -1.21 0.00 0.00 61.69 58.82 3i5y s THR 467 Cb 0.09 -2.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 3i5y s THR 467 CO 0.51 -0.10 0.75 0.00 -2.21 0.00 0.00 174.62 173.57 3i5y n ALA 468 N -1.22 -1.16 -2.81 11.08 0.00 -1.21 -4.92 120.51 120.27 3i5y n ALA 468 Ca -0.02 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 3i5y n ALA 468 Cb 0.62 -2.84 -0.07 0.00 0.00 0.00 0.00 19.45 17.17 3i5y n ALA 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i5y s ARG 469 N -5.40 3.16 -0.88 0.00 0.52 -1.26 -4.60 118.95 110.50 3i5y s ARG 469 Ca 0.19 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3i5y s ARG 469 Cb -0.08 -2.93 0.01 0.00 0.52 0.00 0.00 34.95 32.47 3i5y s ARG 469 CO 0.50 0.66 0.61 -1.13 0.02 0.00 0.00 175.30 175.97 3i5y n SER 470 N 1.20 -4.74 0.00 0.23 3.41 -0.78 -2.31 113.62 110.62 3i5y n SER 470 Ca -0.13 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3i5y n SER 470 Cb 0.53 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 3i5y n SER 470 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5y n GLY 471 N -1.71 2.93 3.87 5.00 0.00 -1.26 -5.00 105.19 109.02 3i5y n GLY 471 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 3i5y n GLY 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5y s LYS 472 N 0.00 2.66 0.67 1.61 -0.14 -0.98 -5.08 119.74 118.49 3i5y s LYS 472 Ca 0.00 0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 55.01 3i5y s LYS 472 Cb 0.00 -2.00 0.04 0.00 -1.68 0.00 0.00 37.83 34.19 3i5y s LYS 472 CO 0.00 -1.18 1.00 -1.83 -0.76 0.00 0.00 175.35 172.58 3i5y s GLU 473 N -5.33 2.54 -0.27 1.68 -1.05 -1.26 -4.16 118.70 110.85 3i5y s GLU 473 Ca 0.59 -0.03 -0.32 0.00 -0.15 0.00 0.00 54.97 55.06 3i5y s GLU 473 Cb -0.12 -2.17 0.18 0.00 -0.44 0.00 0.00 34.13 31.58 3i5y s GLU 473 CO 0.52 -1.04 1.33 0.20 0.95 0.00 0.00 175.26 177.22 3i5y s GLY 474 N -4.42 -0.03 0.20 -3.83 0.00 -1.26 -3.31 107.32 94.66 3i5y s GLY 474 Ca 0.58 2.47 0.08 0.00 0.00 0.00 0.00 44.72 47.85 3i5y s GLY 474 CO 0.46 0.94 -0.16 -0.56 0.00 0.00 0.00 173.10 173.78 3i5y s SER 475 N -1.36 2.72 -0.00 1.64 0.01 -0.67 -1.38 113.70 114.66 3i5y s SER 475 Ca 0.09 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 3i5y s SER 475 Cb -0.01 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.06 3i5y s SER 475 CO -0.06 -0.10 0.02 -0.94 0.41 0.00 0.00 173.24 172.57 3i5y s SER 476 N -3.08 0.06 -0.09 2.44 1.04 -0.65 -1.70 113.70 111.71 3i5y s SER 476 Ca 0.21 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3i5y s SER 476 Cb -0.03 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3i5y s SER 476 CO 0.08 -0.12 -0.08 -0.69 0.98 0.00 0.00 173.24 173.40 3i5y s VAL 477 N -0.53 0.99 -0.34 5.02 1.01 -0.80 -0.93 120.40 124.82 3i5y s VAL 477 Ca -0.06 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 3i5y s VAL 477 Cb -0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3i5y s VAL 477 CO -0.00 0.35 0.39 -0.22 0.00 0.00 0.00 175.10 175.61 3i5y s LEU 478 N 1.37 4.41 -0.44 3.92 2.96 0.01 -1.65 118.68 129.27 3i5y s LEU 478 Ca -0.02 -0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.55 3i5y s LEU 478 Cb -0.14 -2.38 0.04 0.00 0.50 0.00 0.00 46.19 44.21 3i5y s LEU 478 CO -0.04 -0.36 0.42 -0.36 -1.32 0.00 0.00 176.35 174.69 3i5y s PHE 479 N 2.08 3.19 0.27 5.38 0.08 0.14 -0.44 117.98 128.69 3i5y s PHE 479 Ca 0.13 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.64 3i5y s PHE 479 Cb -0.16 -2.95 -0.05 0.00 -0.57 0.00 0.00 43.02 39.29 3i5y s PHE 479 CO 0.12 -0.73 0.07 0.96 -0.10 0.00 0.00 175.22 175.53 3i5y s ILE 480 N 1.98 0.82 0.31 0.64 -4.36 -0.91 -1.77 121.20 117.91 3i5y s ILE 480 Ca 0.09 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.54 3i5y s ILE 480 Cb -0.19 -2.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 3i5y s ILE 480 CO 0.11 -0.07 0.36 0.00 0.24 0.00 0.00 174.94 175.59 3i5y h LYS 482 N 1.12 0.07 0.00 0.00 1.79 -1.01 -0.12 116.57 118.41 3i5y h LYS 482 Ca -0.47 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3i5y h LYS 482 Cb 1.25 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3i5y h LYS 482 CO 0.57 0.05 0.00 -0.25 -1.08 0.00 0.00 179.45 178.73 3i5y n ASP 483 N -5.38 0.00 -0.82 0.86 8.00 -1.26 -1.79 116.55 116.15 3i5y n ASP 483 Ca 0.23 0.45 0.12 0.00 0.71 0.00 0.00 54.79 56.30 3i5y n ASP 483 Cb 0.76 -0.48 0.25 0.00 -0.02 0.00 0.00 41.12 41.63 3i5y n ASP 483 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i5y n GLU 484 N -1.48 2.12 0.17 -1.24 1.02 -0.06 -4.54 120.64 116.64 3i5y n GLU 484 Ca 0.05 -1.65 0.12 0.00 -0.02 0.00 0.00 57.16 55.66 3i5y n GLU 484 Cb 0.19 -1.47 