#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyy s ALA 74 N 0.00 3.20 -0.01 3.55 0.00 -1.26 -4.98 121.76 122.26 1pyy s ALA 74 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1pyy s ALA 74 Cb 0.00 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 1pyy s ALA 74 CO 0.00 -0.11 1.63 0.21 0.00 0.00 0.00 175.76 177.49 1pyy s LYS 75 N -3.91 4.20 0.08 0.00 2.20 -1.26 -4.79 119.74 116.26 1pyy s LYS 75 Ca 0.55 2.21 -0.31 0.00 -0.36 0.00 0.00 55.97 58.07 1pyy s LYS 75 Cb -0.10 -3.81 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 1pyy s LYS 75 CO 0.30 -0.78 1.55 0.50 -0.36 0.00 0.00 175.35 176.57 1pyy s ARG 76 N 3.39 4.23 0.78 4.03 3.52 -1.26 -0.42 118.95 133.22 1pyy s ARG 76 Ca 0.73 2.23 -0.16 0.00 -0.13 0.00 0.00 55.73 58.40 1pyy s ARG 76 Cb -0.35 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1pyy s ARG 76 CO 0.30 -0.64 0.45 0.41 -0.81 0.00 0.00 175.30 175.01 1pyy n GLY 77 N 3.81 -1.77 3.83 8.12 0.00 0.21 -4.41 105.19 114.98 1pyy n GLY 77 Ca 0.14 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1pyy n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pyy s THR 78 N -2.02 4.81 -0.35 2.61 2.01 -1.26 -4.77 115.64 116.68 1pyy s THR 78 Ca 0.63 0.95 -0.13 0.00 0.31 0.00 0.00 61.69 63.45 1pyy s THR 78 Cb -0.32 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1pyy s THR 78 CO 0.61 0.31 0.24 -0.63 -0.69 0.00 0.00 174.62 174.46 1pyy s ILE 79 N -1.39 5.13 0.18 1.82 1.01 0.61 -0.49 121.20 128.07 1pyy s ILE 79 Ca 0.36 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.71 1pyy s ILE 79 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1pyy s ILE 79 CO 0.19 -0.06 0.09 -0.31 0.00 0.00 0.00 174.94 174.85 1pyy s TYR 80 N 1.69 3.02 1.05 3.97 2.02 0.54 -0.38 117.35 129.25 1pyy s TYR 80 Ca 0.05 -0.08 -0.16 0.00 -0.37 0.00 0.00 57.07 56.51 1pyy s TYR 80 Cb -0.18 -1.44 0.22 0.00 -0.40 0.00 0.00 41.96 40.17 1pyy s TYR 80 CO 0.10 0.52 1.19 0.16 -1.57 0.00 0.00 175.55 175.95 1pyy s ASP 81 N -3.16 2.31 0.55 2.29 -4.77 0.42 0.14 116.67 114.45 1pyy s ASP 81 Ca 0.30 0.61 0.28 0.00 -3.30 0.00 0.00 52.55 50.44 1pyy s ASP 81 Cb -0.09 -0.88 1.46 0.00 -1.09 0.00 0.00 42.92 42.32 1pyy s ASP 81 CO 0.22 -3.26 1.94 0.08 0.70 0.00 0.00 175.17 174.84 1pyy h ARG 82 N -1.99 0.00 -0.40 2.11 0.11 0.45 -2.20 114.38 112.46 1pyy h ARG 82 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1pyy h ARG 82 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1pyy h ARG 82 CO 0.43 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.59 1pyy n ASN 83 N -4.16 4.25 0.00 0.08 5.03 -1.26 -4.61 115.26 114.59 1pyy n ASN 83 Ca 0.12 -2.75 0.00 0.00 0.87 0.00 0.00 54.58 52.82 1pyy n ASN 83 Cb 0.73 -0.53 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 1pyy n ASN 83 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pyy n GLY 84 N 0.14 0.81 3.65 7.41 0.00 -0.83 -4.77 105.19 111.60 1pyy n GLY 84 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1pyy n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pyy s VAL 85 N -2.05 4.75 0.24 1.61 1.01 -1.26 -4.78 120.40 119.91 1pyy s VAL 85 Ca 0.00 1.71 -0.31 0.00 0.00 0.00 0.00 61.98 63.38 1pyy s VAL 85 Cb 0.00 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 1pyy s VAL 85 CO 0.00 -0.16 1.33 -2.65 0.00 0.00 0.00 175.10 173.62 1pyy n PRO 86 N 6.20 1.82 -0.01 2.72 -0.02 -1.26 -0.43 135.00 144.01 1pyy n PRO 86 Ca 0.08 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 1pyy n PRO 86 Cb 0.47 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1pyy n PRO 86 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pyy n ILE 87 N 1.61 0.12 -3.60 4.25 5.41 0.49 -4.82 119.36 122.82 1pyy n ILE 87 Ca 0.12 -0.04 -0.22 0.00 1.00 0.00 0.00 62.75 63.61 1pyy n ILE 87 Cb 0.30 -1.15 -0.16 0.00 -0.71 0.00 0.00 39.64 37.92 1pyy n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyy s ALA 88 N -2.04 0.15 0.18 -1.39 0.00 -0.87 -3.99 121.76 113.80 1pyy s ALA 88 Ca -0.03 0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1pyy s ALA 88 Cb 0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1pyy s ALA 88 CO 0.04 -0.99 -0.05 -1.83 0.00 0.00 0.00 175.76 172.93 1pyy s GLU 89 N 2.21 1.17 -0.05 0.00 -1.05 -0.42 -0.29 118.70 120.27 1pyy s GLU 89 Ca 0.04 -1.55 -0.30 0.00 -0.15 0.00 0.00 54.97 53.01 1pyy s GLU 89 Cb -0.15 -0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 32.93 1pyy s GLU 89 CO -0.08 -0.02 1.28 0.34 0.95 0.00 0.00 175.26 177.73 1pyy s ASP 90 N -3.22 6.97 -0.38 0.83 2.15 -1.26 -0.45 116.67 121.31 1pyy s ASP 90 Ca 0.22 1.91 0.06 0.00 0.43 0.00 0.00 52.55 55.17 1pyy s ASP 90 Cb 0.04 -2.56 0.44 0.00 -0.30 0.00 0.00 42.92 40.54 1pyy s ASP 90 CO 0.04 -0.65 1.16 0.00 -0.17 0.00 0.00 175.17 175.55 1pyy n ALA 91 N 5.41 5.06 -2.01 3.66 0.00 0.94 -4.85 120.51 128.73 1pyy n ALA 91 Ca 0.12 -4.09 -0.42 0.00 0.00 0.00 0.00 53.44 49.05 1pyy n ALA 91 Cb 0.45 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1pyy n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1pyy s THR 92 N -5.12 2.84 0.30 0.00 -4.23 -1.23 -4.04 115.64 104.16 1pyy s THR 92 Ca 0.49 0.61 0.11 0.00 -1.18 0.00 0.00 61.69 61.72 1pyy s THR 92 Cb 0.41 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 1pyy s THR 92 CO -0.09 0.05 -0.16 -0.94 -0.54 0.00 0.00 174.62 172.94 1pyy s SER 93 N 1.11 3.68 -0.06 3.99 1.04 -0.89 -4.29 113.70 118.27 1pyy s SER 93 Ca 0.68 -1.06 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1pyy s SER 93 Cb -0.41 -0.34 -0.00 0.00 0.10 0.00 0.00 66.02 65.37 1pyy s SER 93 CO 0.31 -0.04 -0.20 -0.31 0.98 0.00 0.00 173.24 173.99 1pyy s TYR 94 N -2.53 2.03 -0.24 5.02 4.12 0.10 -1.10 117.35 124.75 1pyy s TYR 94 Ca 0.31 -0.67 -0.14 0.00 0.02 0.00 0.00 57.07 56.60 1pyy s TYR 94 Cb -0.03 -1.36 -0.04 0.00 -1.52 0.00 0.00 41.96 39.00 1pyy s TYR 94 CO 0.16 -0.24 0.31 -0.80 0.02 0.00 0.00 175.55 174.99 1pyy s ASN 95 N 0.13 6.26 -0.12 2.29 0.02 -1.26 -0.54 114.94 121.72 1pyy s ASN 95 Ca -0.08 0.30 -0.15 0.00 -1.02 0.00 0.00 52.86 51.90 1pyy s ASN 95 Cb -0.14 -2.18 -0.05 0.00 0.02 0.00 0.00 41.25 38.90 1pyy s ASN 95 CO 0.04 -0.06 0.36 0.54 0.02 0.00 0.00 177.10 178.00 1pyy s VAL 96 N 1.48 5.23 0.02 1.60 0.11 -0.33 -4.96 120.40 123.56 1pyy s VAL 96 Ca 0.14 0.70 0.06 0.00 -2.93 0.00 0.00 61.98 59.95 1pyy s VAL 96 Cb -0.15 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1pyy s VAL 96 CO 0.08 0.42 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.78 1pyy s TYR 97 N 0.16 1.56 1.18 1.54 2.02 -1.26 -4.51 117.35 118.04 1pyy s TYR 97 Ca 0.20 -0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 56.38 1pyy s TYR 97 Cb -0.14 -0.96 0.28 0.00 -0.40 0.00 0.00 41.96 40.74 1pyy s TYR 97 CO 0.07 0.04 1.11 0.00 -1.57 0.00 0.00 175.55 175.20 1pyy s ALA 98 N -0.67 0.68 -0.96 3.71 0.00 0.36 -5.03 121.76 119.84 1pyy s ALA 98 Ca 0.06 -0.90 0.27 0.00 0.00 0.00 0.00 51.96 51.39 1pyy s ALA 98 Cb -0.08 -2.90 0.91 0.00 0.00 0.00 0.00 23.12 21.05 1pyy s ALA 98 CO 0.01 -3.49 1.71 -1.71 0.00 0.00 0.00 175.76 172.28 1pyy n ASN 120 N -4.68 0.26 0.09 0.00 5.15 -1.26 -4.71 115.26 110.12 1pyy n ASN 120 Ca 0.12 0.23 -0.06 0.00 -0.60 0.00 0.00 54.58 54.26 1pyy n ASN 120 Cb 0.59 -0.22 0.03 0.00 -0.53 0.00 0.00 39.78 39.65 1pyy n ASN 120 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1pyy h LYS 121 N 0.00 0.14 -0.35 1.20 3.64 -2.04 -3.13 116.57 116.03 1pyy h LYS 121 Ca 0.00 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.12 1pyy h LYS 121 Cb 0.53 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1pyy h LYS 121 CO 0.00 0.87 -0.27 -0.39 -2.27 0.00 0.00 179.45 177.39 1pyy h VAL 122 N 0.08 1.28 0.00 2.00 -1.51 -2.02 -1.12 116.25 114.96 1pyy h VAL 122 Ca -0.03 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1pyy h VAL 122 Cb 1.40 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1pyy h VAL 122 CO 0.12 0.46 0.00 0.00 -1.23 0.00 0.00 177.57 176.91 1pyy n ALA 123 N -2.50 1.17 -0.10 5.19 0.00 -1.18 -1.27 120.51 121.83 1pyy n ALA 123 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1pyy n ALA 123 Cb 0.45 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 1pyy n ALA 123 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pyy n GLU 124 N -1.38 0.44 -0.29 0.00 0.00 -0.61 -4.06 120.64 114.73 1pyy n GLU 124 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 57.16 57.36 1pyy n GLU 124 Cb 0.01 -1.28 0.19 0.00 0.00 0.00 0.00 31.44 30.37 1pyy n GLU 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1pyy h VAL 125 N -0.38 0.83 0.00 6.31 2.07 -0.20 0.45 116.25 125.33 1pyy h VAL 125 Ca -0.46 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1pyy h VAL 125 Cb 1.53 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1pyy h VAL 125 CO -0.19 0.13 -0.00 -0.26 0.02 0.00 0.00 177.57 177.26 1pyy h PHE 126 N 0.72 0.00 0.00 1.57 -1.00 -1.42 -1.03 116.94 115.79 1pyy h PHE 126 Ca 0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.21 1pyy h PHE 126 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1pyy h PHE 126 CO -0.07 0.00 0.00 1.25 -1.61 0.00 0.00 178.31 177.88 1pyy h HIS 127 N 0.00 0.00 0.00 -0.55 2.76 -0.15 -1.32 115.15 115.90 1pyy h HIS 127 Ca -0.00 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.83 1pyy h HIS 127 Cb 0.34 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.24 1pyy h HIS 127 CO 0.00 0.00 -2.29 1.63 -1.30 0.00 0.00 177.93 175.97 1pyy n LYS 128 N -2.77 0.85 -0.21 5.26 4.76 -0.52 -3.99 118.16 121.55 1pyy n LYS 128 Ca 0.05 0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.61 1pyy n LYS 128 Cb 0.49 -1.47 0.17 0.00 -1.84 0.00 0.00 35.03 32.38 1pyy n LYS 128 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pyy n TYR 129 N -2.86 0.39 -1.69 2.13 4.02 -0.51 -4.63 117.16 114.01 1pyy n TYR 129 Ca -0.34 -0.87 0.00 0.00 -0.01 0.00 0.00 57.90 56.68 1pyy n TYR 129 Cb 1.05 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 1pyy n TYR 129 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1pyy n LEU 130 N -0.86 0.00 -0.67 7.72 4.77 -0.54 -4.95 117.00 122.46 1pyy n LEU 130 Ca 0.16 -0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1pyy n LEU 130 Cb 0.68 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1pyy n LEU 130 CO 0.07 0.25 -0.07 0.47 -1.33 0.00 0.00 177.39 176.79 1pyy n ASP 131 N 0.00 -3.94 -4.72 -1.43 8.00 -1.01 -4.83 116.55 108.62 1pyy n ASP 131 Ca 0.00 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 1pyy n ASP 131 Cb 0.37 -3.00 -0.03 0.00 -0.02 0.00 0.00 41.12 38.44 1pyy n ASP 131 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1pyy s MET 132 N -2.25 4.58 0.12 -1.24 -1.94 -0.94 -4.95 119.30 112.68 1pyy s MET 132 Ca 0.00 1.50 -0.30 0.00 -1.71 0.00 0.00 55.69 55.18 1pyy s MET 132 Cb 0.00 -3.41 -0.07 0.00 2.01 0.00 0.00 34.83 33.36 1pyy s MET 132 CO 0.00 -0.01 1.19 -1.83 -0.01 0.00 0.00 175.02 174.37 1pyy s GLU 133 N 0.68 4.47 0.47 2.03 -1.05 -1.26 -3.50 118.70 120.53 1pyy s GLU 133 Ca 0.52 1.82 0.30 0.00 -0.15 0.00 0.00 54.97 57.45 1pyy s GLU 133 Cb -0.23 -3.29 1.39 0.00 -0.44 0.00 0.00 34.13 31.55 1pyy s GLU 133 CO 0.29 -0.16 1.72 0.93 0.95 0.00 0.00 175.26 178.99 1pyy h GLU 134 N 6.01 0.15 -0.37 -4.83 5.08 -1.95 0.43 114.58 119.10 1pyy h GLU 134 Ca -0.43 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1pyy h GLU 134 Cb 1.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1pyy h GLU 134 CO 0.78 0.10 0.00 1.03 -1.00 0.00 0.00 179.01 179.92 1pyy h SER 135 N 0.15 0.54 0.09 1.42 0.87 -1.90 -1.36 113.55 113.36 1pyy h SER 135 Ca 0.69 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1pyy h SER 135 Cb 2.27 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.09 1pyy h SER 135 CO -0.22 0.61 -0.04 0.22 -0.53 0.00 0.00 176.83 176.86 1pyy h TYR 136 N 0.55 -0.11 -0.11 2.24 5.03 -0.51 -3.04 116.97 121.02 1pyy h TYR 136 Ca 0.12 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.46 1pyy h TYR 136 Cb 0.35 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.66 1pyy h TYR 136 CO 0.01 0.42 0.09 0.28 -1.32 0.00 0.00 178.16 177.65 1pyy h VAL 137 N -0.77 0.77 0.00 1.81 2.07 -1.45 -2.88 116.25 115.80 1pyy h VAL 137 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1pyy h VAL 137 Cb 0.58 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1pyy h VAL 137 CO 0.02 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.47 1pyy n ARG 138 N -4.25 0.00 -0.10 1.57 3.00 -0.52 -3.55 116.66 112.81 1pyy n ARG 138 Ca -0.00 0.38 -0.06 0.00 -0.00 0.00 0.00 57.85 58.17 1pyy n ARG 138 Cb 0.21 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.31 1pyy n ARG 138 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1pyy h GLU 139 N 0.00 -0.03 0.00 -0.14 4.11 -1.48 -2.04 114.58 115.00 1pyy h GLU 139 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pyy h GLU 139 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1pyy h GLU 139 CO 0.00 -0.02 0.05 1.04 0.07 0.00 0.00 179.01 180.14 1pyy n GLN 140 N -5.30 0.00 -3.48 1.06 1.13 -1.09 -5.14 117.38 104.56 1pyy n GLN 140 Ca 0.01 0.21 -0.12 0.00 -1.94 0.00 0.00 57.00 55.16 1pyy n GLN 140 Cb 0.22 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 1pyy n GLN 140 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1pyy s LEU 141 N -2.32 -0.40 -0.18 1.08 0.05 -0.77 -4.75 118.68 111.39 1pyy s LEU 141 Ca 0.00 -0.08 -0.12 0.00 0.05 0.00 0.00 54.13 53.98 1pyy s LEU 141 Cb 0.00 2.48 -0.22 0.00 -2.05 0.00 0.00 46.19 46.41 1pyy s LEU 141 CO 0.00 -0.97 0.19 1.33 -0.55 0.00 0.00 176.35 176.35 1pyy n VAL 149 N -0.36 1.64 -1.98 1.48 0.24 -1.26 -5.02 118.33 113.08 1pyy n VAL 149 Ca -0.16 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.34 61.46 1pyy n VAL 149 Cb 0.65 -1.84 0.10 0.00 -1.47 0.00 0.00 33.84 31.28 1pyy n VAL 149 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pyy s SER 150 N -6.97 4.30 0.00 -1.34 0.15 -1.26 0.13 113.70 108.71 1pyy s SER 150 Ca -0.27 0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1pyy s SER 150 Cb 0.07 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1pyy s SER 150 CO 0.66 -2.00 0.09 0.49 1.20 0.00 0.00 173.24 173.68 1pyy n PHE 151 N -3.32 0.00 -2.07 3.44 3.72 -1.26 -4.81 117.46 113.16 1pyy n PHE 151 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1pyy n PHE 151 Cb 0.61 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1pyy n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pyy n GLY 152 N 0.00 -1.76 0.37 1.37 0.00 -1.26 -4.37 105.19 99.53 1pyy n GLY 152 Ca 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 1pyy n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyy h ALA 153 N 0.00 -0.89 -0.27 4.61 0.00 -2.02 -3.21 119.26 117.48 1pyy h ALA 153 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1pyy h ALA 153 Cb 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pyy h ALA 153 CO 0.00 -0.84 0.52 0.87 0.00 0.00 0.00 179.25 179.81 1pyy h LYS 154 N -1.22 0.00 -0.33 0.00 1.57 -1.88 1.24 116.57 115.96 1pyy h LYS 154 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1pyy h LYS 154 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1pyy