0.64 0.00 -0.02 0.00 0.00 31.44 30.79 3i5y n GLU 484 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3i5y h LEU 485 N 3.85 0.03 -1.92 -4.62 3.38 -1.39 -1.94 115.31 112.69 3i5y h LEU 485 Ca 0.00 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3i5y h LEU 485 Cb 0.82 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3i5y h LEU 485 CO 0.00 0.02 0.37 -0.65 0.09 0.00 0.00 178.44 178.26 3i5y h PRO 486 N 0.03 0.08 -0.28 1.13 0.11 -1.83 -0.17 132.00 131.08 3i5y h PRO 486 Ca 0.09 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.20 3i5y h PRO 486 Cb 0.31 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3i5y h PRO 486 CO -0.00 0.05 0.18 0.35 -0.21 0.00 0.00 178.00 178.37 3i5y h PHE 487 N 0.09 0.34 -0.64 0.65 3.57 -1.43 0.33 116.94 119.85 3i5y h PHE 487 Ca 0.25 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3i5y h PHE 487 Cb 0.87 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3i5y h PHE 487 CO -0.00 0.21 0.39 0.28 -2.23 0.00 0.00 178.31 176.96 3i5y h VAL 488 N 0.37 1.18 -0.61 1.41 2.07 -1.17 -1.53 116.25 117.97 3i5y h VAL 488 Ca 0.11 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3i5y h VAL 488 Cb -0.03 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 3i5y h VAL 488 CO -0.03 0.18 0.32 0.03 0.02 0.00 0.00 177.57 178.10 3i5y h ARG 489 N 0.86 0.87 -0.21 1.57 3.08 -1.08 -2.75 114.38 116.72 3i5y h ARG 489 Ca 0.23 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3i5y h ARG 489 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3i5y h ARG 489 CO -0.04 0.67 -0.01 1.49 -1.07 0.00 0.00 179.97 181.01 3i5y h GLU 490 N 0.84 0.31 -0.85 0.04 4.57 -0.51 -1.33 114.58 117.65 3i5y h GLU 490 Ca 0.21 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.41 3i5y h GLU 490 Cb 0.07 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 3i5y h GLU 490 CO -0.03 0.34 0.55 -0.07 -1.18 0.00 0.00 179.01 178.62 3i5y h LEU 491 N 0.30 0.82 0.05 1.64 3.38 -0.98 0.27 115.31 120.78 3i5y h LEU 491 Ca 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i5y h LEU 491 Cb 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i5y h LEU 491 CO 0.01 0.52 -0.02 -0.33 0.09 0.00 0.00 178.44 178.70 3i5y h GLU 492 N 0.92 -0.06 0.03 1.13 5.08 -1.22 0.03 114.58 120.50 3i5y h GLU 492 Ca 0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3i5y h GLU 492 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3i5y h GLU 492 CO -0.14 0.46 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.88 3i5y h ASP 493 N -0.62 -0.04 0.57 1.42 5.19 -1.05 -1.61 116.42 120.28 3i5y h ASP 493 Ca -0.01 -0.22 -0.24 0.00 -0.62 0.00 0.00 57.03 55.94 3i5y h ASP 493 Cb 0.55 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 3i5y h ASP 493 CO 0.01 0.20 -1.60 0.00 -3.12 0.00 0.00 179.24 174.73 3i5y n ALA 494 N -2.23 1.68 -0.10 3.45 0.00 0.93 -4.52 120.51 119.72 3i5y n ALA 494 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3i5y n ALA 494 Cb 0.15 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3i5y n ALA 494 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i5y n LYS 495 N -2.97 2.24 -2.27 0.00 4.76 -1.00 -5.03 118.16 113.90 3i5y n LYS 495 Ca -0.14 -0.22 -0.14 0.00 -2.87 0.00 0.00 58.31 54.94 3i5y n LYS 495 Cb 0.97 -0.68 -0.01 0.00 -1.84 0.00 0.00 35.03 33.47 3i5y n LYS 495 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i5y n ASN 496 N -0.38 -4.40 -4.46 4.39 5.15 -0.49 -4.49 115.26 110.58 3i5y n ASN 496 Ca 0.00 -0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.57 3i5y n ASN 496 Cb 0.02 -3.55 -0.11 0.00 -0.53 0.00 0.00 39.78 35.61 3i5y n ASN 496 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i5y s ILE 497 N -2.72 4.85 -0.40 -1.44 1.01 -0.12 -4.64 121.20 117.74 3i5y s ILE 497 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3i5y s ILE 497 Cb 0.00 -3.53 0.11 0.00 0.01 0.00 0.00 42.46 39.05 3i5y s ILE 497 CO 0.00 -0.03 0.16 -0.69 0.00 0.00 0.00 174.94 174.38 3i5y s VAL 498 N 1.64 2.88 -0.30 2.92 1.01 -1.26 -3.09 120.40 124.20 3i5y s VAL 498 Ca 0.05 -2.27 -0.29 0.00 0.00 0.00 0.00 61.98 59.47 3i5y s VAL 498 Cb -0.18 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3i5y s VAL 498 CO 0.08 -0.67 1.55 -0.63 0.00 0.00 0.00 175.10 175.43 3i5y s ILE 499 N 0.92 3.78 0.01 2.22 1.01 -1.26 -4.92 121.20 122.95 3i5y s ILE 499 Ca 0.10 0.84 -0.21 0.00 0.00 0.00 0.00 60.65 61.39 3i5y s ILE 499 Cb -0.21 -3.88 -0.11 0.00 0.01 0.00 0.00 42.46 38.26 3i5y s ILE 499 CO -0.05 -0.45 0.99 0.00 0.00 0.00 0.00 174.94 175.42 3i5y h ALA 500 N 10.88 -0.88 -1.94 9.38 0.00 -1.98 -3.43 119.26 131.30 3i5y h ALA 500 Ca -0.31 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 3i5y h ALA 500 Cb 1.14 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3i5y h ALA 500 CO 1.03 -0.82 1.07 0.15 0.00 0.00 0.00 179.25 180.67 3i5y s LYS 501 N -4.12 3.75 0.06 0.00 1.02 -1.25 -4.99 119.74 114.21 3i5y s LYS 501 Ca -0.11 1.32 0.05 0.00 0.02 0.00 0.00 55.97 57.25 3i5y s LYS 501 Cb 0.01 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 3i5y s LYS 501 CO 0.33 -1.34 -0.15 -0.65 -0.92 0.00 0.00 175.35 172.62 3i5y s GLN 502 N 4.62 0.88 0.03 1.68 -0.21 -1.26 -0.41 119.66 124.99 3i5y s GLN 502 Ca 0.64 -0.89 -0.28 0.00 0.02 0.00 0.00 55.36 54.86 3i5y s GLN 502 Cb -0.19 -0.91 0.08 0.00 1.00 0.00 0.00 33.01 32.99 3i5y s GLN 502 CO 0.28 0.21 0.69 -1.83 -2.12 0.00 0.00 175.29 172.52 3i5y s GLU 503 N -1.50 1.10 0.55 2.91 -1.05 -0.91 -4.98 118.70 114.82 3i5y s GLU 503 Ca -0.00 -0.07 -0.06 0.00 -0.15 0.00 0.00 54.97 54.68 3i5y s GLU 503 Cb -0.09 0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 34.10 3i5y s GLU 503 CO 0.02 -0.41 0.88 0.15 0.95 0.00 0.00 175.26 176.84 3i5y s LYS 504 N -2.32 3.24 -0.08 -4.83 3.01 -1.26 -0.39 119.74 117.12 3i5y s LYS 504 Ca -0.05 0.18 -0.07 0.00 -1.01 0.00 0.00 55.97 55.02 3i5y s LYS 504 Cb -0.00 -2.28 0.02 0.00 -1.01 0.00 0.00 37.83 34.55 3i5y s LYS 504 CO -0.01 -0.50 0.20 -0.47 0.51 0.00 0.00 175.35 175.09 3i5y s TYR 505 N -2.92 -0.23 -0.05 3.18 5.04 -0.98 -4.77 117.35 116.62 3i5y s TYR 505 Ca 0.52 0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 55.70 3i5y s TYR 505 Cb -0.10 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.30 3i5y s TYR 505 CO 0.46 -0.12 0.01 -2.00 -1.34 0.00 0.00 175.55 172.56 3i5y s GLU 506 N 0.25 0.43 0.29 4.97 2.56 -1.26 -4.18 118.70 121.75 3i5y s GLU 506 Ca -0.01 0.12 -0.29 0.00 0.00 0.00 0.00 54.97 54.79 3i5y s GLU 506 Cb -0.03 -0.74 -0.10 0.00 2.00 0.00 0.00 34.13 35.27 3i5y s GLU 506 CO -0.01 -0.24 1.23 -1.25 -0.56 0.00 0.00 175.26 174.43 3i5y s PRO 507 N 1.63 4.47 0.71 4.30 0.04 -1.26 -5.04 135.00 139.85 3i5y s PRO 507 Ca -0.01 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 3i5y s PRO 507 Cb -0.13 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.30 3i5y s PRO 507 CO -0.03 -0.04 1.08 -1.54 0.04 0.00 0.00 177.00 176.50 3i5y s SER 508 N -0.51 5.07 0.44 6.66 1.04 -1.26 -4.96 113.70 120.18 3i5y s SER 508 Ca 0.48 1.75 0.17 0.00 0.48 0.00 0.00 55.95 58.84 3i5y s SER 508 Cb -0.36 -2.51 1.01 0.00 0.10 0.00 0.00 66.02 64.25 3i5y s SER 508 CO 0.46 -1.65 1.95 -0.33 0.98 0.00 0.00 173.24 174.65 3i5y h GLU 509 N -0.67 0.00 -0.22 4.02 4.39 -1.99 -2.91 114.58 117.20 3i5y h GLU 509 Ca -0.44 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.18 3i5y h GLU 509 Cb 1.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3i5y h GLU 509 CO 0.55 0.23 -0.16 0.93 -1.16 0.00 0.00 179.01 179.40 3i5y h GLU 510 N 0.00 0.50 -0.73 2.33 3.07 -1.99 -0.86 114.58 116.91 3i5y h GLU 510 Ca -0.00 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.55 3i5y h GLU 510 Cb 0.45 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 3i5y h GLU 510 CO 0.03 0.81 0.20 0.97 -1.40 0.00 0.00 179.01 179.61 3i5y h ILE 511 N 0.19 1.26 -0.63 3.13 6.09 -1.94 0.16 117.51 125.77 3i5y h ILE 511 Ca 0.04 -0.95 0.01 0.00 -1.37 0.00 0.00 64.86 62.60 3i5y h ILE 511 Cb 0.69 0.49 -0.03 0.00 0.47 0.00 0.00 36.82 38.43 3i5y h ILE 511 CO 0.04 0.37 0.41 0.11 -3.07 0.00 0.00 178.15 176.01 3i5y h LYS 512 N 1.09 0.81 -0.04 2.19 1.57 -1.40 -0.74 116.57 120.05 3i5y h LYS 512 Ca 0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3i5y h LYS 512 Cb 0.35 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3i5y h LYS 512 CO -0.00 0.53 0.01 0.77 -0.57 0.00 0.00 179.45 180.19 3i5y h SER 513 N 0.83 0.07 -0.53 0.86 0.02 -0.67 -0.39 113.55 113.73 3i5y h SER 513 Ca 0.24 -0.26 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3i5y h SER 513 Cb -0.07 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3i5y h SER 513 CO -0.07 0.31 0.21 -0.08 -1.14 0.00 0.00 176.83 176.07 3i5y h GLU 514 N -0.18 0.40 0.02 3.45 4.81 -0.51 -1.48 114.58 121.09 3i5y h GLU 514 Ca 0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i5y h GLU 514 Cb 0.