h LYS 154 CO 0.15 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 1pyy n GLY 155 N -1.40 1.10 3.67 3.86 0.00 -1.22 -4.88 105.19 106.32 1pyy n GLY 155 Ca 0.04 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1pyy n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pyy s ASN 156 N -1.42 5.57 -0.41 1.61 3.84 0.43 -1.18 114.94 123.38 1pyy s ASN 156 Ca 0.35 0.13 -0.21 0.00 0.21 0.00 0.00 52.86 53.35 1pyy s ASN 156 Cb 0.20 -1.85 0.03 0.00 -0.55 0.00 0.00 41.25 39.07 1pyy s ASN 156 CO 0.28 0.25 0.54 0.61 -2.79 0.00 0.00 177.10 175.99 1pyy n GLY 157 N 3.02 -1.10 3.41 1.21 0.00 -0.99 -4.93 105.19 105.80 1pyy n GLY 157 Ca -0.18 1.11 -0.28 0.00 0.00 0.00 0.00 46.02 46.68 1pyy n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pyy s ILE 158 N -2.12 2.31 0.28 -0.61 -4.36 0.30 -4.66 121.20 112.34 1pyy s ILE 158 Ca 0.26 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.41 1pyy s ILE 158 Cb -0.05 -2.07 -0.12 0.00 1.25 0.00 0.00 42.46 41.46 1pyy s ILE 158 CO 0.77 -0.05 1.47 0.41 0.24 0.00 0.00 174.94 177.78 1pyy n THR 159 N 0.49 1.19 -0.31 8.37 -1.04 -1.26 0.02 114.28 121.74 1pyy n THR 159 Ca -0.14 -0.30 0.34 0.00 -2.04 0.00 0.00 64.05 61.90 1pyy n THR 159 Cb 0.55 -1.70 0.73 0.00 -1.82 0.00 0.00 70.33 68.08 1pyy n THR 159 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1pyy h TYR 160 N 4.12 0.07 0.00 -1.42 3.20 -1.94 -1.51 116.97 119.49 1pyy h TYR 160 Ca -0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1pyy h TYR 160 Cb 1.26 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1pyy h TYR 160 CO 0.56 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 177.08 1pyy n ALA 161 N -2.74 -0.39 -0.36 1.82 0.00 -1.26 -3.33 120.51 114.25 1pyy n ALA 161 Ca 0.25 0.00 0.31 0.00 0.00 0.00 0.00 53.44 54.00 1pyy n ALA 161 Cb 1.19 0.00 0.57 0.00 0.00 0.00 0.00 19.45 21.21 1pyy n ALA 161 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1pyy h ASN 162 N 0.00 0.36 0.00 0.00 2.35 -1.65 0.16 115.58 116.80 1pyy h ASN 162 Ca 0.00 0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1pyy h ASN 162 Cb 0.00 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1pyy h ASN 162 CO 0.00 -0.25 -0.17 1.15 -1.65 0.00 0.00 177.43 176.51 1pyy n MET 163 N -5.01 1.43 -0.15 0.81 0.00 -0.92 -5.02 117.12 108.27 1pyy n MET 163 Ca 0.36 -0.44 0.00 0.00 0.00 0.00 0.00 57.70 57.62 1pyy n MET 163 Cb 1.23 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 33.01 1pyy n MET 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1pyy n MET 164 N 1.94 0.00 0.00 3.17 0.00 0.55 -5.00 117.12 117.77 1pyy n MET 164 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 57.70 57.44 1pyy n MET 164 Cb 0.68 -0.35 0.00 0.00 0.00 0.00 0.00 33.22 33.55 1pyy n MET 164 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1pyy n SER 183 N 0.00 0.00 -4.76 6.12 2.88 -0.26 -5.04 113.62 112.56 1pyy n SER 183 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1pyy n SER 183 Cb 0.54 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.05 1pyy n SER 183 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1pyy s PRO 184 N 0.00 2.76 0.10 -1.46 0.02 -1.26 -2.10 135.00 133.06 1pyy s PRO 184 Ca 0.00 1.52 -0.19 0.00 0.02 0.00 0.00 61.00 62.34 1pyy s PRO 184 Cb 0.00 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.63 1pyy s PRO 184 CO 0.00 -1.30 0.47 1.21 -0.33 0.00 0.00 177.00 177.05 1pyy s ASN 185 N -2.30 -0.36 -0.11 2.53 2.47 -1.26 -4.87 114.94 111.04 1pyy s ASN 185 Ca 0.70 -0.07 0.03 0.00 0.42 0.00 0.00 52.86 53.94 1pyy s ASN 185 Cb -0.23 0.50 -0.00 0.00 -1.45 0.00 0.00 41.25 40.06 1pyy s ASN 185 CO 0.39 -0.81 -0.22 -0.60 -3.72 0.00 0.00 177.10 172.14 1pyy s ARG 186 N -3.21 3.09 -0.13 0.43 6.06 -1.26 -0.04 118.95 123.88 1pyy s ARG 186 Ca -0.01 -0.85 -0.01 0.00 -2.50 0.00 0.00 55.73 52.36 1pyy s ARG 186 Cb 0.00 -2.36 -0.02 0.00 0.06 0.00 0.00 34.95 32.63 1pyy s ARG 186 CO -0.08 0.16 -0.10 0.45 -2.50 0.00 0.00 175.30 173.24 1pyy s SER 187 N 0.39 4.29 -0.58 -2.12 0.15 0.41 -4.85 113.70 111.40 1pyy s SER 187 Ca -0.17 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.28 1pyy s SER 187 Cb -0.17 -1.61 0.14 0.00 -1.71 0.00 0.00 66.02 62.67 1pyy s SER 187 CO 0.07 0.18 0.34 -0.31 1.20 0.00 0.00 173.24 174.73 1pyy s TYR 188 N 0.25 3.25 0.59 3.44 1.51 -1.26 -1.31 117.35 123.81 1pyy s TYR 188 Ca -0.07 -3.20 0.29 0.00 -1.01 0.00 0.00 57.07 53.08 1pyy s TYR 188 Cb -0.15 -2.73 1.53 0.00 -0.11 0.00 0.00 41.96 40.51 1pyy s TYR 188 CO 0.04 -0.68 1.97 -1.00 -1.11 0.00 0.00 175.55 174.77 1pyy h PRO 189 N 6.13 0.00 0.00 -1.71 0.13 -1.88 -2.24 132.00 132.43 1pyy h PRO 189 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pyy h PRO 189 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1pyy h PRO 189 CO 0.69 0.00 -0.17 0.09 -0.23 0.00 0.00 178.00 178.38 1pyy n ASN 190 N -3.75 0.32 0.00 1.44 3.02 -1.26 -5.01 115.26 110.02 1pyy n ASN 190 Ca 0.06 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1pyy n ASN 190 Cb 0.55 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1pyy n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pyy n GLY 191 N 1.45 3.27 3.58 7.41 0.00 -0.84 -4.44 105.19 115.62 1pyy n GLY 191 Ca 0.06 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1pyy n GLY 191 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pyy s GLN 192 N 0.00 3.36 -0.29 1.61 0.74 -1.26 -2.37 119.66 121.45 1pyy s GLN 192 Ca 0.00 0.43 0.06 0.00 0.05 0.00 0.00 55.36 55.90 1pyy s GLN 192 Cb 0.00 -4.09 0.20 0.00 1.10 0.00 0.00 33.01 30.21 1pyy s GLN 192 CO 0.00 -1.86 0.59 0.12 -0.55 0.00 0.00 175.29 173.59 1pyy s PHE 193 N 5.78 -1.86 -0.89 1.67 2.19 -1.26 -4.89 117.98 118.72 1pyy s PHE 193 Ca 0.51 1.07 -0.07 0.00 0.33 0.00 0.00 56.93 58.76 1pyy s PHE 193 Cb -0.10 0.31 0.06 0.00 -1.31 0.00 0.00 43.02 41.99 1pyy s PHE 193 CO 0.25 -1.09 0.26 0.00 1.83 0.00 0.00 175.22 176.47 1pyy n ALA 194 N 5.40 -1.02 -0.37 11.12 0.00 -1.26 -4.77 120.51 129.62 1pyy n ALA 194 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1pyy n ALA 194 Cb 0.54 -1.71 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 1pyy n ALA 194 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pyy n SER 195 N -1.96 -0.71 0.15 0.00 7.64 -1.26 -0.55 113.62 116.93 1pyy n SER 195 Ca -0.01 1.62 0.01 0.00 1.01 0.00 0.00 58.87 61.51 1pyy n SER 195 Cb 0.52 -0.32 0.31 0.00 -1.01 0.00 0.00 64.21 63.71 1pyy n SER 195 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1pyy h SER 196 N 0.00 0.09 0.04 6.43 4.64 -1.91 -0.70 113.55 122.14 1pyy h SER 196 Ca 0.27 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1pyy h SER 196 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1pyy h SER 196 CO -0.90 0.46 -0.02 0.15 -0.87 0.00 0.00 176.83 175.65 1pyy h PHE 197 N 0.07 -0.05 -0.49 4.77 3.57 -1.18 -3.27 116.94 120.35 1pyy h PHE 197 Ca 0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1pyy h PHE 197 Cb 0.70 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1pyy h PHE 197 CO 0.00 0.47 0.21 0.82 -2.23 0.00 0.00 178.31 177.59 1pyy h ILE 198 N -0.61 1.20 0.00 1.41 1.08 -1.03 -2.04 117.51 117.53 1pyy h ILE 198 Ca -0.01 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1pyy h ILE 198 Cb 0.55 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1pyy h ILE 198 CO 0.01 0.23 0.00 0.61 -0.69 0.00 0.00 178.15 178.31 1pyy n GLY 199 N -0.84 -1.07 3.21 5.37 0.00 -0.27 -1.49 105.19 110.09 1pyy n GLY 199 Ca 0.02 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 1pyy n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyy s LEU 200 N -1.79 2.02 -0.28 0.99 1.43 -1.20 -4.77 118.68 115.07 1pyy s LEU 200 Ca 0.00 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 1pyy s LEU 200 Cb 0.00 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1pyy s LEU 200 CO 0.00 0.23 0.33 0.00 0.23 0.00 0.00 176.35 177.14 1pyy s ALA 201 N -0.34 3.55 0.26 4.21 0.00 -1.26 -1.57 121.76 126.61 1pyy s ALA 201 Ca 0.04 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.20 1pyy s ALA 201 Cb -0.09 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1pyy s ALA 201 CO 0.00 -0.67 -0.07 -0.65 0.00 0.00 0.00 175.76 174.38 1pyy s GLN 202 N 2.00 2.11 0.13 0.00 -0.21 0.74 -4.73 119.66 119.70 1pyy s GLN 202 Ca 0.13 -1.48 -0.31 0.00 0.02 0.00 0.00 55.36 53.72 1pyy s GLN 202 Cb -0.16 -2.06 -0.08 0.00 1.00 0.00 0.00 33.01 31.71 1pyy s GLN 202 CO 0.10 0.37 1.31 -1.17 -2.12 0.00 0.00 175.29 173.78 1pyy s LEU 203 N -3.51 4.39 -0.13 2.90 2.96 -1.26 -0.03 118.68 124.00 1pyy s LEU 203 Ca 0.30 2.27 0.02 0.00 -0.22 0.00 0.00 54.13 56.50 1pyy s LEU 203 Cb -0.06 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.05 1pyy s LEU 203 CO 0.18 -0.56 -0.17 -2.28 -1.32 0.00 0.00 176.35 172.20 1pyy s HIS 204 N 0.74 2.29 -0.76 5.38 5.65 0.24 -4.90 115.29 123.93 1pyy s HIS 204 Ca 0.60 -1.18 -0.25 0.00 0.25 0.00 0.00 55.06 54.48 1pyy s HIS 204 Cb -0.35 -1.62 0.05 0.00 -1.18 0.00 0.00 32.58 29.48 1pyy s HIS 204 CO 0.33 -0.59 1.19 -1.21 -0.65 0.00 0.00 174.74 173.81 1pyy s GLU 205 N 1.09 3.24 0.90 2.88 2.02 -1.26 -1.94 118.70 125.62 1pyy s GLU 205 Ca -0.03 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.21 1pyy s GLU 205 Cb -0.14 -4.38 0.03 0.00 0.10 0.00 0.00 34.13 29.74 1pyy s GLU 205 CO -0.05 -2.03 0.53 0.09 0.02 0.00 0.00 175.26 173.82 1pyy n ASN 206 N 8.63 -1.56 0.30 -0.19 3.02 -0.49 -4.82 115.26 120.15 1pyy n ASN 206 Ca 0.06 0.40 0.15 0.00 -0.03 0.00 0.00 54.58 55.16 1pyy n ASN 206 Cb 0.48 -1.25 0.93 0.00 -0.61 0.00 0.00 39.78 39.33 1pyy n ASN 206 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pyy h GLU 207 N -1.33 0.00 0.00 3.52 5.08 -1.95 -1.01 114.58 118.90 1pyy h GLU 207 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1pyy h GLU 207 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1pyy h GLU 207 CO 0.37 0.00 -0.57 0.38 -1.00 0.00 0.00 179.01 178.18 1pyy h ASP 208 N 0.00 0.00 0.00 1.42 3.04 -2.02 -3.48 116.42 115.38 1pyy h ASP 208 Ca 0.00 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 1pyy h ASP 208 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1pyy h ASP 208 CO -0.00 0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.90 1pyy n GLY 209 N 1.33 1.33 3.75 7.15 0.00 -0.38 -5.10 105.19 113.27 1pyy n GLY 209 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1pyy n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pyy s SER 210 N -1.06 4.90 0.12 1.61 1.04 -1.26 -4.64 113.70 114.40 1pyy s SER 210 Ca 0.00 2.15 -0.05 0.00 0.48 0.00 0.00 55.95 58.53 1pyy s SER 210 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 1pyy s SER 210 CO 0.00 -1.78 0.37 -0.54 0.98 0.00 0.00 173.24 172.27 1pyy s LYS 211 N -3.90 3.63 -0.02 4.02 1.02 -1.26 -1.39 119.74 121.84 1pyy s LYS 211 Ca 0.70 -0.06 -0.18 0.00 0.02 0.00 0.00 55.97 56.45 1pyy s LYS 211 Cb -0.24 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1pyy s LYS 211 CO 0.40 0.49 0.39 -1.54 -0.92 0.00 0.00 175.35 174.18 1pyy s SER 212 N -2.29 -0.29 -0.17 2.83 1.04 -0.82 -4.93 113.70 109.07 1pyy s SER 212 Ca 0.39 0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.88 1pyy s SER 212 Cb -0.12 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1pyy s SER 212 CO 0.23 -0.49 0.36 -0.76 0.98 0.00 0.00 173.24 173.55 1pyy s LEU 213 N -1.34 4.21 -0.03 2.42 1.43 -1.26 0.79 118.68 124.91 1pyy s LEU 213 Ca -0.13 0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1pyy s LEU 213 Cb -0.04 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 1pyy s LEU 213 CO 0.05 0.02 -0.18 -0.22 0.23 0.00 0.00 176.35 176.26 1pyy s LEU 214 N 0.80 1.98 -0.00 1.79 2.96 0.96 -4.90 118.68 122.27 1pyy s LEU 214 Ca 0.19 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 1pyy s LEU 214 Cb -0.14 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 1pyy s LEU 214 CO 0.06 0.19 1.08 -0.83 -1.32 0.00 0.00 176.35 175.53 1pyy s GLY 215 N -0.20 2.59 0.00 7.98 0.00 -1.26 -0.19 107.32 116.24 1pyy s GLY 215 Ca 0.02 0.62 0.05 0.00 0.00 0.00 0.00 44.72 45.41 1pyy s GLY 215 CO 0.01 1.89 0.35 -1.30 0.00 0.00 0.00 173.10 174.04 1pyy n THR 216 N 4.07 0.00 -3.56 0.90 -2.24 -0.61 -4.49 114.28 108.36 1pyy n THR 216 Ca 0.08 -0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 61.37 1pyy n THR 216 Cb 0.49 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 1pyy n THR 216 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pyy s SER 217 N -1.15 -0.28 0.87 3.42 1.04 -1.25 -4.90 113.70 111.45 1pyy s SER 217 Ca 0.03 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1pyy s SER 217 Cb 0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1pyy s SER 217 CO 0.16 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1pyy n GLY 218 N -0.26 0.73 0.37 7.32 0.00 -1.26 -2.09 105.19 110.00 1pyy n GLY 218 Ca -0.07 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1pyy n GLY 218 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1pyy h MET 219 N 0.00 1.02 -0.85 1.61 2.86 -0.96 -0.69 114.93 117.92 1pyy h MET 219 Ca 0.00 -0.06 0.16 0.00 -2.06 0.00 0.00 59.70 57.74 1pyy h MET 219 Cb 0.00 -0.23 -0.10 0.00 0.06 0.00 0.00 31.60 31.33 1pyy h MET 219 CO 0.00 0.67 0.41 1.49 1.06 0.00 0.00 176.91 180.55 1pyy h GLU 220 N 1.05 0.53 0.00 1.72 4.57 -1.21 0.29 114.58 121.53 1pyy h GLU 220 Ca 0.43 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1pyy h GLU 220 Cb 0.27 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1pyy h GLU 220 CO -0.18 0.35 -0.04 1.03 -1.18 0.00 0.00 179.01 179.00 1pyy h SER 221 N 0.55 0.00 -0.62 1.04 0.87 -0.96 -2.98 113.55 111.45 1pyy h SER 221 Ca 0.48 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 1pyy h SER 221 Cb 0.75 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 1pyy h SER 221 CO -0.41 0.62 0.41 0.28 -0.53 0.00 0.00 176.83 177.21 1pyy h SER 222 N -1.00 0.43 -0.60 6.23 0.02 -1.02 -0.80 113.55 116.82 1pyy h SER 222 Ca -0.00 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1pyy h SER 222 Cb 0.24 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.59 1pyy h SER 222 CO -0.00 0.26 0.18 0.18 -1.14 0.00 0.00 176.83 176.32 1pyy n LEU 223 N -4.48 5.37 0.24 5.07 4.32 0.10 -4.76 117.00 122.86 1pyy n LEU 223 Ca 0.10 -3.31 -0.16 0.00 -0.02 0.00 0.00 56.01 52.62 1pyy n LEU 223 Cb 0.33 -0.69 -0.09 0.00 -1.62 0.00 0.00 43.42 41.35 1pyy n LEU 223 CO 0.34 0.88 0.52 -1.13 -1.22 0.00 0.00 177.39 176.78 1pyy h ASN 224 N 2.08 -1.25 -0.93 -1.43 -1.24 -0.97 -1.10 115.58 110.74 1pyy h ASN 224 Ca 0.23 0.10 0.24 0.00 0.71 0.00 0.00 56.30 57.59 1pyy h ASN 224 Cb 2.08 0.42 -0.06 0.00 0.73 0.00 0.00 38.32 41.50 1pyy h ASN 224 CO 0.60 -0.58 0.64 0.77 -1.29 0.00 0.00 177.43 177.58 1pyy h SER 225 N -0.86 0.23 0.27 1.15 4.64 -1.86 0.22 113.55 117.35 1pyy h SER 225 Ca -0.05 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 1pyy h SER 225 Cb 0.76 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1pyy h SER 225 CO -0.08 0.08 -0.82 0.40 -0.87 0.00 0.00 176.83 175.54 1pyy h ILE 226 N 0.22 1.38 0.15 0.95 2.04 -1.81 -3.27 117.51 117.18 1pyy h ILE 226 Ca 0.47 -2.26 -0.22 0.00 1.00 0.00 0.00 64.86 63.85 1pyy h ILE 226 Cb 1.48 2.23 0.02 0.00 -0.74 0.00 0.00 36.82 39.81 1pyy h ILE 226 CO -0.12 0.68 -1.02 -0.07 0.00 0.00 0.00 178.15 177.62 1pyy h LEU 227 N 0.27 0.48 0.22 1.44 3.38 0.48 -2.13 115.31 119.46 1pyy h LEU 227 Ca -0.05 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 56.98 1pyy h LEU 227 Cb 1.42 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1pyy h LEU 227 CO 0.14 1.48 -0.13 0.00 0.09 0.00 0.00 178.44 180.02 1pyy h ALA 228 N 0.05 -1.02 0.00 1.53 0.00 -0.84 0.60 119.26 119.59 1pyy h ALA 228 Ca -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pyy h ALA 228 Cb 1.72 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1pyy h ALA 228 CO 0.14 -1.00 0.00 0.41 0.00 0.00 0.00 179.25 178.80 1pyy n GLY 229 N -1.17 0.33 3.12 0.00 0.00 -1.23 -2.61 105.19 103.63 1pyy n GLY 229 Ca -0.04 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 1pyy n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pyy s THR 230 N 0.00 1.48 -1.24 2.61 2.01 -1.26 -4.95 115.64 114.29 1pyy s THR 230 Ca 0.00 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 1pyy s THR 230 Cb 0.00 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1pyy s THR 230 CO 0.00 0.43 2.30 0.47 -0.69 0.00 0.00 174.62 177.13 1pyy n ASP 231 N 3.42 4.83 -4.97 3.53 8.00 -1.26 -4.22 116.55 125.89 1pyy n ASP 231 Ca -0.20 -2.65 -0.22 0.00 0.71 0.00 0.00 54.79 52.43 1pyy n ASP 231 Cb 0.53 -1.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.20 1pyy n ASP 231 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1pyy s ASP 257 N 3.44 6.32 0.46 -2.24 1.01 -1.26 -4.64 116.67 119.76 1pyy s ASP 257 Ca 0.53 0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.77 1pyy s ASP 257 Cb 0.14 -1.87 -0.06 0.00 1.01 0.00 0.00 42.92 42.14 1pyy s ASP 257 CO -0.02 -0.06 0.85 -0.83 0.21 0.00 0.00 175.17 175.32 1pyy s GLY 258 N -3.86 1.92 0.49 0.21 0.00 0.44 -4.58 107.32 101.94 1pyy s GLY 258 Ca 0.34 -0.11 -0.19 0.00 0.00 0.00 0.00 44.72 44.77 1pyy s GLY 258 CO 0.29 0.11 1.00 0.54 0.00 0.00 0.00 173.10 175.04 1pyy s LYS 259 N -4.09 3.93 -0.03 2.90 1.02 -0.80 -3.85 119.74 118.82 1pyy s LYS 259 Ca 0.53 1.15 -0.20 0.00 0.02 0.00 0.00 55.97 57.47 1pyy s LYS 259 Cb -0.10 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1pyy s LYS 259 CO 0.34 -0.30 0.59 -0.51 -0.92 0.00 0.00 175.35 174.55 1pyy s ASP 260 N -2.44 6.92 -0.29 2.83 1.01 0.18 -4.00 116.67 120.89 1pyy s ASP 260 Ca 0.63 1.10 -0.06 0.00 0.71 0.00 0.00 52.55 54.93 1pyy s ASP 260 Cb -0.12 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1pyy s ASP 260 CO 0.23 0.05 0.05 -0.69 0.21 0.00 0.00 175.17 175.02 1pyy s VAL 261 N 0.10 3.74 -0.39 -1.27 1.01 0.36 -0.75 120.40 123.18 1pyy s VAL 261 Ca 0.31 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1pyy s VAL 261 Cb -0.18 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1pyy s VAL 261 CO 0.16 0.09 0.55 -0.31 0.00 0.00 0.00 175.10 175.59 1pyy s TYR 262 N 1.46 3.14 0.98 5.22 1.51 0.07 -0.34 117.35 129.38 1pyy s TYR 262 Ca 0.02 0.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.93 1pyy s TYR 262 Cb -0.17 -3.08 0.21 0.00 -0.11 0.00 0.00 41.96 38.81 1pyy s TYR 262 CO 0.01 -0.68 1.32 0.95 -1.11 0.00 0.00 175.55 176.03 1pyy s THR 263 N 2.51 1.98 -1.40 -0.71 -4.23 0.12 0.03 115.64 113.95 1pyy s THR 263 Ca 0.19 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.97 1pyy s THR 263 Cb -0.15 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1pyy s THR 263 CO 0.15 0.00 1.56 0.35 -0.54 0.00 0.00 174.62 176.15 1pyy n THR 264 N -3.85 0.00 -1.87 3.99 -2.24 0.33 -2.03 114.28 108.61 1pyy n THR 264 Ca 0.15 -0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 1pyy n THR 264 Cb 0.59 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1pyy n THR 264 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pyy s ILE 265 N -2.72 2.22 -0.42 2.28 -1.09 -1.17 -4.22 121.20 116.07 1pyy s ILE 265 Ca 0.19 0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.71 1pyy s ILE 265 Cb 0.19 -3.12 0.08 0.00 -1.58 0.00 0.00 42.46 38.02 1pyy s ILE 265 CO 0.59 0.04 0.28 -0.55 -1.23 0.00 0.00 174.94 174.06 1pyy s SER 266 N -0.41 5.71 0.18 3.58 0.15 -0.19 0.29 113.70 123.01 1pyy s SER 266 Ca 0.56 -1.46 -0.20 0.00 0.70 0.00 0.00 55.95 55.55 1pyy s SER 266 Cb -0.43 -2.01 0.11 0.00 -1.71 0.00 0.00 66.02 61.97 1pyy s SER 266 CO 0.57 -0.55 1.61 0.28 1.20 0.00 0.00 173.24 176.35 1pyy h SER 267 N 8.45 -0.95 -0.03 5.45 0.02 -1.94 0.30 113.55 124.84 1pyy h SER 267 Ca -0.24 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1pyy h SER 267 Cb 1.09 0.48 -0.00 0.00 0.14 0.00 0.00 62.40 64.10 1pyy h SER 267 CO 0.77 -0.29 0.00 1.55 -1.14 0.00 0.00 176.83 177.73 1pyy h PRO 268 N -0.17 0.10 0.11 3.45 0.13 -1.96 0.20 132.00 133.87 1pyy h PRO 268 Ca 0.21 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.14 1pyy h PRO 268 Cb 0.51 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.63 1pyy h PRO 268 CO -0.58 0.11 -0.90 -0.07 -0.23 0.00 0.00 178.00 176.33 1pyy h LEU 269 N 0.11 0.37 -0.34 1.56 3.38 -1.60 -2.79 115.31 116.00 1pyy h LEU 269 Ca 0.03 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 57.12 1pyy h LEU 269 Cb 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1pyy h LEU 269 CO 0.00 1.41 0.14 -0.61 0.09 0.00 0.00 178.44 179.47 1pyy h GLN 270 N -0.46 0.28 -0.96 1.13 5.75 -0.27 0.31 115.11 120.90 1pyy h GLN 270 Ca -0.18 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 1pyy h GLN 270 Cb 1.59 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 30.01 1pyy h GLN 270 CO 0.09 0.19 0.63 1.03 -2.65 0.00 0.00 178.83 178.12 1pyy h SER 271 N 0.29 1.03 0.44 -0.69 0.87 -0.71 -1.64 113.55 113.13 1pyy h SER 271 Ca 0.15 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.51 1pyy h SER 271 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1pyy h SER 271 CO -0.14 0.69 -0.81 0.15 -0.53 0.00 0.00 176.83 176.19 1pyy h PHE 272 N 1.18 0.40 -0.35 2.24 3.57 -1.07 -3.16 116.94 119.76 1pyy h PHE 272 Ca 0.39 -0.20 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1pyy h PHE 272 Cb 0.05 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1pyy h PHE 272 CO -0.00 0.98 -0.04 1.98 -2.23 0.00 0.00 178.31 179.00 1pyy h MET 273 N 0.18 0.55 0.00 1.11 4.05 0.38 -2.15 114.93 119.05 1pyy h MET 273 Ca -0.04 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1pyy h MET 273 Cb 1.41 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 1pyy h MET 273 CO 0.13 0.61 -0.00 0.93 0.23 0.00 0.00 176.91 178.80 1pyy h GLU 274 N 0.52 -0.00 -0.43 0.39 4.39 -1.30 0.17 114.58 118.32 1pyy h GLU 274 Ca 0.11 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1pyy h GLU 274 Cb 0.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1pyy h GLU 274 CO 0.02 0.04 -0.14 1.79 -1.16 0.00 0.00 179.01 179.55 1pyy h THR 275 N -0.05 1.26 -0.75 1.13 1.35 -1.58 -0.12 112.91 114.16 1pyy h THR 275 Ca -0.00 -1.23 -0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1pyy h THR 275 Cb 0.05 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 1pyy h THR 275 CO 0.00 0.42 0.37 1.56 -0.25 0.00 0.00 175.52 177.62 1pyy h GLN 276 N 0.72 1.07 -0.33 4.72 1.08 -1.13 -1.73 115.11 119.50 1pyy h GLN 276 Ca 0.11 -0.15 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 1pyy h GLN 276 Cb 0.64 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1pyy h GLN 276 CO 0.04 0.82 -0.32 1.98 -0.95 0.00 0.00 178.83 180.41 1pyy h MET 277 N 1.04 0.81 -0.21 1.46 4.05 -0.39 0.51 114.93 122.20 1pyy h MET 277 Ca 0.26 -0.42 0.05 0.00 -0.28 0.00 0.00 59.70 59.30 1pyy h MET 277 Cb 0.10 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 1pyy h MET 277 CO -0.03 1.06 -0.10 -0.44 0.23 0.00 0.00 176.91 177.62 1pyy h ASP 278 N 0.58 -0.34 -0.77 1.39 3.32 -0.74 0.82 116.42 120.68 1pyy h ASP 278 Ca 0.05 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1pyy h ASP 278 Cb 0.90 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1pyy h ASP 278 CO 0.08 -0.13 0.45 0.00 -1.72 0.00 0.00 179.24 177.91 1pyy h ALA 279 N 1.11 0.99 -0.19 3.45 0.00 -1.22 -0.54 119.26 122.86 1pyy h ALA 279 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1pyy h ALA 279 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pyy h ALA 279 CO -0.26 0.48 0.06 0.35 0.00 0.00 0.00 179.25 179.88 1pyy h PHE 280 N 1.06 0.30 -0.48 0.00 3.57 0.25 -2.73 116.94 118.92 1pyy h PHE 280 Ca 0.28 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1pyy h PHE 280 Cb -0.00 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1pyy h PHE 280 CO -0.00 0.39 0.20 0.37 -2.23 0.00 0.00 178.31 177.04 1pyy h GLN 281 N 0.13 0.67 0.00 1.11 5.75 0.86 -1.93 115.11 121.70 1pyy h GLN 281 Ca 0.06 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 1pyy h GLN 281 Cb 0.23 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1pyy h GLN 281 CO -0.00 0.55 -0.33 1.49 -2.65 0.00 0.00 178.83 177.89 1pyy h GLU 282 N 0.67 0.00 0.05 1.69 4.57 -0.87 -0.13 114.58 120.55 1pyy h GLU 282 Ca 0.16 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.12 1pyy h GLU 282 Cb 0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1pyy h GLU 282 CO -0.02 0.33 -1.18 0.87 -1.18 0.00 0.00 179.01 177.83 1pyy h LYS 283 N 0.00 0.10 0.00 1.92 1.57 -1.13 -3.40 116.57 115.63 1pyy h LYS 283 Ca -0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1pyy h LYS 283 Cb 0.63 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1pyy h LYS 283 CO 0.04 1.08 -1.16 1.33 -0.57 0.00 0.00 179.45 180.18 1pyy n VAL 284 N -4.23 0.56 -3.61 0.50 0.24 -0.78 -4.62 118.33 106.40 1pyy n VAL 284 Ca -0.27 -0.55 -0.28 0.00 -2.04 0.00 0.00 64.34 61.20 1pyy n VAL 284 Cb 0.75 -0.31 0.04 0.00 -1.47 0.00 0.00 33.84 32.85 1pyy n VAL 284 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pyy n LYS 285 N -2.63 -1.32 -3.24 7.34 4.76 -0.06 0.40 118.16 123.40 1pyy n LYS 285 Ca -0.01 0.56 -0.34 0.00 -2.87 0.00 0.00 58.31 55.65 1pyy n LYS 285 Cb 0.57 -4.28 -0.06 0.00 -1.84 0.00 0.00 35.03 29.41 1pyy n LYS 285 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pyy s GLY 286 N -3.41 2.43 0.20 0.72 0.00 -1.26 -2.81 107.32 103.19 1pyy s GLY 286 Ca 0.44 -0.03 -0.08 0.00 0.00 0.00 0.00 44.72 45.04 1pyy s GLY 286 CO 0.85 0.22 1.72 1.70 0.00 0.00 0.00 173.10 177.58 1pyy h LYS 287 N 2.95 1.14 -4.11 2.90 3.64 -1.16 -3.42 116.57 118.50 1pyy h LYS 287 Ca -0.48 -0.27 -0.37 0.00 -1.27 0.00 0.00 60.65 58.26 1pyy h LYS 287 Cb 1.18 -0.15 -0.32 0.00 -0.41 0.00 0.00 32.23 32.54 1pyy h LYS 287 CO 0.66 1.00 -0.76 0.71 -2.27 0.00 0.00 179.45 178.79 1pyy s TYR 288 N -5.32 0.58 0.02 1.91 2.02 -1.20 -4.34 117.35 111.02 1pyy s TYR 288 Ca -0.12 -0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.50 1pyy s TYR 288 Cb 0.15 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 41.21 1pyy s TYR 288 CO 0.85 -0.10 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.96 1pyy s MET 289 N 0.50 0.89 -0.11 -0.62 -1.94 -0.65 -1.01 119.30 116.36 1pyy s MET 289 Ca -0.06 -0.64 -0.15 0.00 -1.71 0.00 0.00 55.69 53.13 1pyy s MET 289 Cb -0.09 -0.87 0.04 0.00 2.01 0.00 0.00 34.83 35.91 1pyy s MET 289 CO -0.00 0.22 0.39 0.99 -0.01 0.00 0.00 175.02 176.61 1pyy s THR 290 N -0.70 0.01 -0.15 2.05 2.01 0.18 -1.40 115.64 117.63 1pyy s THR 290 Ca 0.02 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 1pyy s THR 290 Cb -0.07 -0.59 0.06 0.00 0.01 0.00 0.00 72.50 71.91 1pyy s THR 290 CO 0.01 -0.06 0.35 0.00 -0.69 0.00 0.00 174.62 174.23 1pyy s ALA 291 N -0.21 -0.88 -0.07 7.40 0.00 -0.87 -0.47 121.76 126.66 1pyy s ALA 291 Ca -0.04 1.32 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 1pyy s ALA 291 Cb -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1pyy s ALA 291 CO 0.02 -0.35 -0.03 0.99 0.00 0.00 0.00 175.76 176.39 1pyy s THR 292 N 1.63 0.52 -0.23 0.00 2.01 -0.61 -1.79 115.64 117.17 1pyy s THR 292 Ca -0.07 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 1pyy s THR 292 Cb -0.10 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1pyy s THR 292 CO -0.11 0.26 0.12 -0.22 -0.69 0.00 0.00 174.62 173.98 1pyy s LEU 293 N 1.53 3.95 0.06 4.42 2.96 0.13 -1.54 118.68 130.18 1pyy s LEU 293 Ca -0.01 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1pyy s LEU 293 Cb -0.13 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1pyy s LEU 293 CO -0.03 0.08 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.19 1pyy s VAL 294 N 0.95 1.59 -0.58 1.68 1.01 0.10 -1.01 120.40 124.14 1pyy s VAL 294 Ca 0.06 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.52 1pyy s VAL 294 Cb -0.13 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1pyy s VAL 294 CO 0.03 0.12 1.22 -0.55 0.00 0.00 0.00 175.10 175.92 1pyy s SER 295 N -1.33 6.41 0.40 3.32 0.15 0.74 -0.73 113.70 122.66 1pyy s SER 295 Ca 0.06 0.13 0.13 0.00 0.70 0.00 0.00 55.95 56.97 1pyy s SER 295 Cb -0.09 -2.55 0.96 0.00 -1.71 0.00 0.00 66.02 62.63 1pyy s SER 295 CO 0.02 -1.51 1.89 0.00 1.20 0.00 0.00 173.24 174.84 1pyy h ALA 296 N 9.74 2.01 0.00 5.45 0.00 -1.25 0.28 119.26 135.49 1pyy h ALA 296 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pyy h ALA 296 Cb 1.