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3i5y h GLU 514 CO 0.00 0.26 -0.01 0.28 -0.73 0.00 0.00 179.01 178.81 3i5y h VAL 515 N 0.41 1.45 0.00 0.32 2.07 -1.13 -3.31 116.25 116.06 3i5y h VAL 515 Ca 0.26 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.15 3i5y h VAL 515 Cb 0.26 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3i5y h VAL 515 CO -0.24 0.39 -0.44 -0.07 0.02 0.00 0.00 177.57 177.22 3i5y h LEU 516 N -0.70 0.00 -0.31 2.57 3.38 -0.99 -3.02 115.31 116.24 3i5y h LEU 516 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3i5y h LEU 516 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3i5y h LEU 516 CO 0.00 0.44 -0.67 -0.33 0.09 0.00 0.00 178.44 177.97 3i5y h GLU 517 N 0.00 0.00 0.00 1.13 5.08 -1.41 -3.12 114.58 116.25 3i5y h GLU 517 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3i5y h GLU 517 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3i5y h GLU 517 CO 0.06 0.67 -0.38 0.00 -1.00 0.00 0.00 179.01 178.37 3i5y h ALA 518 N 1.33 0.84 -2.23 3.43 0.00 -1.61 -3.45 119.26 117.57 3i5y h ALA 518 Ca -0.01 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 53.97 3i5y h ALA 518 Cb 1.38 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 19.16 3i5y h ALA 518 CO 0.09 0.47 0.83 0.28 0.00 0.00 0.00 179.25 180.92 3i5y n VAL 519 N -3.32 0.08 0.62 0.00 0.31 -1.17 -4.90 118.33 109.94 3i5y n VAL 519 Ca 0.01 -0.01 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3i5y n VAL 519 Cb 0.60 -1.56 0.05 0.00 -0.91 0.00 0.00 33.84 32.02 3i5y n VAL 519 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3i5y n THR 520 N 3.62 0.00 -2.44 2.52 -2.24 -1.26 -5.02 114.28 109.46 3i5y n THR 520 Ca 0.18 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 3i5y n THR 520 Cb 0.29 1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 3i5y n THR 520 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i5y s GLU 521 N -1.31 4.52 0.80 -0.78 8.01 -1.26 -5.03 118.70 123.65 3i5y s GLU 521 Ca 0.16 1.79 -0.11 0.00 0.01 0.00 0.00 54.97 56.83 3i5y s GLU 521 Cb 0.12 -3.27 0.08 0.00 -4.31 0.00 0.00 34.13 26.74 3i5y s GLU 521 CO 0.21 -0.05 1.10 -1.21 0.01 0.00 0.00 175.26 175.32 3i5y s GLU 522 N -0.08 2.00 0.48 1.61 2.02 -1.26 -4.81 118.70 118.66 3i5y s GLU 522 Ca 0.52 1.16 0.15 0.00 0.02 0.00 0.00 54.97 56.82 3i5y s GLU 522 Cb -0.31 -1.87 1.15 0.00 0.10 0.00 0.00 34.13 33.21 3i5y s GLU 522 CO 0.35 -1.82 2.07 -1.35 0.02 0.00 0.00 175.26 174.53 3i5y h PRO 523 N -1.26 0.20 -0.53 0.39 0.11 -1.99 -0.84 132.00 128.08 3i5y h PRO 523 Ca -0.44 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3i5y h PRO 523 Cb 1.24 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3i5y h PRO 523 CO 0.51 0.13 0.34 0.93 -0.21 0.00 0.00 178.00 179.70 3i5y h GLU 524 N 0.20 0.68 -0.63 1.05 3.07 -2.00 -0.64 114.58 116.32 3i5y h GLU 524 Ca 0.13 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 3i5y h GLU 524 Cb 0.26 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 3i5y h GLU 524 CO -0.02 0.45 0.19 -0.44 -1.40 0.00 0.00 179.01 177.79 3i5y h ASP 525 N 0.70 0.92 -0.37 1.42 3.32 -1.55 -2.63 116.42 118.23 3i5y h ASP 525 Ca 0.20 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3i5y h ASP 525 Cb -0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3i5y h ASP 525 CO -0.05 0.89 -0.03 0.40 -1.72 0.00 0.00 179.24 178.73 3i5y h ILE 526 N 0.90 1.24 0.15 0.35 1.08 -1.04 -2.37 117.51 117.84 3i5y h ILE 526 Ca 0.20 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 3i5y h ILE 526 Cb 0.30 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3i5y h ILE 526 CO -0.01 0.36 -0.07 -1.28 -0.69 0.00 0.00 178.15 176.46 3i5y h SER 527 N 0.72 -0.17 -0.82 1.72 0.87 -0.98 -1.90 113.55 112.98 3i5y h SER 527 Ca 0.14 -0.05 0.14 0.00 -1.23 0.00 0.00 61.79 60.78 3i5y h SER 527 Cb 0.49 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.40 3i5y h SER 527 CO 0.02 -0.06 0.41 0.44 -0.53 0.00 0.00 176.83 177.11 3i5y h ASP 528 N -0.28 0.48 -0.09 6.23 3.32 -1.26 0.25 116.42 125.07 3i5y h ASP 528 Ca -0.02 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3i5y h ASP 528 Cb 0.22 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3i5y h ASP 528 CO 0.03 0.21 0.03 0.40 -1.72 0.00 0.00 179.24 178.19 3i5y h ILE 529 N 0.59 1.17 -0.47 0.35 2.04 -1.31 -1.00 117.51 118.88 3i5y h ILE 529 Ca 0.44 -0.52 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 3i5y h ILE 529 Cb 0.62 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3i5y h ILE 529 CO -0.36 0.15 -0.21 0.58 0.00 0.00 0.00 178.15 178.31 3i5y h VAL 530 N -0.04 1.27 -0.51 1.67 2.07 -0.86 -2.44 116.25 117.42 3i5y h VAL 530 Ca 0.03 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.19 3i5y h VAL 530 Cb 0.21 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3i5y h VAL 530 CO -0.00 0.47 0.33 0.40 0.02 0.00 0.00 177.57 178.79 3i5y h ILE 531 N 0.83 1.12 -0.68 4.57 2.04 -0.46 -0.39 117.51 124.53 3i5y h ILE 531 Ca 0.11 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.81 3i5y h ILE 531 Cb 0.77 