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pyy h ALA 296 CO 1.19 -0.24 0.00 0.87 0.00 0.00 0.00 179.25 181.07 1pyy h LYS 297 N 0.53 0.00 0.00 0.00 1.79 -1.78 -3.39 116.57 113.72 1pyy h LYS 297 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1pyy h LYS 297 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1pyy h LYS 297 CO -0.16 0.00 -0.81 0.25 -1.08 0.00 0.00 179.45 177.65 1pyy n THR 298 N -2.63 0.00 -0.33 -0.16 -2.24 -0.85 -4.97 114.28 103.11 1pyy n THR 298 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1pyy n THR 298 Cb 0.45 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1pyy n THR 298 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyy n GLY 299 N 2.43 0.83 3.76 3.38 0.00 0.94 -4.51 105.19 112.03 1pyy n GLY 299 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1pyy n GLY 299 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pyy s GLU 300 N -0.67 4.72 -0.44 1.61 2.02 -1.24 0.52 118.70 125.22 1pyy s GLU 300 Ca 0.00 1.35 -0.21 0.00 0.02 0.00 0.00 54.97 56.13 1pyy s GLU 300 Cb 0.00 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 31.08 1pyy s GLU 300 CO 0.00 0.49 0.66 0.42 0.02 0.00 0.00 175.26 176.85 1pyy s ILE 301 N -1.26 4.80 -0.26 -1.63 1.01 -0.06 -0.18 121.20 123.62 1pyy s ILE 301 Ca 0.41 0.17 0.20 0.00 0.00 0.00 0.00 60.65 61.44 1pyy s ILE 301 Cb -0.24 -4.22 0.08 0.00 0.01 0.00 0.00 42.46 38.09 1pyy s ILE 301 CO 0.29 -0.61 1.22 -0.07 0.00 0.00 0.00 174.94 175.77 1pyy h LEU 302 N 9.75 0.00 -7.00 2.97 3.38 -1.24 -3.10 115.31 120.06 1pyy h LEU 302 Ca -0.25 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.81 1pyy h LEU 302 Cb 1.09 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.57 1pyy h LEU 302 CO 0.90 0.19 0.48 0.00 0.09 0.00 0.00 178.44 180.10 1pyy s ALA 303 N -3.18 -2.12 -0.16 1.53 0.00 -1.12 -1.02 121.76 115.69 1pyy s ALA 303 Ca 0.02 1.98 -0.13 0.00 0.00 0.00 0.00 51.96 53.82 1pyy s ALA 303 Cb 0.08 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.66 1pyy s ALA 303 CO 0.75 -0.26 0.42 -0.08 0.00 0.00 0.00 175.76 176.59 1pyy s THR 304 N 0.63 -0.01 0.01 0.00 -1.32 -1.26 0.20 115.64 113.89 1pyy s THR 304 Ca -0.01 0.02 -0.19 0.00 -1.21 0.00 0.00 61.69 60.30 1pyy s THR 304 Cb -0.04 -0.59 0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1pyy s THR 304 CO -0.10 0.01 0.42 0.28 -2.21 0.00 0.00 174.62 173.01 1pyy s THR 305 N 0.52 0.05 0.16 5.08 -1.32 -0.74 -4.18 115.64 115.21 1pyy s THR 305 Ca -0.02 -0.41 -0.02 0.00 -1.21 0.00 0.00 61.69 60.03 1pyy s THR 305 Cb -0.04 -0.86 -0.03 0.00 -1.51 0.00 0.00 72.50 70.06 1pyy s THR 305 CO -0.03 -0.22 0.13 0.00 -2.21 0.00 0.00 174.62 172.29 1pyy s GLN 306 N -1.95 1.08 -0.01 7.08 -2.07 -1.26 -2.04 119.66 120.48 1pyy s GLN 306 Ca -0.09 -1.47 0.01 0.00 -1.82 0.00 0.00 55.36 51.99 1pyy s GLN 306 Cb -0.02 0.28 0.01 0.00 -1.09 0.00 0.00 33.01 32.18 1pyy s GLN 306 CO 0.01 -0.34 -0.02 1.03 -1.32 0.00 0.00 175.29 174.65 1pyy s ARG 307 N -4.08 0.24 0.77 9.60 1.81 -0.49 -3.96 118.95 122.84 1pyy s ARG 307 Ca 0.28 -0.04 -0.13 0.00 -1.72 0.00 0.00 55.73 54.12 1pyy s ARG 307 Cb 0.06 -0.30 0.06 0.00 -0.45 0.00 0.00 34.95 34.33 1pyy s ARG 307 CO 0.05 -0.00 1.17 -2.14 -0.68 0.00 0.00 175.30 173.70 1pyy s PRO 308 N 0.28 1.93 0.00 3.54 0.02 -1.26 -1.63 135.00 137.88 1pyy s PRO 308 Ca -0.03 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1pyy s PRO 308 Cb -0.05 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1pyy s PRO 308 CO -0.01 -1.96 0.00 -2.37 -0.33 0.00 0.00 177.00 172.33 1pyy n THR 309 N -3.17 0.00 -3.95 0.99 5.66 -1.25 -5.02 114.28 107.54 1pyy n THR 309 Ca 0.12 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.02 1pyy n THR 309 Cb 0.51 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 1pyy n THR 309 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1pyy s PHE 310 N -3.30 0.41 -0.46 1.09 -0.71 -1.26 -4.72 117.98 109.02 1pyy s PHE 310 Ca 0.00 -0.83 -0.17 0.00 -1.04 0.00 0.00 56.93 54.89 1pyy s PHE 310 Cb 0.00 0.36 0.05 0.00 -1.21 0.00 0.00 43.02 42.22 1pyy s PHE 310 CO 0.00 -1.21 0.44 0.34 -1.34 0.00 0.00 175.22 173.44 1pyy s ASP 311 N -3.08 6.17 0.55 1.98 -1.08 -0.10 -4.28 116.67 116.82 1pyy s ASP 311 Ca 0.21 -1.04 0.26 0.00 -0.52 0.00 0.00 52.55 51.46 1pyy s ASP 311 Cb -0.02 -2.21 1.46 0.00 -1.46 0.00 0.00 42.92 40.69 1pyy s ASP 311 CO 0.12 -0.65 2.02 0.00 0.52 0.00 0.00 175.17 177.18 1pyy h ALA 312 N 8.78 2.26 0.04 3.66 0.00 -1.78 0.31 119.26 132.52 1pyy h ALA 312 Ca -0.28 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1pyy h ALA 312 Cb 1.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1pyy h ALA 312 CO 0.86 -0.53 -1.03 0.22 0.00 0.00 0.00 179.25 178.76 1pyy h ASP 313 N 0.00 0.12 -0.02 0.00 3.58 -1.74 -3.37 116.42 114.99 1pyy h ASP 313 Ca 0.19 -0.73 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1pyy h ASP 313 Cb 0.84 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1pyy h ASP 313 CO -0.00 1.43 0.00 0.35 -2.88 0.00 0.00 179.24 178.13 1pyy n THR 314 N -4.30 0.01 -1.19 2.25 -2.24 -1.18 -4.92 114.28 102.71 1pyy n THR 314 Ca -0.25 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1pyy n THR 314 Cb 0.71 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 1pyy n THR 314 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pyy n LYS 315 N 0.34 -1.67 -2.44 -0.78 4.76 0.11 -4.93 118.16 113.55 1pyy n LYS 315 Ca 0.18 0.74 -0.37 0.00 -2.87 0.00 0.00 58.31 56.00 1pyy n LYS 315 Cb 0.39 -4.99 -0.03 0.00 -1.84 0.00 0.00 35.03 28.56 1pyy n LYS 315 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1pyy s GLU 316 N -2.63 4.02 0.00 1.97 2.12 -1.22 -3.19 118.70 119.77 1pyy s GLU 316 Ca 0.00 1.61 0.00 0.00 0.36 0.00 0.00 54.97 56.94 1pyy s GLU 316 Cb 0.00 -2.49 0.00 0.00 0.26 0.00 0.00 34.13 31.90 1pyy s GLU 316 CO 0.00 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 1pyy n GLY 317 N 0.37 3.24 3.23 -1.50 0.00 -1.26 -0.93 105.19 108.34 1pyy n GLY 317 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1pyy n GLY 317 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pyy n ILE 318 N -1.38 3.70 -1.22 -0.61 5.41 -1.19 -4.85 119.36 119.23 1pyy n ILE 318 Ca 0.00 -3.62 -0.09 0.00 1.00 0.00 0.00 62.75 60.05 1pyy n ILE 318 Cb 0.00 -2.45 0.06 0.00 -0.71 0.00 0.00 39.64 36.54 1pyy n ILE 318 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1pyy n THR 319 N 5.89 0.00 0.21 1.39 -2.24 -1.26 -4.94 114.28 113.33 1pyy n THR 319 Ca 0.50 -0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1pyy n THR 319 Cb 0.43 -1.79 0.20 0.00 -2.10 0.00 0.00 70.33 67.07 1pyy n THR 319 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1pyy h GLU 320 N 0.00 0.00 -0.73 -0.78 4.57 -2.03 -3.12 114.58 112.49 1pyy h GLU 320 Ca -0.13 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.72 1pyy h GLU 320 Cb 0.35 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 28.74 1pyy h GLU 320 CO 0.09 0.07 0.34 -0.25 -1.18 0.00 0.00 179.01 178.07 1pyy n ASP 321 N -3.12 3.66 -4.60 1.04 8.00 -1.26 -4.95 116.55 115.32 1pyy n ASP 321 Ca 0.03 -3.54 -0.40 0.00 0.71 0.00 0.00 54.79 51.59 1pyy n ASP 321 Cb 0.54 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 1pyy n ASP 321 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pyy s PHE 322 N -3.19 3.23 0.04 1.24 5.36 -1.18 -5.06 117.98 118.42 1pyy s PHE 322 Ca 0.53 0.48 -0.23 0.00 -0.96 0.00 0.00 56.93 56.75 1pyy s PHE 322 Cb 0.44 -2.78 -0.06 0.00 -0.34 0.00 0.00 43.02 40.29 1pyy s PHE 322 CO 0.08 -0.36 0.69 0.08 -1.46 0.00 0.00 175.22 174.25 1pyy s VAL 323 N 2.33 4.76 -0.82 3.12 1.01 -1.26 -4.95 120.40 124.59 1pyy s VAL 323 Ca 0.20 1.47 0.10 0.00 0.00 0.00 0.00 61.98 63.75 1pyy s VAL 323 Cb -0.16 -4.04 0.49 0.00 0.00 0.00 0.00 36.38 32.67 1pyy s VAL 323 CO 0.11 0.41 1.28 0.79 0.00 0.00 0.00 175.10 177.69 1pyy n TRP 324 N 2.58 1.15 -3.15 5.22 7.02 -1.26 -4.92 117.44 124.08 1pyy n TRP 324 Ca -0.05 -0.42 -0.39 0.00 -1.02 0.00 0.00 57.50 55.62 1pyy n TRP 324 Cb 0.50 -0.29 -0.06 0.00 -2.42 0.00 0.00 31.31 29.05 1pyy n TRP 324 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1pyy s ARG 325 N -1.95 4.35 -0.22 -0.99 1.70 -1.26 -4.99 118.95 115.59 1pyy s ARG 325 Ca 0.33 0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 56.30 1pyy s ARG 325 Cb 0.24 -3.27 -0.03 0.00 -0.57 0.00 0.00 34.95 31.32 1pyy s ARG 325 CO 0.12 0.56 0.52 0.34 -1.08 0.00 0.00 175.30 175.76 1pyy s ASP 326 N -0.93 6.52 0.36 -2.89 -1.08 -1.26 -4.97 116.67 112.42 1pyy s ASP 326 Ca 0.32 0.63 0.04 0.00 -0.52 0.00 0.00 52.55 53.02 1pyy s ASP 326 Cb -0.21 -2.29 0.69 0.00 -1.46 0.00 0.00 42.92 39.65 1pyy s ASP 326 CO 0.21 -0.22 2.01 0.40 0.52 0.00 0.00 175.17 178.09 1pyy h ILE 327 N 5.22 1.13 -0.85 4.11 2.04 -1.96 0.14 117.51 127.34 1pyy h ILE 327 Ca -0.32 -0.27 0.15 0.00 1.00 0.00 0.00 64.86 65.42 1pyy h ILE 327 Cb 1.15 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1pyy h ILE 327 CO 0.73 0.15 0.55 0.25 0.00 0.00 0.00 178.15 179.83 1pyy h LEU 328 N 0.80 0.54 -0.34 1.44 5.85 -1.94 -3.35 115.31 118.31 1pyy h LEU 328 Ca 0.24 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1pyy h LEU 328 Cb -0.02 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1pyy h LEU 328 CO -0.06 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 1pyy n TYR 329 N -4.53 0.00 -1.14 1.25 4.11 -1.15 -2.21 117.16 113.48 1pyy n TYR 329 Ca 0.17 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.15 1pyy n TYR 329 Cb 0.52 0.01 0.18 0.00 -0.00 0.00 0.00 39.34 40.05 1pyy n TYR 329 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1pyy n GLN 330 N 0.00 1.70 -3.91 -3.48 6.02 0.47 -0.58 117.38 117.60 1pyy n GLN 330 Ca 0.00 -2.76 -0.15 0.00 -0.01 0.00 0.00 57.00 54.07 1pyy n GLN 330 Cb 0.35 -1.61 -0.15 0.00 1.02 0.00 0.00 30.24 29.85 1pyy n GLN 330 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1pyy s SER 331 N -2.70 0.26 -0.17 1.08 0.01 -1.26 -4.82 113.70 106.10 1pyy s SER 331 Ca 0.36 -0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.52 1pyy s SER 331 Cb 0.31 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 1pyy s SER 331 CO 0.03 -0.06 0.13 0.20 0.41 0.00 0.00 173.24 173.95 1pyy s ASN 332 N 0.63 6.24 -0.05 2.44 0.01 -1.26 -4.22 114.94 118.73 1pyy s ASN 332 Ca -0.06 0.31 -0.14 0.00 -0.71 0.00 0.00 52.86 52.26 1pyy s ASN 332 Cb -0.09 -2.07 0.03 0.00 0.41 0.00 0.00 41.25 39.53 1pyy s ASN 332 CO -0.01 0.26 0.31 -0.72 -1.51 0.00 0.00 177.10 175.43 1pyy s TYR 333 N -0.15 -0.23 -0.21 2.20 1.13 -0.29 -4.87 117.35 114.93 1pyy s TYR 333 Ca 0.10 0.44 -0.29 0.00 -1.41 0.00 0.00 57.07 55.92 1pyy s TYR 333 Cb -0.11 0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.81 1pyy s TYR 333 CO 0.00 -0.32 1.92 -1.21 -2.51 0.00 0.00 175.55 173.43 1pyy s GLU 334 N -0.87 3.49 0.24 -3.49 2.02 -1.25 -0.34 118.70 118.49 1pyy s GLU 334 Ca -0.09 1.85 -0.06 0.00 0.02 0.00 0.00 54.97 56.69 1pyy s GLU 334 Cb -0.04 -4.21 0.34 0.00 0.10 0.00 0.00 34.13 30.31 1pyy s GLU 334 CO 0.03 -1.68 1.82 -1.35 0.02 0.00 0.00 175.26 174.11 1pyy h PRO 335 N 12.77 0.81 0.00 0.39 0.11 -1.74 -3.45 132.00 140.89 1pyy h PRO 335 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pyy h PRO 335 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1pyy h PRO 335 CO 0.99 0.53 0.00 0.41 -0.21 0.00 0.00 178.00 179.72 1pyy n GLY 336 N -1.32 -0.82 0.05 -0.55 0.00 -0.09 -4.36 105.19 98.10 1pyy n GLY 336 Ca 0.12 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1pyy n GLY 336 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pyy n SER 337 N 0.40 0.31 0.21 1.61 3.41 -1.09 -1.73 113.62 116.73 1pyy n SER 337 Ca 0.00 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.20 1pyy n SER 337 Cb 0.00 -0.62 0.46 0.00 -0.26 0.00 0.00 64.21 63.79 1pyy n SER 337 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pyy h ALA 338 N 2.66 1.45 0.00 7.33 0.00 -1.76 -1.33 119.26 127.61 1pyy h ALA 338 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pyy h ALA 338 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pyy h ALA 338 CO 0.00 0.34 0.00 0.35 0.00 0.00 0.00 179.25 179.94 1pyy h PHE 339 N 0.00 0.00 0.00 0.00 3.57 -1.61 -2.70 116.94 116.19 1pyy h PHE 339 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pyy h PHE 339 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1pyy h PHE 339 CO 0.00 0.00 0.02 0.87 -2.23 0.00 0.00 178.31 176.97 1pyy h LYS 340 N 0.00 0.00 -0.29 1.11 1.57 -1.43 -1.29 116.57 116.25 1pyy h LYS 340 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pyy h LYS 340 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1pyy h LYS 340 CO 0.00 0.00 0.19 0.28 -0.57 0.00 0.00 179.45 179.35 1pyy h VAL 341 N 0.00 1.08 -0.19 0.50 2.07 -1.70 -0.19 116.25 117.81 1pyy h VAL 341 Ca 0.00 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 1pyy h VAL 341 Cb 0.04 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pyy h VAL 341 CO 0.00 0.07 -0.35 0.24 0.02 0.00 0.00 177.57 177.55 1pyy h MET 342 N 0.39 0.41 -0.25 1.57 2.86 -1.49 -0.41 114.93 118.01 1pyy h MET 342 Ca 0.10 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1pyy h MET 342 Cb -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1pyy h MET 342 CO -0.02 0.71 0.01 1.98 1.06 0.00 0.00 176.91 180.65 1pyy h MET 343 N 0.35 0.43 0.08 1.72 -1.53 -1.42 -1.65 114.93 112.90 1pyy h MET 343 Ca 0.04 -0.13 -0.00 0.00 -3.44 0.00 0.00 59.70 56.16 1pyy h MET 343 Cb 0.79 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.80 1pyy h MET 343 CO 0.06 0.60 -0.04 1.25 0.14 0.00 0.00 176.91 178.92 1pyy h LEU 344 N 0.21 -0.09 -0.98 3.39 5.85 -0.83 0.33 115.31 123.21 1pyy h LEU 344 Ca 0.07 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1pyy h LEU 344 Cb 0.40 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1pyy h LEU 344 CO 0.01 -0.02 0.62 0.00 -0.34 0.00 0.00 178.44 178.70 1pyy h ALA 345 N 0.78 1.40 -0.29 1.25 0.00 -1.05 -0.80 119.26 120.55 1pyy h ALA 345 Ca -0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1pyy h ALA 345 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pyy h ALA 345 CO 0.02 0.32 -0.45 0.00 0.00 0.00 0.00 179.25 179.13 1pyy h ALA 346 N 1.48 0.66 -0.51 0.00 0.00 -1.04 -1.50 119.26 118.35 1pyy h ALA 346 Ca 0.45 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pyy h ALA 346 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1pyy h ALA 346 CO -0.21 0.67 0.25 0.00 0.00 0.00 0.00 179.25 179.96 1pyy h ALA 347 N 0.89 0.65 -0.08 0.00 0.00 0.17 -0.32 119.26 120.58 1pyy h ALA 347 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pyy h ALA 347 Cb 1.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1pyy h ALA 347 CO 0.10 0.21 -0.01 0.82 0.00 0.00 0.00 179.25 180.36 1pyy h ILE 348 N 0.67 1.28 -0.88 0.00 2.04 -1.16 0.74 117.51 120.21 1pyy h ILE 348 Ca 0.18 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.22 1pyy h ILE 348 Cb 0.10 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1pyy h ILE 348 CO -0.02 0.25 0.57 -0.78 0.00 0.00 0.00 178.15 178.16 1pyy h ASP 349 N -0.18 0.81 -0.01 1.72 3.58 -1.13 0.99 116.42 122.20 1pyy h ASP 349 Ca 0.02 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1pyy h ASP 349 Cb 0.40 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1pyy h ASP 349 CO 0.01 0.49 0.00 -3.20 -2.88 0.00 0.00 179.24 173.66 1pyy n ASN 350 N -4.51 0.31 -3.48 2.28 5.15 -0.14 -4.90 115.26 109.96 1pyy n ASN 350 Ca 0.14 -1.22 -0.25 0.00 -0.60 0.00 0.00 54.58 52.66 1pyy n ASN 350 Cb 0.28 -0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.57 1pyy n ASN 350 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1pyy n ASN 351 N -0.70 -5.88 -2.40 1.20 4.05 0.34 -4.89 115.26 106.98 1pyy n ASN 351 Ca 0.20 -0.50 -0.15 0.00 0.45 0.00 0.00 54.58 54.58 1pyy n ASN 351 Cb 0.15 -4.68 0.03 0.00 1.23 0.00 0.00 39.78 36.50 1pyy n ASN 351 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1pyy n THR 352 N -4.75 1.96 -3.84 -0.44 -2.24 0.21 -4.94 114.28 100.24 1pyy n THR 352 Ca -0.02 -3.75 -0.30 0.00 -2.27 0.00 0.00 64.05 57.72 1pyy n THR 352 Cb 0.57 -0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.51 1pyy n THR 352 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pyy s PHE 353 N -3.63 2.71 -1.38 4.78 5.36 -1.19 -4.80 117.98 119.83 1pyy s PHE 353 Ca 0.40 -2.89 -0.13 0.00 -0.96 0.00 0.00 56.93 53.36 1pyy s PHE 353 Cb 0.38 -2.41 0.09 0.00 -0.34 0.00 0.00 43.02 40.74 1pyy s PHE 353 CO -0.01 -0.74 2.03 -0.35 -1.46 0.00 0.00 175.22 174.69 1pyy n PRO 354 N 3.15 3.14 -0.34 10.12 -0.04 -1.26 -4.84 135.00 144.94 1pyy n PRO 354 Ca 0.08 -3.01 0.31 0.00 -0.04 0.00 0.00 63.50 60.84 1pyy n PRO 354 Cb 0.34 -3.19 0.55 0.00 -0.04 0.00 0.00 33.50 31.15 1pyy n PRO 354 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pyy n GLY 355 N 3.86 -0.69 0.03 0.55 0.00 -1.26 -0.08 105.19 107.60 1pyy n GLY 355 Ca 0.47 0.68 0.11 0.00 0.00 0.00 0.00 46.02 47.29 1pyy n GLY 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyy n GLY 356 N -1.34 -1.25 3.77 -0.02 