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3i5y h ILE 531 CO 0.06 0.12 0.45 0.77 0.00 0.00 0.00 178.15 179.55 3i5y h SER 532 N 0.67 0.59 -0.17 1.72 4.64 -0.95 -2.01 113.55 118.04 3i5y h SER 532 Ca 0.19 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 3i5y h SER 532 Cb -0.06 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3i5y h SER 532 CO -0.05 0.38 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.81 3i5y h LEU 533 N 0.67 0.76 0.07 5.97 3.38 -0.77 -1.51 115.31 123.88 3i5y h LEU 533 Ca 0.30 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i5y h LEU 533 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i5y h LEU 533 CO -0.10 1.07 -0.04 0.40 0.09 0.00 0.00 178.44 179.87 3i5y h ILE 534 N 0.58 0.93 -0.36 1.22 2.04 -0.42 -0.00 117.51 121.50 3i5y h ILE 534 Ca 0.05 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 3i5y h ILE 534 Cb 0.95 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3i5y h ILE 534 CO 0.09 0.00 0.04 0.28 0.00 0.00 0.00 178.15 178.56 3i5y h SER 535 N -0.10 -0.06 0.15 1.72 0.02 -1.39 0.28 113.55 114.17 3i5y h SER 535 Ca -0.01 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3i5y h SER 535 Cb 0.08 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3i5y h SER 535 CO 0.02 0.01 -0.18 -1.28 -1.14 0.00 0.00 176.83 174.25 3i5y h SER 536 N 0.15 -0.49 0.49 3.07 0.87 -1.03 -2.15 113.55 114.46 3i5y h SER 536 Ca 0.17 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3i5y h SER 536 Cb 0.22 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3i5y h SER 536 CO -0.25 -0.27 -0.31 1.88 -0.53 0.00 0.00 176.83 177.35 3i5y h TYR 537 N -0.38 0.00 -0.68 2.24 -1.99 -0.76 -2.76 116.97 112.64 3i5y h TYR 537 Ca 0.01 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 3i5y h TYR 537 Cb 0.37 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 3i5y h TYR 537 CO -0.16 0.31 0.22 -0.09 -0.00 0.00 0.00 178.16 178.45 3i5y h ARG 538 N 0.00 1.03 -0.33 4.88 2.43 -0.02 -3.06 114.38 119.32 3i5y h ARG 538 Ca -0.00 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 3i5y h ARG 538 Cb 0.64 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3i5y h ARG 538 CO 0.04 0.88 0.14 1.03 -1.51 0.00 0.00 179.97 180.54 3i5y h SER 539 N 1.00 0.41 -0.41 -3.80 0.87 -1.09 -3.21 113.55 107.32 3i5y h SER 539 Ca 0.22 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3i5y h SER 539 Cb 0.27 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3i5y h SER 539 CO -0.01 0.37 0.00 0.00 -0.53 0.00 0.00 176.83 176.66 3i5y h ILE 541 N 2.59 0.92 -0.42 0.00 2.04 -1.55 0.25 117.51 121.34 3i5y h ILE 541 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3i5y h ILE 541 Cb 1.20 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3i5y h ILE 541 CO 0.15 0.00 0.14 0.11 0.00 0.00 0.00 178.15 178.55 3i5y h LYS 542 N -0.09 0.65 -0.74 2.37 1.57 -1.85 0.61 116.57 119.09 3i5y h LYS 542 Ca -0.01 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3i5y h LYS 542 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3i5y h LYS 542 CO 0.01 0.63 0.23 1.49 -0.57 0.00 0.00 179.45 181.24 3i5y h GLU 543 N 0.54 1.15 -0.73 3.15 4.81 -1.81 -2.99 114.58 118.70 3i5y h GLU 543 Ca 0.14 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3i5y h GLU 543 Cb 0.25 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3i5y h GLU 543 CO -0.01 0.98 0.00 0.66 -0.73 0.00 0.00 179.01 179.92 3i5y n TYR 544 N -4.26 1.00 -3.81 0.92 4.01 0.06 -4.97 117.16 110.12 3i5y n TYR 544 Ca 0.06 -0.51 -0.23 0.00 -0.16 0.00 0.00 57.90 57.06 3i5y n TYR 544 Cb 0.23 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 3i5y n TYR 544 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3i5y n ARG 545 N 1.61 -4.26 -2.62 -0.72 1.74 -0.06 -3.71 116.66 108.64 3i5y n ARG 545 Ca 0.24 0.53 -0.30 0.00 -0.77 0.00 0.00 57.85 57.56 3i5y n ARG 545 Cb 0.63 -4.92 -0.02 0.00 -1.02 0.00 0.00 32.46 27.13 3i5y n ARG 545 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i5y s PHE 546 N -3.78 3.51 -0.45 -1.55 0.08 0.01 -4.82 117.98 110.97 3i5y s PHE 546 Ca 0.01 1.09 -0.23 0.00 0.12 0.00 0.00 56.93 57.93 3i5y s PHE 546 Cb -0.01 -2.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.97 3i5y s PHE 546 CO 0.84 -0.25 0.76 0.45 -0.10 0.00 0.00 175.22 176.92 3i5y s SER 547 N -3.46 6.39 0.27 1.36 0.15 -1.26 -4.84 113.70 112.31 3i5y s SER 547 Ca 0.52 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.99 3i5y s SER 547 Cb -0.10 -2.37 0.50 0.00 -1.71 0.00 0.00 66.02 62.33 3i5y s SER 547 CO 0.37 -0.91 1.85 -0.08 1.20 0.00 0.00 173.24 175.67 3i5y h GLU 548 N 8.98 1.01 0.00 5.44 4.81 -1.96 0.23 114.58 133.08 3i5y h GLU 548 Ca -0.25 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3i5y h GLU 548 Cb 1.09 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 3i5y h GLU 548 CO 0.96 0.67 -0.07 0.07 -0.73 0.00 0.00 179.01 179.90 3i5y h ARG 549 N 1.04 0.00 0.00 1.92 0.11 -2.00 -2.90 114.38 112.54 3i5y h ARG 549 Ca 0.47 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 60.14 3i5y h ARG 549 Cb 0.38 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.40 3i5y h ARG 549 CO -0.24 0.07 -2.30 0.54 0.10 0.00 0.00 179.97 178.15 3i5y n ARG 550 N -3.21 0.58 -0.15 0.08 1.74 -0.72 -4.53 116.66 110.45 3i5y n ARG 550 Ca 0.00 0.30 -0.09 0.00 -0.77 0.00 0.00 57.85 57.30 3i5y n ARG 550 Cb 0.33 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3i5y n ARG 550 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3i5y h ILE 551 N -1.00 1.19 -0.17 0.55 6.09 -0.67 -2.94 117.51 120.57 3i5y h ILE 551 Ca -0.62 -0.56 -0.22 0.00 -1.37 0.00 0.00 64.86 62.09 3i5y h ILE 551 Cb 1.54 0.75 0.01 0.00 0.47 0.00 0.00 36.82 39.59 3i5y h ILE 551 CO -0.38 0.21 -0.74 -0.07 -3.07 0.00 0.00 178.15 174.10 3i5y h LEU 552 N 0.57 0.94 -1.32 2.19 3.38 -1.72 -2.03 115.31 117.33 3i5y h LEU 552 Ca 0.15 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 3i5y h LEU 552 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3i5y h LEU 552 CO -0.02 1.41 -0.10 -0.65 0.09 0.00 0.00 178.44 179.17 3i5y h PRO 553 N 0.54 0.33 -0.54 1.13 0.11 -1.78 -1.87 132.00 129.93 3i5y h PRO 553 Ca -0.05 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 65.92 3i5y h PRO 553 Cb 1.37 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3i5y h PRO 553 CO 0.15 0.45 0.09 1.49 -0.21 0.00 0.00 178.00 179.98 3i5y h GLU 554 N 0.32 0.90 -0.38 1.05 4.57 -1.32 -0.80 114.58 118.91 3i5y h GLU 554 Ca 0.06 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3i5y h GLU 554 Cb 0.38 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3i5y h GLU 554 CO 0.02 0.87 0.07 0.82 -1.18 0.00 0.00 179.01 179.61 3i5y h ILE 555 N 0.79 1.24 -0.03 2.32 1.08 -1.22 -3.02 117.51 118.66 3i5y h ILE 555 Ca 0.17 -0.83 -0.05 0.00 -0.39 0.00 0.00 64.86 63.75 3i5y h ILE 555 Cb 0.40 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 3i5y h ILE 555 CO 0.01 0.28 -0.24 0.00 -0.69 0.00 0.00 178.15 177.51 3i5y h ALA 556 N 0.92 1.55 0.00 1.87 0.00 -1.22 -2.04 119.26 120.35 3i5y h ALA 556 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i5y h ALA 556 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i5y h ALA 556 CO 0.01 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 3i5y n SER 557 N -4.24 0.34 -0.24 0.00 3.41 -0.32 -2.17 113.62 110.40 3i5y n SER 557 Ca -0.02 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 3i5y n SER 557 Cb 0.31 -0.65 0.41 0.00 -0.26 0.00 0.00 64.21 64.02 3i5y n SER 557 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i5y h THR 558 N 0.00 0.82 -0.39 6.66 2.02 -1.37 -2.30 112.91 118.36 3i5y h THR 558 Ca 0.00 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.01 3i5y h THR 558 Cb 0.33 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3i5y h THR 558 CO 0.00 0.11 0.17 0.22 0.37 0.00 0.00 175.52 176.39 3i5y h TYR 559 N 0.62 0.30 -0.64 3.16 3.20 -1.63 -1.87 116.97 120.11 3i5y h TYR 559 Ca 0.43 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.22 3i5y h TYR 559 Cb 0.76 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3i5y h TYR 559 CO -0.00 0.14 0.05 0.78 -1.64 0.00 0.00 178.16 177.49 3i5y h GLY 560 N 0.35 1.18 0.98 1.82 0.00 -1.62 -2.62 103.07 103.15 3i5y h GLY 560 Ca 0.17 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 3i5y h GLY 560 CO -0.15 0.76 0.09 -2.08 0.00 0.00 0.00 176.54 175.17 3i5y h VAL 561 N 1.01 1.25 -0.21 4.60 2.07 -1.15 0.16 116.25 123.97 3i5y h VAL 561 Ca 0.19 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 3i5y h VAL 561 Cb 0.51 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3i5y h VAL 561 CO 0.02 0.32 -0.35 -0.07 0.02 0.00 0.00 177.57 177.51 3i5y h LEU 562 N 0.68 0.47 -0.24 2.57 3.38 -1.32 -1.66 115.31 119.19 3i5y h LEU 562 Ca 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i5y h LEU 562 Cb 0.37 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i5y h LEU 562 CO 0.01 0.79 -0.08 0.18 0.09 0.00 0.00 178.44 179.43 3i5y n LEU 563 N -4.06 0.46 -1.28 1.67 4.77 -0.99 -4.95 117.00 112.61 3i5y n LEU 563 Ca -0.01 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 3i5y n LEU 563 Cb 0.47 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3i5y n LEU 563 CO 0.43 0.08 -0.14 -3.20 -1.33 0.00 0.00 