0.00 -1.26 -1.29 105.19 103.80 1pyy n GLY 356 Ca 0.34 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1pyy n GLY 356 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pyy s GLU 357 N -3.15 3.85 -0.07 1.61 2.12 0.88 -4.71 118.70 119.23 1pyy s GLU 357 Ca 0.06 2.27 -0.10 0.00 0.36 0.00 0.00 54.97 57.55 1pyy s GLU 357 Cb 0.15 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.78 1pyy s GLU 357 CO 0.77 -0.63 0.25 0.08 -0.54 0.00 0.00 175.26 175.19 1pyy s VAL 358 N -1.24 5.31 0.21 3.70 1.01 -1.26 -0.93 120.40 127.21 1pyy s VAL 358 Ca 0.59 0.47 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1pyy s VAL 358 Cb -0.40 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1pyy s VAL 358 CO 0.52 0.60 -0.06 0.72 0.00 0.00 0.00 175.10 176.88 1pyy s PHE 359 N -1.01 1.57 -0.26 5.22 -0.71 0.63 -4.95 117.98 118.47 1pyy s PHE 359 Ca 0.18 -0.79 -0.11 0.00 -1.04 0.00 0.00 56.93 55.18 1pyy s PHE 359 Cb -0.14 -0.85 -0.05 0.00 -1.21 0.00 0.00 43.02 40.77 1pyy s PHE 359 CO 0.08 0.11 0.19 1.21 -1.34 0.00 0.00 175.22 175.47 1pyy s ASN 360 N -3.29 6.09 -0.02 1.98 3.84 -1.26 -2.18 114.94 120.09 1pyy s ASN 360 Ca 0.24 0.08 0.01 0.00 0.21 0.00 0.00 52.86 53.40 1pyy s ASN 360 Cb 0.03 -2.12 0.07 0.00 -0.55 0.00 0.00 41.25 38.68 1pyy s ASN 360 CO 0.07 -0.01 0.63 -1.54 -2.79 0.00 0.00 177.10 173.46 1pyy n SER 361 N 4.70 1.48 -4.77 -4.21 3.41 0.63 -4.89 113.62 109.97 1pyy n SER 361 Ca -0.14 -2.08 -0.38 0.00 -0.26 0.00 0.00 58.87 56.01 1pyy n SER 361 Cb 0.52 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1pyy n SER 361 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pyy s SER 362 N -0.02 6.57 0.16 4.04 0.01 -1.26 -2.86 113.70 120.33 1pyy s SER 362 Ca 0.05 2.29 -0.27 0.00 1.31 0.00 0.00 55.95 59.33 1pyy s SER 362 Cb 0.03 -2.61 -0.16 0.00 0.21 0.00 0.00 66.02 63.50 1pyy s SER 362 CO 0.01 -0.64 0.53 1.21 0.41 0.00 0.00 173.24 174.76 1pyy n GLU 363 N 0.06 0.00 -4.25 12.44 2.13 -1.26 -4.85 120.64 124.90 1pyy n GLU 363 Ca 0.04 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.57 1pyy n GLU 363 Cb 0.47 -0.96 -0.10 0.00 0.27 0.00 0.00 31.44 31.12 1pyy n GLU 363 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1pyy s LEU 364 N 2.34 2.95 -0.07 4.31 1.43 0.13 -4.98 118.68 124.78 1pyy s LEU 364 Ca 0.61 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1pyy s LEU 364 Cb -0.87 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1pyy s LEU 364 CO 0.50 0.16 -0.22 -0.54 0.23 0.00 0.00 176.35 176.49 1pyy s LYS 365 N -2.30 2.66 -0.22 1.70 -0.14 -1.26 -1.46 119.74 118.71 1pyy s LYS 365 Ca 0.21 -0.84 -0.04 0.00 -1.36 0.00 0.00 55.97 53.93 1pyy s LYS 365 Cb -0.11 -2.26 0.08 0.00 -1.68 0.00 0.00 37.83 33.87 1pyy s LYS 365 CO 0.13 0.40 0.12 0.42 -0.76 0.00 0.00 175.35 175.65 1pyy s ILE 366 N -0.18 -0.10 -1.33 2.17 1.01 -0.48 -4.90 121.20 117.39 1pyy s ILE 366 Ca -0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1pyy s ILE 366 Cb -0.14 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 1pyy s ILE 366 CO 0.03 -0.46 0.54 0.00 0.00 0.00 0.00 174.94 175.05 1pyy n ALA 367 N 5.27 -2.14 -0.39 9.38 0.00 -1.26 -1.25 120.51 130.12 1pyy n ALA 367 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1pyy n ALA 367 Cb 0.46 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1pyy n ALA 367 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pyy n ASP 368 N -2.91 0.00 -4.92 0.00 5.75 -1.26 -5.00 116.55 108.20 1pyy n ASP 368 Ca -0.26 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.26 1pyy n ASP 368 Cb 0.66 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 1pyy n ASP 368 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pyy s ALA 369 N -2.90 3.70 0.02 2.12 0.00 -0.38 -5.10 121.76 119.21 1pyy s ALA 369 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.29 1pyy s ALA 369 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 1pyy s ALA 369 CO 0.00 0.18 -0.26 0.99 0.00 0.00 0.00 175.76 176.67 1pyy s THR 370 N -2.13 2.08 -0.12 0.00 2.01 -1.26 -1.38 115.64 114.84 1pyy s THR 370 Ca 0.41 -1.26 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1pyy s THR 370 Cb -0.10 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.67 1pyy s THR 370 CO 0.32 0.46 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.99 1pyy s ILE 371 N -0.72 1.13 0.07 1.82 1.01 -0.53 -5.00 121.20 118.98 1pyy s ILE 371 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1pyy s ILE 371 Cb -0.10 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1pyy s ILE 371 CO 0.01 0.38 -0.05 0.00 0.00 0.00 0.00 174.94 175.28 1pyy s ARG 372 N 1.62 0.72 0.07 2.79 1.70 -1.26 -0.70 118.95 123.88 1pyy s ARG 372 Ca 0.04 -1.27 -0.20 0.00 -0.47 0.00 0.00 55.73 53.83 1pyy s ARG 372 Cb -0.13 0.02 -0.07 0.00 -0.57 0.00 0.00 34.95 34.20 1pyy s ARG 372 CO -0.08 -0.07 0.59 -0.51 -1.08 0.00 0.00 175.30 174.15 1pyy s ASP 373 N -2.98 7.08 0.10 -2.89 1.11 -1.26 -4.65 116.67 113.17 1pyy s ASP 373 Ca 0.09 1.28 -0.25 0.00 0.18 0.00 0.00 52.55 53.85 1pyy s ASP 373 Cb 0.07 -2.37 0.08 0.00 1.07 0.00 0.00 42.92 41.76 1pyy s ASP 373 CO -0.08 0.24 0.67 -1.66 1.18 0.00 0.00 175.17 175.52 1pyy s TRP 374 N -0.93 -0.52 0.02 4.23 1.48 -1.26 -2.47 118.94 119.50 1pyy s TRP 374 Ca 0.30 0.41 0.05 0.00 -1.06 0.00 0.00 56.10 55.80 1pyy s TRP 374 Cb -0.20 0.54 -0.02 0.00 -1.16 0.00 0.00 33.47 32.63 1pyy s TRP 374 CO 0.19 -0.76 -0.16 0.34 -4.06 0.00 0.00 176.95 172.51 1pyy s ASP 375 N -2.48 1.85 0.62 -2.66 2.15 0.13 -4.90 116.67 111.38 1pyy s ASP 375 Ca 0.00 -0.41 0.38 0.00 0.43 0.00 0.00 52.55 52.95 1pyy s ASP 375 Cb -0.01 -0.15 2.06 0.00 -0.30 0.00 0.00 42.92 44.52 1pyy s ASP 375 CO -0.09 0.11 2.27 0.58 -0.17 0.00 0.00 175.17 177.86 1pyy h VAL 376 N 4.56 0.19 0.00 1.11 2.07 -2.02 -0.62 116.25 121.54 1pyy h VAL 376 Ca -0.38 -0.13 -0.31 0.00 0.82 0.00 0.00 66.70 66.70 1pyy h VAL 376 Cb 1.17 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 1pyy h VAL 376 CO 0.45 0.02 -2.01 -3.20 0.02 0.00 0.00 177.57 172.84 1pyy n ASN 377 N -3.33 1.45 0.09 0.57 2.85 -1.26 -4.67 115.26 110.96 1pyy n ASN 377 Ca -0.02 0.25 0.13 0.00 -0.11 0.00 0.00 54.58 54.82 1pyy n ASN 377 Cb 0.12 -0.60 0.45 0.00 1.24 0.00 0.00 39.78 40.99 1pyy n ASN 377 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1pyy n GLU 378 N -3.93 0.19 0.00 1.20 1.02 -1.23 -5.02 120.64 112.87 1pyy n GLU 378 Ca -0.37 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1pyy n GLU 378 Cb 0.75 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1pyy n GLU 378 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pyy n GLY 379 N 0.91 0.31 3.68 0.62 0.00 -0.24 -4.78 105.19 105.69 1pyy n GLY 379 Ca 0.05 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1pyy n GLY 379 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyy s LEU 380 N 0.00 4.27 -0.02 0.99 1.43 -1.26 -0.70 118.68 123.40 1pyy s LEU 380 Ca 0.00 1.91 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 1pyy s LEU 380 Cb 0.00 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.73 1pyy s LEU 380 CO 0.00 -0.69 1.04 0.35 0.23 0.00 0.00 176.35 177.29 1pyy n THR 381 N 4.84 1.11 -1.23 5.49 -2.24 -1.03 -4.94 114.28 116.29 1pyy n THR 381 Ca 0.13 -1.15 -0.15 0.00 -2.27 0.00 0.00 64.05 60.61 1pyy n THR 381 Cb 0.45 0.41 0.11 0.00 -2.10 0.00 0.00 70.33 69.20 1pyy n THR 381 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyy n GLY 382 N -0.53 -1.74 2.03 3.38 0.00 -1.24 -4.53 105.19 102.56 1pyy n GLY 382 Ca 0.03 -1.62 -0.00 0.00 0.00 0.00 0.00 46.02 44.43 1pyy n GLY 382 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyy n GLY 383 N 0.12 0.47 3.85 -0.02 0.00 -1.13 -4.86 105.19 103.61 1pyy n GLY 383 Ca 0.08 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1pyy n GLY 383 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyy s ARG 384 N -0.75 2.55 -0.16 1.61 1.81 -1.26 -4.84 118.95 117.92 1pyy s ARG 384 Ca 0.00 -1.49 -0.03 0.00 -1.72 0.00 0.00 55.73 52.48 1pyy s ARG 384 Cb 0.00 -2.36 -0.02 0.00 -0.45 0.00 0.00 34.95 32.11 1pyy s ARG 384 CO 0.00 -0.09 -0.05 -1.64 -0.68 0.00 0.00 175.30 172.84 1pyy s MET 385 N -4.06 3.61 -0.04 3.54 -1.94 -1.26 -0.27 119.30 118.88 1pyy s MET 385 Ca 0.45 -0.55 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 1pyy s MET 385 Cb -0.03 -2.89 0.02 0.00 2.01 0.00 0.00 34.83 33.94 1pyy s MET 385 CO 0.27 0.20 0.28 -1.64 -0.01 0.00 0.00 175.02 174.12 1pyy s MET 386 N 0.46 0.54 0.61 2.03 -1.94 -0.93 -4.98 119.30 115.09 1pyy s MET 386 Ca -0.04 -0.03 -0.19 0.00 -1.71 0.00 0.00 55.69 53.71 1pyy s MET 386 Cb -0.14 0.24 -0.03 0.00 2.01 0.00 0.00 34.83 36.91 1pyy s MET 386 CO 0.03 -0.13 1.28 0.95 -0.01 0.00 0.00 175.02 177.14 1pyy s THR 387 N -0.87 2.24 0.51 2.05 -4.23 -1.26 -0.27 115.64 113.82 1pyy s THR 387 Ca -0.09 0.16 0.19 0.00 -1.18 0.00 0.00 61.69 60.76 1pyy s THR 387 Cb -0.05 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 71.06 1pyy s THR 387 CO 0.03 -0.03 2.06 -0.26 -0.54 0.00 0.00 174.62 175.88 1pyy h PHE 388 N 0.87 0.07 -0.35 3.99 0.04 -0.99 0.11 116.94 120.69 1pyy h PHE 388 Ca -0.51 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.15 1pyy h PHE 388 Cb 1.32 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 1pyy h PHE 388 CO 0.44 0.04 -0.25 1.03 -0.60 0.00 0.00 178.31 178.97 1pyy h SER 389 N 0.07 0.71 0.95 2.17 0.87 -1.47 -2.58 113.55 114.27 1pyy h SER 389 Ca 0.14 -0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1pyy h SER 389 Cb 0.48 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1pyy h SER 389 CO -0.01 0.93 -0.56 1.56 -0.53 0.00 0.00 176.83 178.23 1pyy h GLN 390 N 0.61 0.00 -0.59 2.24 4.20 -1.09 -3.03 115.11 117.45 1pyy h GLN 390 Ca 0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1pyy h GLN 390 Cb 0.74 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1pyy h GLN 390 CO 0.06 0.56 0.10 0.78 -0.67 0.00 0.00 178.83 179.65 1pyy h GLY 391 N 2.46 1.04 0.96 3.46 0.00 -0.83 0.75 103.07 110.91 1pyy h GLY 391 Ca -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 1pyy h GLY 391 CO 0.07 0.64 0.20 -2.75 0.00 0.00 0.00 176.54 174.70 1pyy h PHE 392 N 0.87 0.64 -0.09 5.60 3.57 -1.41 0.42 116.94 126.53 1pyy h PHE 392 Ca 0.18 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1pyy h PHE 392 Cb 0.41 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1pyy h PHE 392 CO 0.03 0.53 -0.28 0.00 -2.23 0.00 0.00 178.31 176.36 1pyy h ALA 393 N 1.05 1.37 -0.39 2.41 0.00 -1.39 -2.22 119.26 120.08 1pyy h ALA 393 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pyy h ALA 393 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pyy h ALA 393 CO -0.02 0.45 0.00 1.58 0.00 0.00 0.00 179.25 181.26 1pyy n HIS 394 N -4.15 0.52 -4.00 0.00 -0.00 0.24 -1.90 115.22 105.92 1pyy n HIS 394 Ca -0.01 -0.26 -0.26 0.00 -0.00 0.00 0.00 57.72 57.18 1pyy n HIS 394 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.33 1pyy n HIS 394 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1pyy n SER 395 N 1.02 -0.47 -4.71 0.26 2.88 0.12 -4.88 113.62 107.84 1pyy n SER 395 Ca 0.18 -1.02 -0.42 0.00 -1.33 0.00 0.00 58.87 56.28 1pyy n SER 395 Cb 0.47 -2.94 -0.03 0.00 -0.75 0.00 0.00 64.21 60.96 1pyy n SER 395 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1pyy s SER 396 N -4.29 7.15 0.12 -3.46 0.15 0.40 -4.91 113.70 108.87 1pyy s SER 396 Ca 0.06 1.94 -0.02 0.00 0.70 0.00 0.00 55.95 58.63 1pyy s SER 396 Cb -0.03 -2.58 -0.14 0.00 -1.71 0.00 0.00 66.02 61.56 1pyy s SER 396 CO 0.90 -0.42 1.27 0.78 1.20 0.00 0.00 173.24 176.97 1pyy h ASN 397 N 6.79 0.38 -0.55 5.45 2.35 -1.90 -3.15 115.58 124.95 1pyy h ASN 397 Ca -0.41 -0.34 -0.10 0.00 -0.55 0.00 0.00 56.30 54.89 1pyy h ASN 397 Cb 1.22 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 1pyy h ASN 397 CO 0.80 1.19 -0.04 0.58 -1.65 0.00 0.00 177.43 178.31 1pyy h VAL 398 N 0.13 1.27 0.28 2.81 2.07 -1.89 -1.12 116.25 119.80 1pyy h VAL 398 Ca -0.08 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1pyy h VAL 398 Cb 1.70 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1pyy h VAL 398 CO 0.17 0.42 -0.17 1.23 0.02 0.00 0.00 177.57 179.23 1pyy h GLY 399 N 0.88 -0.45 0.77 2.17 0.00 -1.91 0.26 103.07 104.79 1pyy h GLY 399 Ca 0.15 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.73 1pyy h GLY 399 CO 0.04 -0.18 0.58 -0.33 0.00 0.00 0.00 176.54 176.65 1pyy h MET 400 N -0.44 1.04 -0.61 4.80 2.07 -1.51 -0.82 114.93 119.46 1pyy h MET 400 Ca -0.03 -0.06 -0.06 0.00 -2.07 0.00 0.00 59.70 57.48 1pyy h MET 400 Cb 0.37 -0.24 -0.03 0.00 -1.87 0.00 0.00 31.60 29.84 1pyy h MET 400 CO 0.03 0.69 0.16 1.15 1.07 0.00 0.00 176.91 180.00 1pyy h THR 401 N 1.07 1.25 -0.73 2.22 2.02 -0.76 -0.89 112.91 117.09 1pyy h THR 401 Ca 0.39 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1pyy h THR 401 Cb 0.12 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1pyy h THR 401 CO -0.16 0.34 0.34 -0.07 0.37 0.00 0.00 175.52 176.34 1pyy h LEU 402 N 0.88 0.95 -0.72 2.58 3.38 0.04 -0.22 115.31 122.22 1pyy h LEU 402 Ca 0.19 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1pyy h LEU 402 Cb 0.34 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1pyy h LEU 402 CO 0.00 0.81 0.17 -0.07 0.09 0.00 0.00 178.44 179.44 1pyy h LEU 403 N 1.04 1.09 -1.17 1.67 3.38 -0.67 -1.06 115.31 119.60 1pyy h LEU 403 Ca 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1pyy h LEU 403 Cb 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1pyy h LEU 403 CO -0.03 1.04 0.04 -0.08 0.09 0.00 0.00 178.44 179.50 1pyy h GLU 404 N 1.09 0.62 -0.25 1.13 4.22 -0.47 -1.97 114.58 118.94 1pyy h GLU 404 Ca 0.22 -0.13 -0.14 0.00 0.08 0.00 0.00 59.36 59.39 1pyy h GLU 404 Cb 0.38 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1pyy h GLU 404 CO 0.00 0.61 -0.44 1.96 -2.18 0.00 0.00 179.01 178.97 1pyy h GLN 405 N 0.60 0.62 -0.32 1.92 1.08 -0.25 0.29 115.11 119.05 1pyy h GLN 405 Ca 0.13 -0.34 -0.08 0.00 -1.45 0.00 0.00 58.65 56.91 1pyy h GLN 405 Cb 0.32 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1pyy h GLN 405 CO 0.01 0.94 -0.15 0.87 -0.95 0.00 0.00 178.83 179.55 1pyy h LYS 406 N 0.50 0.56 -0.01 1.46 1.57 -0.87 -3.16 116.57 116.63 1pyy h LYS 406 Ca 0.03 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1pyy h LYS 406 Cb 0.97 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1pyy h LYS 406 CO 0.09 0.69 -0.04 1.98 -0.57 0.00 0.00 179.45 181.60 1pyy h MET 407 N 0.51 0.04 0.00 3.15 4.05 -1.07 -3.50 114.93 118.11 1pyy h MET 407 Ca 0.09 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1pyy h MET 407 Cb 0.56 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1pyy h MET 407 CO 0.04 0.72 0.00 0.41 0.23 0.00 0.00 176.91 178.31 1pyy n GLY 408 N 0.79 2.59 0.17 1.39 0.00 0.98 -4.59 105.19 106.52 1pyy n GLY 408 Ca -0.09 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 1pyy n GLY 408 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pyy h ASP 409 N 0.00 -0.30 -0.64 1.61 3.32 -1.90 -2.26 116.42 116.25 1pyy h ASP 409 Ca 0.00 -0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.14 1pyy h ASP 409 Cb 0.00 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.53 1pyy h ASP 409 CO 0.00 -0.15 0.10 0.00 -1.72 0.00 0.00 179.24 177.47 1pyy h ALA 410 N 0.29 0.74 -0.37 3.45 0.00 -1.97 0.30 119.26 121.71 1pyy h ALA 410 Ca -0.04 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1pyy h ALA 410 Cb 0.33 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1pyy h ALA 410 CO 0.06 -0.34 -0.27 1.15 0.00 0.00 0.00 179.25 179.84 1pyy h THR 411 N 0.21 1.28 -0.29 0.00 2.02 -1.79 -1.34 112.91 113.00 1pyy h THR 411 Ca 0.35 -1.40 -0.16 0.00 0.77 0.00 0.00 66.41 65.96 1pyy h THR 411 Cb 0.55 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1pyy h THR 411 CO -0.47 0.46 -0.47 -0.25 0.37 0.00 0.00 175.52 175.16 1pyy h TRP 412 N 0.65 0.94 -0.64 3.16 -0.00 -0.78 -1.88 115.95 117.41 1pyy h TRP 412 Ca 0.08 -0.30 -0.07 0.00 -0.00 0.00 0.00 58.89 58.60 1pyy h TRP 412 Cb 0.79 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.74 1pyy h TRP 412 CO 0.04 1.09 0.12 1.25 -0.00 0.00 0.00 178.44 180.93 1pyy h LEU 413 N 0.61 0.98 -0.88 0.65 5.85 -0.87 -0.26 115.31 121.40 1pyy h LEU 413 Ca 0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1pyy h LEU 413 Cb 1.