177.39 173.23 3i5y n ASN 564 N -0.90 -3.71 -3.56 -1.43 5.15 -0.02 -5.00 115.26 105.80 3i5y n ASN 564 Ca 0.16 -0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.85 3i5y n ASN 564 Cb 0.26 -2.91 -0.12 0.00 -0.53 0.00 0.00 39.78 36.48 3i5y n ASN 564 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i5y s ASP 565 N -2.50 2.97 0.49 1.20 -1.08 0.35 -5.00 116.67 113.10 3i5y s ASP 565 Ca 0.00 -2.62 0.24 0.00 -0.52 0.00 0.00 52.55 49.65 3i5y s ASP 565 Cb 0.00 -0.69 1.30 0.00 -1.46 0.00 0.00 42.92 42.07 3i5y s ASP 565 CO 0.00 -0.25 1.92 -0.65 0.52 0.00 0.00 175.17 176.71 3i5y h PRO 566 N 6.52 0.15 -0.02 4.34 0.11 -1.93 -1.09 132.00 140.09 3i5y h PRO 566 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3i5y h PRO 566 Cb 0.93 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3i5y h PRO 566 CO 0.39 0.10 -0.02 0.00 -0.21 0.00 0.00 178.00 178.26 3i5y n GLN 567 N -4.39 1.86 -2.55 1.05 10.64 -1.26 -4.80 117.38 117.93 3i5y n GLN 567 Ca 0.16 -1.28 -0.40 0.00 -1.83 0.00 0.00 57.00 53.64 3i5y n GLN 567 Cb 0.74 -1.47 -0.05 0.00 -0.86 0.00 0.00 30.24 28.60 3i5y n GLN 567 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 3i5y s LEU 568 N -2.02 4.56 0.32 2.61 2.96 -0.41 -5.06 118.68 121.64 3i5y s LEU 568 Ca 0.34 2.14 0.09 0.00 -0.22 0.00 0.00 54.13 56.49 3i5y s LEU 568 Cb 0.21 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 3i5y s LEU 568 CO 0.33 -0.09 0.01 -0.54 -1.32 0.00 0.00 176.35 174.74 3i5y s LYS 569 N -1.09 2.12 -0.14 1.98 1.02 -1.26 -4.29 119.74 118.08 3i5y s LYS 569 Ca 0.45 -1.67 -0.29 0.00 0.02 0.00 0.00 55.97 54.48 3i5y s LYS 569 Cb -0.30 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 3i5y s LYS 569 CO 0.37 0.19 1.31 0.42 -0.92 0.00 0.00 175.35 176.72 3i5y s ILE 570 N -2.47 4.18 -0.01 2.17 1.01 -1.20 -4.55 121.20 120.32 3i5y s ILE 570 Ca 0.34 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 3i5y s ILE 570 Cb -0.02 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 3i5y s ILE 570 CO 0.19 -0.12 1.50 -2.16 0.00 0.00 0.00 174.94 174.35 3i5y s PRO 571 N 3.48 4.24 0.25 2.79 0.04 -1.26 -1.33 135.00 143.22 3i5y s PRO 571 Ca 0.57 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.68 3i5y s PRO 571 Cb -0.23 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 3i5y s PRO 571 CO 0.17 -0.67 0.22 0.14 0.04 0.00 0.00 177.00 176.90 3i5y s VAL 572 N 2.87 0.00 0.27 -0.36 -7.23 -0.08 -4.88 120.40 110.98 3i5y s VAL 572 Ca 0.67 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.96 3i5y s VAL 572 Cb -0.33 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 3i5y s VAL 572 CO 0.27 0.00 0.37 -0.44 -0.31 0.00 0.00 175.10 174.99 3i5y s SER 573 N -3.22 6.12 0.25 4.85 0.01 -1.26 -1.68 113.70 118.77 3i5y s SER 573 Ca 0.38 -0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.56 3i5y s SER 573 Cb 0.05 -1.62 0.31 0.00 0.21 0.00 0.00 66.02 64.96 3i5y s SER 573 CO 0.17 -0.17 1.76 -0.09 0.41 0.00 0.00 173.24 175.32 3i5y h ARG 574 N 1.13 0.87 -0.52 12.44 9.65 -1.97 -1.76 114.38 134.21 3i5y h ARG 574 Ca -0.50 -0.22 -0.02 0.00 -1.10 0.00 0.00 59.98 58.15 3i5y h ARG 574 Cb 1.24 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 3i5y h ARG 574 CO 0.59 0.83 0.24 0.00 2.80 0.00 0.00 179.97 184.43 3i5y h ARG 575 N 0.82 0.74 -0.22 0.20 -0.00 -1.99 -1.23 114.38 112.70 3i5y h ARG 575 Ca 0.17 -0.09 -0.20 0.00 -0.50 0.00 0.00 59.98 59.36 3i5y h ARG 575 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.24 3i5y h ARG 575 CO 0.01 0.58 -0.65 0.35 0.00 0.00 0.00 179.97 180.26 3i5y h PHE 576 N 0.74 1.03 -0.22 3.04 3.57 -1.87 -3.00 116.94 120.23 3i5y h PHE 576 Ca 0.18 -0.41 -0.04 0.00 3.53 0.00 0.00 57.97 61.24 3i5y h PHE 576 Cb 0.09 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3i5y h PHE 576 CO 0.01 1.23 -0.05 1.25 -2.23 0.00 0.00 178.31 178.52 3i5y h LEU 577 N 0.58 0.30 -0.69 0.59 5.85 -0.96 -2.66 115.31 118.32 3i5y h LEU 577 Ca -0.01 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 3i5y h LEU 577 Cb 1.26 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3i5y h LEU 577 CO 0.14 0.40 -0.53 0.44 -0.34 0.00 0.00 178.44 178.54 3i5y h ASP 578 N 0.32 0.00 -0.39 1.25 5.19 -1.21 -2.73 116.42 118.85 3i5y h ASP 578 Ca 0.07 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.38 3i5y h ASP 578 Cb 0.29 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 3i5y h ASP 578 CO 0.01 0.53 -0.14 0.11 -3.12 0.00 0.00 179.24 176.64 3i5y h LYS 579 N 0.00 0.86 0.00 3.56 6.56 -1.33 -2.92 116.57 123.29 3i5y h LYS 579 Ca -0.01 -0.31 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 3i5y h LYS 579 Cb 1.10 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 3i5y h LYS 579 CO 0.07 0.94 0.00 -0.07 -2.06 0.00 0.00 179.45 178.33 3i5y h LEU 580 N 0.76 0.00 0.11 2.94 4.07 -1.36 -3.47 115.31 118.36 3i5y h LEU 580 Ca 0.12 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 3i5y h LEU 580 Cb 0.65 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.40 3i5y h LEU 580 CO 0.05 0.00 -0.14 0.61 -1.08 0.00 0.00 178.44 177.87 3i5y n GLY 581 N 0.24 0.32 0.13 0.83 0.00 -1.05 -4.96 105.19 100.70 3i5y n GLY 581 Ca 0.01 -0.59 0.04 0.00 0.00 0.00 0.00 46.02 45.48 3i5y n GLY 581 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5y n LEU 582 N -1.05 1.53 0.26 0.99 4.77 -1.10 -4.79 117.00 117.61 3i5y n LEU 582 Ca -0.04 -2.04 0.12 0.00 -0.03 0.00 0.00 56.01 54.03 3i5y n LEU 582 Cb 0.53 -0.18 0.72 0.00 -2.33 0.00 0.00 43.42 42.16 3i5y n LEU 582 CO 0.10 0.48 0.98 0.77 -1.33 0.00 0.00 177.39 178.40 3i5y h SER 583 N 0.00 0.00 -0.44 -1.43 4.64 -1.91 -1.61 113.55 112.79 3i5y h SER 583 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i5y h SER 583 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3i5y h SER 583 CO 0.00 0.11 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 3i5y n ARG 584 N -3.76 2.89 -3.65 4.77 1.74 -1.26 -5.00 116.66 112.40 3i5y n ARG 584 Ca -0.02 -2.28 -0.37 0.00 -0.77 0.00 0.00 57.85 54.42 3i5y n ARG 584 Cb 0.22 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.19 3i5y n ARG 584 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i5y s SER 585 N -1.05 6.46 0.42 0.55 0.15 -0.60 -4.98 113.70 114.65 3i5y s SER 585 Ca 0.31 0.54 0.20 0.00 0.70 0.00 0.00 55.95 57.70 3i5y s SER 585 Cb 0.17 -2.15 0.95 0.00 -1.71 0.00 0.00 66.02 63.28 3i5y s SER 585 CO 0.20 0.23 1.87 1.55 1.20 0.00 0.00 173.24 178.29 3i5y h PRO 586 N 5.88 0.00 -0.87 5.44 0.13 -1.95 -2.66 132.00 137.97 3i5y h PRO 586 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i5y h PRO 586 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3i5y h PRO 586 CO 0.69 0.28 0.54 0.82 -0.23 0.00 0.00 178.00 180.10 3i5y h ILE 587 N 0.00 1.24 -0.05 -3.56 2.04 -1.93 -2.34 117.51 112.90 3i5y h ILE 587 Ca -0.00 -0.49 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 3i5y h ILE 587 Cb 0.63 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3i5y h ILE 587 CO 0.04 0.24 -0.50 1.23 0.00 0.00 0.00 178.15 179.16 3i5y h GLY 588 N 1.20 0.15 1.55 5.37 0.00 -1.70 -2.77 103.07 106.87 3i5y h GLY 588 Ca 0.31 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 3i5y h GLY 588 CO -0.06 0.15 -0.18 1.70 0.00 0.00 0.00 176.54 178.15 3i5y h LYS 589 N 0.11 0.54 0.00 4.80 3.64 -1.24 -2.78 116.57 121.64 3i5y h LYS 589 Ca 0.00 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 3i5y h LYS 589 Cb 0.93 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 3i5y h LYS 589 CO 0.07 0.69 -0.59 0.00 -2.27 0.00 0.00 179.45 177.36 3i5y h ALA 590 N 1.32 0.87 0.14 5.00 0.00 -1.22 -3.36 119.26 122.02 3i5y h ALA 590 Ca 0.08 -0.54 -0.34 0.00 0.00 0.00 0.00 54.91 54.11 3i5y h ALA 590 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3i5y h ALA 590 CO 0.04 0.74 -1.80 0.52 0.00 0.00 0.00 179.25 178.74 3i5y h MET 591 N 0.00 0.30 -6.48 0.00 2.86 -1.42 -3.49 114.93 106.70 3i5y h MET 591 Ca -0.01 -0.51 -0.62 0.00 -2.06 0.00 0.00 59.70 56.51 3i5y h MET 591 Cb 1.15 0.19 -0.20 0.00 0.06 0.00 0.00 31.60 32.80 3i5y h MET 591 CO 0.08 1.24 -0.83 -0.06 1.06 0.00 0.00 176.91 178.40 3i5y s PHE 592 N -2.55 2.13 -0.08 -0.22 0.08 -1.06 -3.25 117.98 113.04 3i5y s PHE 592 Ca -0.20 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.49 3i5y s PHE 592 Cb 0.06 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 3i5y s PHE 592 CO 0.79 0.39 -0.17 -2.00 -0.10 0.00 0.00 175.22 174.12 3i5y s GLU 593 N -2.44 2.79 -0.56 0.44 2.12 -0.44 -4.73 118.70 115.88 3i5y s GLU 593 Ca 0.16 -0.76 -0.27 0.00 0.36 0.00 0.00 54.97 54.46 3i5y s GLU 593 Cb -0.08 -2.39 0.03 0.00 0.26 0.00 0.00 34.13 31.95 3i5y s GLU 593 CO 0.07 0.42 1.11 0.42 -0.54 0.00 0.00 175.26 176.75 3i5y s ILE 594 N -0.22 4.14 -0.51 -3.70 1.01 -1.26 -0.90 121.20 119.75 3i5y s ILE 594 Ca -0.00 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.43 3i5y s ILE 594 Cb -0.13 -4.66 0.43 0.00 0.01 0.00 0.00 42.46 38.11 3i5y s ILE 594 CO 0.03 -1.24 1.54 -1.14 0.00 0.00 0.00 174.94 174.13 3i5y n ARG 595 N 8.11 3.19 0.00 2.79 3.00 -0.68 -4.92 116.66 128.15 3i5y n ARG 595 Ca 0.07 -3.90 0.13 0.00 -0.00 0.00 0.00 57.85 54.15 3i5y n ARG 595 Cb 0.49 -2.28 0.35 0.00 0.00 0.00 0.00 32.46 31.02 3i5y n ARG 595 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38