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1pyy h LEU 413 CO 0.10 0.97 0.56 -0.78 -0.34 0.00 0.00 178.44 178.95 1pyy h ASP 414 N 0.97 1.03 -0.09 1.25 3.58 -0.97 -0.93 116.42 121.26 1pyy h ASP 414 Ca 0.20 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.53 1pyy h ASP 414 Cb 0.40 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1pyy h ASP 414 CO 0.01 0.77 -0.14 1.88 -2.88 0.00 0.00 179.24 178.88 1pyy h TYR 415 N 1.20 0.47 -0.17 0.28 0.05 -0.49 0.54 116.97 118.84 1pyy h TYR 415 Ca 0.32 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.98 1pyy h TYR 415 Cb -0.10 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 1pyy h TYR 415 CO -0.01 0.56 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.48 1pyy h LEU 416 N 0.40 0.26 -0.06 3.88 3.38 0.07 -0.80 115.31 122.44 1pyy h LEU 416 Ca 0.08 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1pyy h LEU 416 Cb 0.48 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pyy h LEU 416 CO 0.03 0.41 -1.03 0.78 0.09 0.00 0.00 178.44 178.72 1pyy h ASN 417 N 0.26 0.73 -0.08 -0.43 2.35 -0.15 -2.22 115.58 116.04 1pyy h ASN 417 Ca 0.05 -0.60 -0.02 0.00 -0.55 0.00 0.00 56.30 55.18 1pyy h ASN 417 Cb 0.38 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1pyy h ASN 417 CO 0.02 1.40 -0.00 0.03 -1.65 0.00 0.00 177.43 177.24 1pyy h ARG 418 N 0.30 0.23 -0.00 0.81 3.08 -0.40 0.61 114.38 119.01 1pyy h ARG 418 Ca -0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1pyy h ARG 418 Cb 1.68 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.69 1pyy h ARG 418 CO 0.19 0.26 -0.09 1.19 -1.07 0.00 0.00 179.97 180.45 1pyy n PHE 419 N -4.40 0.00 -2.41 3.04 3.72 -0.36 -4.49 117.46 112.57 1pyy n PHE 419 Ca -0.01 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.23 1pyy n PHE 419 Cb 0.17 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1pyy n PHE 419 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1pyy n LYS 420 N -0.84 -1.77 -2.54 -1.08 5.02 0.20 -4.75 118.16 112.41 1pyy n LYS 420 Ca 0.16 0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 56.87 1pyy n LYS 420 Cb 0.27 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.08 1pyy n LYS 420 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1pyy s PHE 421 N -2.85 3.00 0.00 2.13 0.08 -0.86 -3.23 117.98 116.25 1pyy s PHE 421 Ca 0.05 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.67 1pyy s PHE 421 Cb -0.02 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1pyy s PHE 421 CO 0.06 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 1pyy n GLY 422 N -0.27 0.91 2.98 4.36 0.00 -1.16 -4.81 105.19 107.20 1pyy n GLY 422 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1pyy n GLY 422 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pyy s VAL 423 N -2.75 0.94 0.47 1.61 1.01 -1.10 -4.71 120.40 115.87 1pyy s VAL 423 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 1pyy s VAL 423 Cb 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1pyy s VAL 423 CO 0.00 0.31 1.24 -2.65 0.00 0.00 0.00 175.10 174.01 1pyy n PRO 424 N 3.91 1.74 0.15 2.72 -0.02 -1.26 -4.88 135.00 137.36 1pyy n PRO 424 Ca -0.23 0.63 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 1pyy n PRO 424 Cb 0.51 -2.38 0.36 0.00 -0.02 0.00 0.00 33.50 31.97 1pyy n PRO 424 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1pyy h THR 425 N 1.75 1.22 -4.67 3.45 1.35 -1.92 -3.47 112.91 110.63 1pyy h THR 425 Ca -0.48 -1.05 -0.30 0.00 -0.55 0.00 0.00 66.41 64.03 1pyy h THR 425 Cb 1.31 1.46 0.11 0.00 -1.73 0.00 0.00 68.15 69.29 1pyy h THR 425 CO 0.58 0.31 -0.52 0.54 -0.25 0.00 0.00 175.52 176.18 1pyy n ARG 426 N -4.18 -5.95 0.00 4.72 1.74 -1.26 -4.91 116.66 106.83 1pyy n ARG 426 Ca -0.01 0.63 0.09 0.00 -0.77 0.00 0.00 57.85 57.78 1pyy n ARG 426 Cb 0.35 -5.06 0.42 0.00 -1.02 0.00 0.00 32.46 27.15 1pyy n ARG 426 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1pyy n PHE 427 N -4.30 0.00 0.00 -1.55 -1.74 -1.26 -4.34 117.46 104.26 1pyy n PHE 427 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 1pyy n PHE 427 Cb 0.55 -0.43 0.00 0.00 1.52 0.00 0.00 39.48 41.12 1pyy n PHE 427 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1pyy n GLY 428 N 0.38 4.13 3.76 4.97 0.00 -1.26 -4.75 105.19 112.42 1pyy n GLY 428 Ca 0.06 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1pyy n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyy s LEU 429 N 0.00 4.42 0.61 0.99 1.43 -1.26 -4.82 118.68 120.05 1pyy s LEU 429 Ca 0.00 2.30 -0.17 0.00 -1.03 0.00 0.00 54.13 55.23 1pyy s LEU 429 Cb 0.00 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 1pyy s LEU 429 CO 0.00 -0.33 1.11 0.42 0.23 0.00 0.00 176.35 177.79 1pyy s THR 430 N -1.27 3.24 -1.16 5.49 -4.23 -1.26 -4.12 115.64 112.33 1pyy s THR 430 Ca 0.49 0.65 -0.13 0.00 -1.18 0.00 0.00 61.69 61.52 1pyy s THR 430 Cb -0.31 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.32 1pyy s THR 430 CO 0.40 -0.29 0.79 -0.67 -0.54 0.00 0.00 174.62 174.32 1pyy n ASP 431 N -1.97 -4.66 -4.78 3.99 2.03 -1.26 -4.99 116.55 104.91 1pyy n ASP 431 Ca 0.11 -0.90 -0.37 0.00 0.52 0.00 0.00 54.79 54.14 1pyy n ASP 431 Cb 0.52 -3.95 -0.06 0.00 -0.72 0.00 0.00 41.12 36.90 1pyy n ASP 431 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1pyy s GLU 432 N -5.61 4.06 1.00 -0.67 2.12 -1.26 -4.70 118.70 113.64 1pyy s GLU 432 Ca 0.36 0.26 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 1pyy s GLU 432 Cb -0.10 -3.33 0.19 0.00 0.26 0.00 0.00 34.13 31.15 1pyy s GLU 432 CO 0.82 0.45 1.10 0.71 -0.54 0.00 0.00 175.26 177.80 1pyy s TYR 433 N -0.24 2.13 -0.04 5.30 1.51 0.25 -4.88 117.35 121.37 1pyy s TYR 433 Ca 0.21 0.98 0.01 0.00 -1.01 0.00 0.00 57.07 57.25 1pyy s TYR 433 Cb -0.15 -3.27 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1pyy s TYR 433 CO 0.09 -2.87 0.04 0.00 -1.11 0.00 0.00 175.55 171.69 1pyy n ALA 434 N -4.16 2.11 -0.55 3.71 0.00 -1.26 -4.20 120.51 116.16 1pyy n ALA 434 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pyy n ALA 434 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1pyy n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyy n GLY 435 N 1.02 -1.15 3.43 0.00 0.00 -1.26 -2.72 105.19 104.50 1pyy n GLY 435 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1pyy n GLY 435 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pyy s GLN 436 N 0.00 0.55 0.51 1.61 0.74 0.30 -4.68 119.66 118.69 1pyy s GLN 436 Ca 0.00 0.91 -0.20 0.00 0.05 0.00 0.00 55.36 56.11 1pyy s GLN 436 Cb 0.00 0.12 -0.07 0.00 1.10 0.00 0.00 33.01 34.16 1pyy s GLN 436 CO 0.00 -0.13 1.12 -0.51 -0.55 0.00 0.00 175.29 175.22 1pyy s LEU 437 N 1.16 3.83 0.67 3.68 1.02 -1.26 -0.90 118.68 126.87 1pyy s LEU 437 Ca -0.07 2.16 -0.17 0.00 0.02 0.00 0.00 54.13 56.07 1pyy s LEU 437 Cb -0.06 -4.50 -0.01 0.00 0.02 0.00 0.00 46.19 41.63 1pyy s LEU 437 CO -0.11 -1.07 1.08 -0.81 0.02 0.00 0.00 176.35 175.46 1pyy n PRO 438 N -1.06 0.80 -0.67 1.29 -0.04 -1.24 -4.85 135.00 129.23 1pyy n PRO 438 Ca 0.10 0.33 -0.31 0.00 -0.04 0.00 0.00 63.50 63.58 1pyy n PRO 438 Cb 0.51 -2.32 0.17 0.00 -0.04 0.00 0.00 33.50 31.82 1pyy n PRO 438 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyy n ALA 439 N -2.13 -1.27 -2.30 0.55 0.00 -1.26 -4.86 120.51 109.24 1pyy n ALA 439 Ca 0.14 -0.63 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 1pyy n ALA 439 Cb 0.48 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1pyy n ALA 439 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1pyy n ASP 440 N -3.93 4.64 -3.63 0.00 2.03 -1.26 -4.35 116.55 110.04 1pyy n ASP 440 Ca 0.10 -2.94 -0.15 0.00 0.52 0.00 0.00 54.79 52.32 1pyy n ASP 440 Cb 0.52 -1.64 -0.07 0.00 -0.72 0.00 0.00 41.12 39.21 1pyy n ASP 440 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1pyy s ASN 441 N 3.05 -0.52 0.54 1.67 2.20 -1.26 -5.06 114.94 115.56 1pyy s ASN 441 Ca 0.47 0.70 0.29 0.00 -0.94 0.00 0.00 52.86 53.38 1pyy s ASN 441 Cb 0.07 0.69 1.58 0.00 -2.00 0.00 0.00 41.25 41.59 1pyy s ASN 441 CO -0.00 -0.43 1.87 0.16 -2.94 0.00 0.00 177.10 175.75 1pyy h ILE 442 N 3.63 0.00 0.00 0.54 3.07 -1.99 -2.80 117.51 119.96 1pyy h ILE 442 Ca -0.28 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.08 1pyy h ILE 442 Cb 1.16 0.64 -0.01 0.00 -0.27 0.00 0.00 36.82 38.35 1pyy h ILE 442 CO 0.31 0.00 -0.28 0.58 -1.05 0.00 0.00 178.15 177.71 1pyy h VAL 443 N 0.00 1.13 -0.43 0.16 2.07 -1.94 -3.15 116.25 114.09 1pyy h VAL 443 Ca 0.00 -1.94 -0.06 0.00 0.82 0.00 0.00 66.70 65.52 1pyy h VAL 443 Cb 0.36 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1pyy h VAL 443 CO 0.00 0.38 0.03 0.78 0.02 0.00 0.00 177.57 178.78 1pyy h ASN 444 N -1.00 0.63 -0.28 0.57 -0.26 -1.82 0.51 115.58 113.93 1pyy h ASN 444 Ca -0.07 -0.13 -0.09 0.00 -0.56 0.00 0.00 56.30 55.46 1pyy h ASN 444 Cb 0.82 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 1pyy h ASN 444 CO -0.04 0.69 -0.11 0.40 -1.06 0.00 0.00 177.43 177.31 1pyy h ILE 445 N 0.64 1.25 -0.16 2.81 2.04 -1.67 -2.10 117.51 120.32 1pyy h ILE 445 Ca 0.13 -1.12 -0.19 0.00 1.00 0.00 0.00 64.86 64.69 1pyy h ILE 445 Cb 0.36 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1pyy h ILE 445 CO 0.01 0.38 -0.63 0.00 0.00 0.00 0.00 178.15 177.91 1pyy h ALA 446 N 1.25 0.29 0.00 1.87 0.00 -1.38 -3.15 119.26 118.15 1pyy h ALA 446 Ca 0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1pyy h ALA 446 Cb 0.56 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pyy h ALA 446 CO 0.03 0.56 -0.10 1.96 0.00 0.00 0.00 179.25 181.70 1pyy h GLN 447 N 0.40 0.00 0.00 0.00 4.20 -0.73 -2.02 115.11 116.97 1pyy h GLN 447 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1pyy h GLN 447 Cb 1.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 1pyy h GLN 447 CO 0.13 0.10 -0.06 0.66 -0.67 0.00 0.00 178.83 178.99 1pyy h SER 448 N 0.00 0.00 -0.03 1.46 4.64 -0.64 -1.50 113.55 117.48 1pyy h SER 448 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1pyy h SER 448 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1pyy h SER 448 CO 0.01 0.06 0.06 0.77 -0.87 0.00 0.00 176.83 176.86 1pyy h SER 449 N 0.00 0.00 0.00 4.97 4.64 -1.49 -2.47 113.55 119.20 1pyy h SER 449 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pyy h SER 449 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1pyy h SER 449 CO 0.01 0.00 -0.03 2.22 -0.87 0.00 0.00 176.83 178.16 1pyy n PHE 450 N -3.39 0.00 0.00 4.77 1.16 -0.61 -4.53 117.46 114.87 1pyy n PHE 450 Ca -0.02 -0.46 0.00 0.00 -1.87 0.00 0.00 57.45 55.09 1pyy n PHE 450 Cb 0.14 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 37.95 1pyy n PHE 450 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pyy n GLY 451 N -0.54 1.16 3.36 4.97 0.00 -0.93 -3.26 105.19 109.94 1pyy n GLY 451 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1pyy n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pyy s GLN 452 N -0.31 1.36 -0.08 1.61 -1.52 -0.95 -0.91 119.66 118.85 1pyy s GLN 452 Ca 0.00 -1.51 0.00 0.00 -1.95 0.00 0.00 55.36 51.90 1pyy s GLN 452 Cb 0.00 -1.37 0.00 0.00 -0.22 0.00 0.00 33.01 31.42 1pyy s GLN 452 CO 0.00 0.26 0.00 0.41 -0.25 0.00 0.00 175.29 175.71 1pyy n GLY 453 N -0.01 0.44 3.11 3.09 0.00 -1.26 -1.77 105.19 108.79 1pyy n GLY 453 Ca -0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1pyy n GLY 453 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pyy s ILE 454 N -1.82 0.01 0.13 -0.61 2.07 -1.26 -3.62 121.20 116.10 1pyy s ILE 454 Ca 0.00 -0.11 0.10 0.00 -1.41 0.00 0.00 60.65 59.23 1pyy s ILE 454 Cb 0.00 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1pyy s ILE 454 CO 0.00 -0.06 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.82 1pyy s SER 455 N -0.13 3.65 0.13 4.50 1.04 -0.08 -3.92 113.70 118.89 1pyy s SER 455 Ca -0.02 -0.65 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 1pyy s SER 455 Cb -0.02 -0.41 -0.02 0.00 0.10 0.00 0.00 66.02 65.67 1pyy s SER 455 CO 0.01 0.17 0.15 0.68 0.98 0.00 0.00 173.24 175.23 1pyy s VAL 456 N -1.16 0.10 0.27 5.02 -7.23 0.54 -0.54 120.40 117.41 1pyy s VAL 456 Ca 0.17 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1pyy s VAL 456 Cb -0.10 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1pyy s VAL 456 CO 0.09 -0.47 0.42 0.42 -0.31 0.00 0.00 175.10 175.25 1pyy s THR 457 N -3.98 5.21 0.37 5.32 -4.23 -1.26 -1.14 115.64 115.93 1pyy s THR 457 Ca 0.18 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.96 1pyy s THR 457 Cb 0.06 -3.86 0.17 0.00 1.34 0.00 0.00 72.50 70.21 1pyy s THR 457 CO -0.01 -0.40 1.92 1.56 -0.54 0.00 0.00 174.62 177.14 1pyy h GLN 458 N 1.06 0.37 0.00 3.99 4.20 -1.76 -2.46 115.11 120.51 1pyy h GLN 458 Ca -0.51 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.03 1pyy h GLN 458 Cb 1.23 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 1pyy h GLN 458 CO 0.61 0.43 -0.46 1.79 -0.67 0.00 0.00 178.83 180.54 1pyy h THR 459 N 0.35 1.16 -0.16 -0.54 1.35 -1.81 -0.85 112.91 112.42 1pyy h THR 459 Ca 0.08 -1.67 -0.15 0.00 -0.55 0.00 0.00 66.41 64.11 1pyy h THR 459 Cb 0.31 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1pyy h THR 459 CO 0.01 0.45 -0.54 1.56 -0.25 0.00 0.00 175.52 176.75 1pyy h GLN 460 N 0.00 0.47 -0.26 4.72 4.20 -1.78 -0.07 115.11 122.39 1pyy h GLN 460 Ca -0.00 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 1pyy h GLN 460 Cb 0.91 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1pyy h GLN 460 CO 0.06 0.89 -0.00 0.52 -0.67 0.00 0.00 178.83 179.62 1pyy h MET 461 N 0.36 0.46 -0.59 1.46 2.86 -1.07 -1.02 114.93 117.41 1pyy h MET 461 Ca 0.01 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1pyy h MET 461 Cb 1.06 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 1pyy h MET 461 CO 0.10 0.63 0.24 0.82 1.06 0.00 0.00 176.91 179.76 1pyy h ILE 462 N 0.24 1.22 -0.26 -1.22 2.04 -1.08 0.13 117.51 118.59 1pyy h ILE 462 Ca 0.07 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1pyy h ILE 462 Cb 0.43 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1pyy h ILE 462 CO 0.01 0.27 0.16 -0.09 0.00 0.00 0.00 178.15 178.50 1pyy h ARG 463 N 0.81 0.32 -0.69 2.37 2.43 -0.84 -2.04 114.38 116.74 1pyy h ARG 463 Ca 0.20 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1pyy h ARG 463 Cb 0.19 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1pyy h ARG 463 CO -0.02 0.21 0.24 0.00 -1.51 0.00 0.00 179.97 178.89 1pyy h ALA 464 N 1.11 1.12 0.00 2.80 0.00 -0.92 -2.58 119.26 120.79 1pyy h ALA 464 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1pyy h ALA 464 Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1pyy h ALA 464 CO -0.04 0.61 -0.16 0.74 0.00 0.00 0.00 179.25 180.41 1pyy h PHE 465 N 1.00 0.00 -0.39 0.00 0.04 -0.21 -2.76 116.94 114.62 1pyy h PHE 465 Ca 0.23 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 1pyy h PHE 465 Cb 0.25 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1pyy h PHE 465 CO 0.02 0.16 -0.14 1.79 -0.60 0.00 0.00 178.31 179.53 1pyy h THR 466 N 0.00 1.26 -0.44 -1.55 1.35 -0.96 -1.02 112.91 111.55 1pyy h THR 466 Ca -0.00 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1pyy h THR 466 Cb 0.32 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 1pyy h THR 466 CO 0.02 0.40 0.28 0.00 -0.25 0.00 0.00 175.52 175.98 1pyy h ALA 467 N 1.19 0.55 -0.58 6.62 0.00 -1.55 0.57 119.26 126.07 1pyy h ALA 467 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1pyy h ALA 467 Cb 0.61 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1pyy h ALA 467 CO 0.04 0.01 0.15 0.82 0.00 0.00 0.00 179.25 180.28 1pyy h ILE 468 N 0.59 1.23 -0.17 0.00 1.08 -1.51 0.51 117.51 119.25 1pyy h ILE 468 Ca 0.16 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1pyy h ILE 468 Cb -0.06 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1pyy h ILE 468 CO -0.03 0.31 0.00 0.00 -0.69 0.00 0.00 178.15 177.74 1pyy n ALA 469 N -2.46 2.50 -2.89 1.87 0.00 -0.41 -4.46 120.51 114.66 1pyy n ALA 469 Ca 0.04 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 1pyy n ALA 469 Cb 0.22 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1pyy n ALA 469 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pyy n ASN 470 N 0.69 1.26 -3.70 0.00 5.15 0.19 -4.31 115.26 114.54 1pyy n ASN 470 Ca 0.17 -2.86 -0.28 0.00 -0.60 0.00 0.00 54.58 51.01 1pyy n ASN 470 Cb 0.43 -0.57 -0.01 0.00 -0.53 0.00 0.00 39.78 39.11 1pyy n ASN 470 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1pyy n ASP 471 N 0.08 -3.73 0.00 1.20 8.00 -1.22 -1.22 116.55 119.67 1pyy n ASP 471 Ca 0.17 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 55.04 1pyy n ASP 471 Cb 0.74 -3.06 0.00 0.00 -0.02 0.00 0.00 41.12 38.79 1pyy n ASP 471 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pyy n GLY 472 N -1.30 1.20 3.53 0.44 0.00 0.18 -3.47 105.19 105.77 1pyy n GLY 472 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pyy n GLY 472 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pyy s VAL 473 N -3.45 5.06 -0.00 1.61 1.01 -0.35 -3.28 120.40 120.98 1pyy s VAL 473 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1pyy s VAL 473 Cb 0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1pyy s VAL 473 CO 0.00 -0.28 1.00 -0.32 0.00 0.00 0.00 175.10 175.50 1pyy s MET 474 N 2.27 4.55 0.14 2.72 1.75 0.22 -3.62 119.30 127.33 1pyy s MET 474 Ca 0.15 1.44 0.07 0.00 -1.25 0.00 0.00 55.69 56.11 1pyy s MET 474 Cb -0.16 -3.46 -0.04 0.00 2.84 0.00 0.00 34.83 34.01 1pyy s MET 474 CO 0.14 -0.07 -0.06 -0.51 -0.65 0.00 0.00 175.02 173.86 1pyy s LEU 475 N 1.05 3.14 0.02 4.11 1.43 -1.26 -0.61 118.68 126.56 1pyy s LEU 475 Ca 0.52 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 1pyy s LEU 475 Cb -0.21 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1pyy s LEU 475 CO 0.28 0.13 0.89 -0.70 0.23 0.00 0.00 176.35 177.18 1pyy s GLU 476 N -2.59 4.55 0.31 1.70 2.56 -0.61 -4.69 118.70 119.94 1pyy s GLU 476 Ca 0.24 1.26 -0.29 0.00 0.00 0.00 0.00 54.97 56.19 1pyy s GLU 476 Cb -0.10 -3.43 -0.11 0.00 2.00 0.00 0.00 34.13 32.50 1pyy s GLU 476 CO 0.16 0.08 1.46 -2.14 -0.56 0.00 0.00 175.26 174.26 1pyy s PRO 477 N 0.60 4.21 0.09 4.30 0.02 -1.26 -4.61 135.00 138.34 1pyy s PRO 477 Ca 0.46 2.42 0.07 0.00 0.02 0.00 0.00 61.00 63.98 1pyy s PRO 477 Cb -0.21 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1pyy s PRO 477 CO 0.26 -0.45 -0.19 0.15 -0.33 0.00 0.00 177.00 176.43 1pyy s LYS 478 N -1.20 1.10 0.00 5.54 1.02 0.18 -4.77 119.74 121.62 1pyy s LYS 478 Ca 0.56 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1pyy s LYS 478 Cb -0.44 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1pyy s LYS 478 CO 0.52 0.30 0.00 1.97 -0.92 0.00 0.00 175.35 177.23 1pyy n PHE 479 N 1.27 0.00 -3.73 3.18 1.16 -1.26 -0.88 117.46 117.20 1pyy n PHE 479 Ca -0.19 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.01 1pyy n PHE 479 Cb 0.54 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.28 1pyy n PHE 479 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1pyy s ILE 480 N -0.42 4.19 -0.08 1.97 1.01 -1.26 -0.51 121.20 126.09 1pyy s ILE 480 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 1pyy s ILE 480 Cb 0.00 -3.12 -0.29 0.00 0.01 0.00 0.00 42.46 39.06 1pyy s ILE 480 CO 0.00 0.12 0.57 -1.28 0.00 0.00 0.00 174.94 174.35 1pyy h SER 481 N 8.27 0.50 -4.10 3.58 0.87 -0.55 -3.44 113.55 118.68 1pyy h SER 481 Ca -0.33 -0.91 0.11 0.00 -1.23 0.00 0.00 61.79 59.43 1pyy h SER 481 Cb 1.14 -0.16 -0.22 0.00 -0.44 0.00 0.00 62.40 62.71 1pyy h SER 481 CO 0.60 1.75 0.59 0.00 -0.53 0.00 0.00 176.83 179.24 1pyy s ALA 482 N -2.54 -1.94 -0.18 6.23 0.00 -0.85 -1.43 121.76 121.04 1pyy s ALA 482 Ca -0.19 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 1pyy s ALA 482 Cb 0.05 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1pyy s ALA 482 CO 0.81 -0.36 -0.15 0.42 0.00 0.00 0.00 175.76 176.48 1pyy s ILE 483 N -1.39 2.51 -0.18 0.00 1.01 -0.46 -0.75 121.20 121.94 1pyy s ILE 483 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 1pyy s ILE 483 Cb -0.01 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1pyy s ILE 483 CO -0.01 0.51 0.04 -0.47 0.00 0.00 0.00 174.94 175.01 1pyy s TYR 484 N 1.19 3.20 -0.44 3.97 5.04 0.07 -0.86 117.35 129.52 1pyy s TYR 484 Ca 0.02 -0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.53 1pyy s TYR 484 Cb -0.14 -2.06 0.08 0.00 0.35 0.00 0.00 41.96 40.19 1pyy s TYR 484 CO -0.07 0.11 0.31 0.34 -1.34 0.00 0.00 175.55 174.89 1pyy s ASP 485 N 0.40 5.80 0.39 4.32 -1.08 -0.33 -0.65 116.67 125.53 1pyy s ASP 485 Ca 0.02 -1.46 0.18 0.00 -0.52 0.00 0.00 52.55 50.76 1pyy s ASP 485 Cb -0.13 -2.05 0.81 0.00 -1.46 0.00 0.00 42.92 40.09 1pyy s ASP 485 CO 0.01 -0.58 1.82 1.55 0.52 0.00 0.00 175.17 178.49 1pyy h PRO 486 N 8.52 0.00 0.00 4.34 0.13 -1.84 -2.28 132.00 140.86 1pyy h PRO 486 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1pyy h PRO 486 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pyy h PRO 486 CO 0.80 0.34 0.00 0.09 -0.23 0.00 0.00 178.00 179.01 1pyy n ASN 487 N -3.76 0.00 -0.66 1.44 3.02 -1.26 -3.53 115.26 110.52 1pyy n ASN 487 Ca -0.01 0.19 -0.03 0.00 -0.03 0.00 0.00 54.58 54.70 1pyy n ASN 487 Cb 0.43 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 1pyy n ASN 487 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1pyy n ASP 488 N -1.28 -0.40 -2.77 6.41 5.75 -1.15 -5.03 116.55 118.09 1pyy n ASP 488 Ca 0.03 -1.24 -0.14 0.00 -0.01 0.00 0.00 54.79 53.43 1pyy n ASP 488 Cb 0.05 0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.25 1pyy n ASP 488 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pyy n GLN 489 N 0.00 -2.71 -3.82 0.11 3.00 -0.88 -4.97 117.38 108.11 1pyy n GLN 489 Ca -0.11 0.46 -0.25 0.00 -0.01 0.00 0.00 57.00 57.09 1pyy n GLN 489 Cb 0.52 -5.08 -0.01 0.00 0.00 0.00 0.00 30.24 25.67 1pyy n GLN 489 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1pyy s THR 490 N -2.63 1.88 -0.12 5.09 -4.23 -1.07 -4.67 115.64 109.88 1pyy s THR 490 Ca 0.14 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 1pyy s THR 490 Cb -0.07 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.55 1pyy s THR 490 CO 0.17 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.24 1pyy s ALA 491 N -2.71 -1.92 -0.23 3.99 0.00 -0.23 -1.18 121.76 119.49 1pyy s ALA 491 Ca 0.38 1.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.78 1pyy s ALA 491 Cb -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1pyy s ALA 491 CO 0.23 -0.43 -0.11 1.03 0.00 0.00 0.00 175.76 176.47 1pyy s ARG 492 N -1.76 2.83 -0.10 0.00 0.52 -0.04 -2.42 118.95 117.97 1pyy s ARG 492 Ca 0.01 -0.97 -0.05 0.00 -0.52 0.00 0.00 55.73 54.20 1pyy s ARG 492 Cb -0.01 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 1pyy s ARG 492 CO -0.02 -0.35 0.11 0.15 0.02 0.00 0.00 175.30 175.20 1pyy s LYS 493 N 1.29 3.31 0.33 3.54 1.02 -1.26 -1.36 119.74 126.61 1pyy s LYS 493 Ca 0.01 -0.22 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 1pyy s LYS 493 Cb -0.16 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 1pyy s LYS 493 CO -0.07 0.75 0.82 0.45 -0.92 0.00 0.00 175.35 176.38 1pyy s SER 494 N -1.06 6.95 0.02 2.83 0.15 -0.52 -4.62 113.70 117.45 1pyy s SER 494 Ca 0.15 1.49 0.02 0.00 0.70 0.00 0.00 55.95 58.31 1pyy s SER 494 Cb -0.12 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 1pyy s SER 494 CO 0.05 -0.18 -0.07 -1.10 1.20 0.00 0.00 173.24 173.13 1pyy s GLN 495 N -2.71 0.54 0.40 5.44 -1.52 -1.26 -4.97 119.66 115.58 1pyy s GLN 495 Ca 0.53 -0.49 -0.23 0.00 -1.95 0.00 0.00 55.36 53.22 1pyy s GLN 495 Cb -0.12 -0.44 -0.13 0.00 -0.22 0.00 0.00 33.01 32.10 1pyy s GLN 495 CO 0.18 0.11 0.65 0.36 -0.25 0.00 0.00 175.29 176.33 1pyy n LYS 496 N 2.22 0.71 -3.99 2.91 2.85 -1.26 -4.96 118.16 116.64 1pyy n LYS 496 Ca -0.17 0.26 -0.33 0.00 -1.05 0.00 0.00 58.31 57.01 1pyy n LYS 496 Cb 0.56 -1.59 -0.14 0.00 -0.65 0.00 0.00 35.03 33.21 1pyy n LYS 496 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1pyy s GLU 497 N -1.62 2.27 0.02 -1.58 2.12 -1.26 -5.07 118.70 113.58 1pyy s GLU 497 Ca 0.63 -1.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1pyy s GLU 497 Cb -0.62 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1pyy s GLU 497 CO 0.58 -0.63 1.14 0.42 -0.54 0.00 0.00 175.26 176.22 1pyy s ILE 498 N 1.15 4.31 -0.08 -3.70 1.01 -1.26 -1.57 121.20 121.07 1pyy s ILE 498 Ca -0.06 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1pyy s ILE 498 Cb -0.20 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1pyy s ILE 498 CO -0.03 0.10 1.01 1.33 0.00 0.00 0.00 174.94 177.34 1pyy n VAL 499 N 4.05 0.97 0.00 2.92 0.24 0.22 -4.92 118.33 121.80 1pyy n VAL 499 Ca 0.08 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1pyy n VAL 499 Cb 0.48 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 1pyy n VAL 499 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pyy n GLY 500 N -0.40 1.01 2.26 7.63 0.00 -1.22 -4.96 105.19 109.51 1pyy n GLY 500 Ca 0.01 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 1pyy n GLY 500 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pyy n ASN 501 N 0.00 -0.13 -0.18 1.61 4.05 -1.26 -0.61 115.26 118.75 1pyy n ASN 501 Ca 0.00 -2.83 -0.03 0.00 0.45 0.00 0.00 54.58 52.17 1pyy n ASN 501 Cb 0.00 -0.30 0.07 0.00 1.23 0.00 0.00 39.78 40.78 1pyy n ASN 501 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1pyy h PRO 502 N 3.82 0.44 -5.14 1.20 0.13 -1.77 -3.45 132.00 127.23 1pyy h PRO 502 Ca 0.05 -0.03 -0.39 0.00 -0.87 0.00 0.00 66.00 64.76 1pyy h PRO 502 Cb 0.92 -0.10 -0.14 0.00 0.13 0.00 0.00 31.00 31.80 1pyy h PRO 502 CO 0.44 0.29 -0.66 0.14 -0.23 0.00 0.00 178.00 177.98 1pyy s VAL 503 N -6.12 1.11 0.89 1.56 -7.23 -1.26 -4.98 120.40 104.37 1pyy s VAL 503 Ca -0.13 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 57.88 1pyy s VAL 503 Cb 0.15 -2.34 0.12 0.00 0.56 0.00 0.00 36.38 34.87 1pyy s VAL 503 CO 0.74 -0.33 1.11 -0.94 -0.31 0.00 0.00 175.10 175.37 1pyy s SER 504 N -3.32 3.69 0.20 4.85 1.04 -1.26 -4.18 113.70 114.72 1pyy s SER 504 Ca 0.28 1.17 -0.10 0.00 0.48 0.00 0.00 55.95 57.79 1pyy s SER 504 Cb 0.05 -1.83 0.13 0.00 0.10 0.00 0.00 66.02 64.48 1pyy s SER 504 CO 0.09 -2.46 1.78 0.50 0.98 0.00 0.00 173.24 174.13 1pyy h LYS 505 N -1.43 1.04 -0.41 4.02 3.64 -1.93 -1.69 116.57 119.81 1pyy h LYS 505 Ca -0.50 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 58.61 1pyy h LYS 505 Cb 1.31 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1pyy h LYS 505 CO 0.60 0.83 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.98 1pyy h ASP 506 N 1.01 0.87 -0.59 4.20 3.32 -1.92 0.45 116.42 123.76 1pyy h ASP 506 Ca 0.24 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1pyy h ASP 506 Cb 0.14 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1pyy h ASP 506 CO -0.03 1.07 0.33 0.00 -1.72 0.00 0.00 179.24 178.90 1pyy h ALA 507 N 0.83 0.77 -0.16 3.45 0.00 -1.85 0.59 119.26 122.88 1pyy h ALA 507 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1pyy h ALA 507 Cb 0.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1pyy h ALA 507 CO 0.06 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1pyy h ALA 508 N 1.29 0.21 -0.21 0.00 0.00 -1.17 -1.27 119.26 118.10 1pyy h ALA 508 Ca 0.25 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1pyy h ALA 508 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1pyy h ALA 508 CO -0.14 -0.08 -0.06 1.03 0.00 0.00 0.00 179.25 180.00 1pyy h SER 509 N 0.02 -0.21 -0.06 0.00 0.87 -0.43 -0.62 113.55 113.12 1pyy h SER 509 Ca 0.04 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1pyy h SER 509 Cb 0.37 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1pyy h SER 509 CO 0.01 -0.08 -0.22 0.25 -0.53 0.00 0.00 176.83 176.26 1pyy h LEU 510 N -0.01 0.46 -0.14 2.23 5.85 -0.87 -1.91 115.31 120.91 1pyy h LEU 510 Ca 0.10 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1pyy h LEU 510 Cb 0.16 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1pyy h LEU 510 CO -0.22 0.69 0.08 0.74 -0.34 0.00 0.00 178.44 179.39 1pyy h THR 511 N 0.42 1.08 -0.68 1.05 2.02 -0.67 -1.63 112.91 114.49 1pyy h THR 511 Ca 0.07 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1pyy h THR 511 Cb 0.62 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1pyy h THR 511 CO 0.04 0.08 0.45 0.03 0.37 0.00 0.00 175.52 176.49 1pyy h ARG 512 N 0.14 0.80 -0.14 6.66 3.08 -0.87 -0.66 114.38 123.39 1pyy h ARG 512 Ca 0.05 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1pyy h ARG 512 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1pyy h ARG 512 CO -0.01 0.53 0.03 1.15 -1.07 0.00 0.00 179.97 180.59 1pyy h THR 513 N 0.82 1.21 -0.19 2.04 2.02 -0.79 -1.97 112.91 116.05 1pyy h THR 513 Ca 0.27 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1pyy h THR 513 Cb 0.06 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1pyy h THR 513 CO -0.07 0.20 0.01 0.78 0.37 0.00 0.00 175.52 176.80 1pyy h ASN 514 N 0.02 0.24 0.19 4.18 2.35 -0.96 -1.87 115.58 119.74 1pyy h ASN 514 Ca 0.04 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1pyy h ASN 514 Cb 0.29 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1pyy h ASN 514 CO 0.00 0.29 -0.24 0.24 -1.65 0.00 0.00 177.43 176.07 1pyy h MET 515 N 0.27 0.10 -0.53 0.81 2.86 -0.57 -1.95 114.93 115.92 1pyy h MET 515 Ca 0.06 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1pyy h MET 515 Cb 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1pyy h MET 515 CO 0.00 0.34 0.03 0.28 1.06 0.00 0.00 176.91 178.63 1pyy h VAL 516 N 0.09 1.25 0.00 -2.22 2.07 -0.61 -1.08 116.25 115.75 1pyy h VAL 516 Ca 0.01 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1pyy h VAL 516 Cb 0.48 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1pyy h VAL 516 CO 0.03 0.36 -0.12 -0.07 0.02 0.00 0.00 177.57 177.80 1pyy h LEU 517 N 0.81 0.00 -2.07 2.57 3.38 -1.30 -1.33 115.31 117.37 1pyy h LEU 517 Ca 0.16 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1pyy h LEU 517 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pyy h LEU 517 CO 0.02 0.12 0.25 0.58 0.09 0.00 0.00 178.44 179.49 1pyy h VAL 518 N 0.00 0.69 0.00 1.22 2.07 -1.26 -1.01 116.25 117.95 1pyy h VAL 518 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pyy h VAL 518 Cb 0.45 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1pyy h VAL 518 CO 0.02 0.00 -1.05 0.61 0.02 0.00 0.00 177.57 177.17 1pyy n GLY 519 N -1.54 -0.24 0.05 2.17 0.00 -0.58 -1.09 105.19 103.97 1pyy n GLY 519 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1pyy n GLY 519 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pyy n THR 520 N -1.59 0.72 -1.85 2.61 -2.24 -0.74 -3.52 114.28 107.67 1pyy n THR 520 Ca -0.00 -0.55 -0.40 0.00 -2.27 0.00 0.00 64.05 60.83 1pyy n THR 520 Cb 0.22 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 1pyy n THR 520 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pyy s ASP 521 N -4.52 5.35 0.48 3.42 -1.08 -0.42 -4.85 116.67 115.06 1pyy s ASP 521 Ca -0.07 1.12 0.33 0.00 -0.52 0.00 0.00 52.55 53.41 1pyy s ASP 521 Cb 0.06 -2.52 1.68 0.00 -1.46 0.00 0.00 42.92 40.68 1pyy s ASP 521 CO 0.62 -2.17 2.00 1.55 0.52 0.00 0.00 175.17 177.68 1pyy h PRO 522 N 15.20 0.00 0.00 4.34 0.13 -1.90 -0.74 132.00 149.04 1pyy h PRO 522 Ca -0.31 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.39 1pyy h PRO 522 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1pyy h PRO 522 CO 1.09 0.00 -2.49 0.28 -0.23 0.00 0.00 178.00 176.65 1pyy n VAL 523 N -2.71 1.52 0.09 1.56 0.31 -1.26 -4.78 118.33 113.06 1pyy n VAL 523 Ca -0.01 -0.46 0.08 0.00 -0.01 0.00 0.00 64.34 63.93 1pyy n VAL 523 Cb 0.12 -1.68 -0.12 0.00 -0.91 0.00 0.00 33.84 31.24 1pyy n VAL 523 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1pyy n TYR 524 N -3.82 0.00 -1.90 3.52 4.01 -1.23 -5.00 117.16 112.74 1pyy n TYR 524 Ca -0.50 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 56.81 1pyy n TYR 524 Cb 0.93 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 39.62 1pyy n TYR 524 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1pyy s GLY 525 N -3.63 1.38 0.14 2.72 0.00 -0.28 -2.66 107.32 104.98 1pyy s GLY 525 Ca -0.04 0.95 0.19 0.00 0.00 0.00 0.00 44.72 45.81 1pyy s GLY 525 CO 0.65 3.21 1.58 -1.30 0.00 0.00 0.00 173.10 177.24 1pyy n THR 526 N 5.84 0.94 -0.95 0.90 -2.24 -0.80 -2.35 114.28 115.62 1pyy n THR 526 Ca 0.19 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.32 1pyy n THR 526 Cb 0.43 -1.11 0.16 0.00 -2.10 0.00 0.00 70.33 67.71 1pyy n THR 526 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1pyy n MET 527 N -1.89 1.89 -3.09 -0.78 2.81 -0.25 -4.97 117.12 110.85 1pyy n MET 527 Ca 0.03 -2.56 -0.41 0.00 -1.81 0.00 0.00 57.70 52.95 1pyy n MET 527 Cb 0.19 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.09 1pyy n MET 527 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1pyy s TYR 528 N -2.67 3.30 -0.57 2.03 5.04 -0.99 -0.73 117.35 122.76 1pyy s TYR 528 Ca 0.32 0.87 -0.23 0.00 -2.44 0.00 0.00 57.07 55.60 1pyy s TYR 528 Cb 0.27 -2.86 0.05 0.00 0.35 0.00 0.00 41.96 39.78 1pyy s TYR 528 CO 0.05 -0.31 0.88 1.21 -1.34 0.00 0.00 175.55 176.04 1pyy s ASN 529 N 1.41 6.28 0.60 4.32 3.84 -0.50 -4.92 114.94 125.97 1pyy s ASN 529 Ca 0.28 -0.62 0.30 0.00 0.21 0.00 0.00 52.86 53.03 1pyy s ASN 529 Cb -0.16 -2.40 1.84 0.00 -0.55 0.00 0.00 41.25 39.98 1pyy s ASN 529 CO 0.09 -1.21 2.24 0.45 -2.79 0.00 0.00 177.10 175.88 1pyy h HIS 530 N 9.30 0.00 0.04 0.43 3.86 -1.95 0.64 115.15 127.47 1pyy h HIS 530 Ca -0.27 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.67 1pyy h HIS 530 Cb 1.08 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.57 1pyy h HIS 530 CO 0.89 0.00 -1.10 0.77 0.86 0.00 0.00 177.93 179.35 1pyy h SER 531 N 0.00 0.82 0.12 2.45 0.02 -1.95 -3.33 113.55 111.68 1pyy h SER 531 Ca 0.01 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.26 1pyy h SER 531 Cb 0.07 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1pyy h SER 531 CO -0.00 1.50 -1.89 0.35 -1.14 0.00 0.00 176.83 175.64 1pyy n THR 532 N -3.80 0.11 -1.04 -2.27 -2.24 -1.06 -4.98 114.28 99.01 1pyy n THR 532 Ca -0.11 -0.52 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 1pyy n THR 532 Cb 0.91 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 1pyy n THR 532 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyy n GLY 533 N 1.26 0.47 3.53 3.38 0.00 0.22 -5.01 105.19 109.04 1pyy n GLY 533 Ca -0.04 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1pyy n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyy s LYS 534 N -0.96 1.78 0.80 1.61 -0.14 -1.22 -4.90 119.74 116.71 1pyy s LYS 534 Ca 0.00 -1.94 -0.11 0.00 -1.36 0.00 0.00 55.97 52.56 1pyy s LYS 534 Cb 0.00 -1.52 0.08 0.00 -1.68 0.00 0.00 37.83 34.71 1pyy s LYS 534 CO 0.00 0.06 1.11 -2.14 -0.76 0.00 0.00 175.35 173.62 1pyy s PRO 535 N -3.67 1.96 0.42 -1.68 0.02 -1.23 -1.40 135.00 129.41 1pyy s PRO 535 Ca 0.33 1.32 0.23 0.00 0.02 0.00 0.00 61.00 62.89 1pyy s PRO 535 Cb 0.05 -1.85 0.69 0.00 0.02 0.00 0.00 34.50 33.41 1pyy s PRO 535 CO 0.16 -1.89 1.73 1.79 -0.33 0.00 0.00 177.00 178.45 1pyy h THR 536 N -1.20 0.48 -3.23 0.99 1.35 -1.21 -3.42 112.91 106.68 1pyy h THR 536 Ca -0.44 -1.28 -0.67 0.00 -0.55 0.00 0.00 66.41 63.46 1pyy h THR 536 Cb 1.25 1.92 -0.33 0.00 -1.73 0.00 0.00 68.15 69.25 1pyy h THR 536 CO 0.49 0.23 -0.86 -0.69 -0.25 0.00 0.00 175.52 174.43 1pyy s VAL 537 N -3.44 2.14 0.18 6.82 1.01 -1.26 -4.26 120.40 121.59 1pyy s VAL 537 Ca 0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1pyy s VAL 537 Cb 0.09 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1pyy s VAL 537 CO 0.66 0.55 0.17 0.42 0.00 0.00 0.00 175.10 176.89 1pyy s THR 538 N 0.74 0.04 -0.03 3.92 -4.23 -1.26 -4.87 115.64 109.95 1pyy s THR 538 Ca -0.09 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1pyy s THR 538 Cb -0.16 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1pyy s THR 538 CO -0.00 -0.20 0.07 -0.69 -0.54 0.00 0.00 174.62 173.27 1pyy s VAL 539 N -4.08 -0.01 -0.27 2.29 1.01 -1.26 -4.70 120.40 113.37 1pyy s VAL 539 Ca 0.29 0.04 -0.35 0.00 0.00 0.00 0.00 61.98 61.96 1pyy s VAL 539 Cb 0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 36.38 36.21 1pyy s VAL 539 CO 0.07 0.02 2.07 -2.65 0.00 0.00 0.00 175.10 174.61 1pyy n PRO 540 N 3.29 1.40 -2.33 2.72 -0.02 -1.26 -2.59 135.00 136.21 1pyy n PRO 540 Ca -0.15 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1pyy n PRO 540 Cb 0.58 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1pyy n PRO 540 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pyy n GLY 541 N 5.74 -0.02 3.59 -1.23 0.00 -1.26 -5.03 105.19 106.98 1pyy n GLY 541 Ca 0.34 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1pyy n GLY 541 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pyy s GLN 542 N -4.69 1.54 -0.01 1.61 -0.21 -1.07 -5.15 119.66 111.67 1pyy s GLN 542 Ca 0.04 -1.22 -0.01 0.00 0.02 0.00 0.00 55.36 54.19 1pyy s GLN 542 Cb -0.02 0.48 -0.04 0.00 1.00 0.00 0.00 33.01 34.43 1pyy s GLN 542 CO 0.06 -0.64 0.09 -0.80 -2.12 0.00 0.00 175.29 171.88 1pyy s ASN 543 N -3.01 5.78 -0.18 5.90 0.01 -1.26 -4.57 114.94 117.61 1pyy s ASN 543 Ca 0.21 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.56 1pyy s ASN 543 Cb -0.01 -1.69 0.02 0.00 0.41 0.00 0.00 41.25 39.98 1pyy s ASN 543 CO 0.08 0.28 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.07 1pyy s VAL 544 N -1.19 2.03 0.05 1.60 1.01 -1.26 -0.42 120.40 122.21 1pyy s VAL 544 Ca 0.23 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 1pyy s VAL 544 Cb -0.12 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.36 1pyy s VAL 544 CO 0.14 0.53 1.50 0.00 0.00 0.00 0.00 175.10 177.27 1pyy s ALA 545 N 1.27 3.63 0.22 5.51 0.00 -0.40 -4.30 121.76 127.69 1pyy s ALA 545 Ca 0.04 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1pyy s ALA 545 Cb -0.13 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 1pyy s ALA 545 CO -0.12 -0.93 -0.02 -0.51 0.00 0.00 0.00 175.76 174.17 1pyy s LEU 546 N 2.24 2.25 -0.30 0.00 1.43 -0.46 -1.15 118.68 122.69 1pyy s LEU 546 Ca 0.68 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 1pyy s LEU 546 Cb -0.36 -0.29 0.17 0.00 0.03 0.00 0.00 46.19 45.74 1pyy s LEU 546 CO 0.29 -0.48 0.71 -0.75 0.23 0.00 0.00 176.35 176.35 1pyy s LYS 547 N -3.84 0.50 0.46 1.70 2.47 -1.01 -4.58 119.74 115.44 1pyy s LYS 547 Ca 0.27 1.03 -0.12 0.00 -1.56 0.00 0.00 55.97 55.59 1pyy s LYS 547 Cb 0.05 0.60 -0.07 0.00 -1.46 0.00 0.00 37.83 36.95 1pyy s LYS 547 CO 0.07 -0.40 0.86 -1.54 0.16 0.00 0.00 175.35 174.51 1pyy s SER 548 N 2.84 6.52 0.02 1.43 1.04 -1.26 -1.89 113.70 122.39 1pyy s SER 548 Ca 0.08 1.28 0.01 0.00 0.48 0.00 0.00 55.95 57.80 1pyy s SER 548 Cb -0.13 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 1pyy s SER 548 CO -0.19 -0.50 -0.04 -0.83 0.98 0.00 0.00 173.24 172.66 1pyy s GLY 549 N -3.25 0.27 -0.04 7.32 0.00 0.21 -3.65 107.32 108.19 1pyy s GLY 549 Ca 0.54 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.83 1pyy s GLY 549 CO 0.33 -0.43 0.08 -1.59 0.00 0.00 0.00 173.10 171.49 1pyy s THR 550 N -0.74 -0.10 -0.01 0.90 2.01 -1.26 -0.61 115.64 115.82 1pyy s THR 550 Ca -0.06 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1pyy s THR 550 Cb -0.06 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 1pyy s THR 550 CO -0.00 0.12 -0.13 0.00 -0.69 0.00 0.00 174.62 173.92 1pyy s ALA 551 N 1.61 1.06 0.35 7.40 0.00 -0.17 -2.67 121.76 129.35 1pyy s ALA 551 Ca -0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1pyy s ALA 551 Cb -0.12 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.63 1pyy s ALA 551 CO -0.04 0.26 0.90 -0.65 0.00 0.00 0.00 175.76 176.23 1pyy s GLN 552 N -0.33 4.36 -0.14 0.00 -0.21 -1.26 -1.24 119.66 120.84 1pyy s GLN 552 Ca 0.05 1.13 -0.04 0.00 0.02 0.00 0.00 55.36 56.53 1pyy s GLN 552 Cb -0.05 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 1pyy s GLN 552 CO -0.00 0.16 -0.01 0.42 -2.12 0.00 0.00 175.29 173.73 1pyy s ILE 553 N -1.86 4.12 0.56 1.08 1.01 -1.25 -4.83 121.20 120.03 1pyy s ILE 553 Ca 0.54 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.69 1pyy s ILE 553 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1pyy s ILE 553 CO 0.19 0.52 1.33 0.00 0.00 0.00 0.00 174.94 176.98 1pyy n ALA 554 N 3.13 1.44 -3.21 9.38 0.00 -1.26 -0.17 120.51 129.82 1pyy n ALA 554 Ca -0.18 0.11 -0.45 0.00 0.00 0.00 0.00 53.44 52.92 1pyy n ALA 554 Cb 0.53 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.59 1pyy n ALA 554 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pyy s ASP 555 N -0.99 6.23 0.21 0.00 -1.08 -0.10 -4.45 116.67 116.48 1pyy s ASP 555 Ca 0.73 -1.68 -0.10 0.00 -0.52 0.00 0.00 52.55 50.98 1pyy s ASP 555 Cb -0.41 -2.26 0.28 0.00 -1.46 0.00 0.00 42.92 39.07 1pyy s ASP 555 CO 0.48 -0.97 1.72 -0.33 0.52 0.00 0.00 175.17 176.59 1pyy h GLU 556 N 8.97 0.29 0.00 4.34 5.08 -1.87 -2.53 114.58 128.85 1pyy h GLU 556 Ca -0.27 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1pyy h GLU 556 Cb 1.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1pyy h GLU 556 CO 1.05 0.19 -0.24 0.87 -1.00 0.00 0.00 179.01 179.89 1pyy h LYS 557 N 0.30 0.00 -0.68 2.33 1.79 -1.99 -3.40 116.57 114.92 1pyy h LYS 557 Ca 0.30 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.46 1pyy h LYS 557 Cb 0.43 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.80 1pyy h LYS 557 CO -0.36 0.24 -0.79 0.27 -1.08 0.00 0.00 179.45 177.73 1pyy n ASN 558 N -3.20 -0.44 -0.56 0.86 6.94 -1.17 -5.15 115.26 112.55 1pyy n ASN 558 Ca 0.02 -2.86 0.06 0.00 -0.02 0.00 0.00 54.58 51.78 1pyy n ASN 558 Cb 0.58 0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 38.38 1pyy n ASN 558 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pyy n GLY 559 N -0.10 -0.67 7.00 4.83 0.00 -0.96 -4.92 105.19 110.37 1pyy n GLY 559 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1pyy n GLY 559 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyy n GLY 560 N -1.98 0.09 3.35 -0.02 0.00 -1.26 -4.29 105.19 101.09 1pyy n GLY 560 Ca -0.00 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 1pyy n GLY 560 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pyy s TYR 561 N 0.00 2.02 0.87 1.61 1.51 -1.26 -0.93 117.35 121.17 1pyy s TYR 561 Ca 0.00 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.55 1pyy s TYR 561 Cb 0.00 -1.05 0.12 0.00 -0.11 0.00 0.00 41.96 40.92 1pyy s TYR 561 CO 0.00 0.34 1.11 -0.51 -1.11 0.00 0.00 175.55 175.38 1pyy s LEU 562 N -2.34 2.78 0.26 -1.29 1.43 0.76 -4.68 118.68 115.59 1pyy s LEU 562 Ca 0.14 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.26 1pyy s LEU 562 Cb -0.08 -4.44 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 1pyy s LEU 562 CO 0.07 -2.70 -0.07 0.68 0.23 0.00 0.00 176.35 174.56 1pyy s VAL 563 N -2.77 1.57 0.00 -1.59 -7.23 -1.26 -4.74 120.40 104.38 1pyy s VAL 563 Ca 0.64 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1pyy s VAL 563 Cb -0.20 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1pyy s VAL 563 CO 0.57 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 1pyy n GLY 564 N -0.51 3.88 0.36 2.32 0.00 -1.26 -4.65 105.19 105.32 1pyy n GLY 564 Ca -0.06 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.70 1pyy n GLY 564 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pyy h LEU 565 N 0.00 0.00 -0.74 0.99 3.38 -2.00 -2.16 115.31 114.78 1pyy h LEU 565 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyy h LEU 565 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pyy h LEU 565 CO 0.00 0.00 -0.11 0.35 0.09 0.00 0.00 178.44 178.77 1pyy n THR 566 N -3.07 0.00 -1.38 0.22 -2.24 -1.26 -4.83 114.28 101.72 1pyy n THR 566 Ca 0.02 -0.44 -0.39 0.00 -2.27 0.00 0.00 64.05 60.97 1pyy n THR 566 Cb 0.59 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 1pyy n THR 566 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pyy n ASP 567 N -0.25 4.73 -3.78 3.42 8.00 -0.82 -3.75 116.55 124.11 1pyy n ASP 567 Ca 0.03 -2.68 -0.13 0.00 0.71 0.00 0.00 54.79 52.72 1pyy n ASP 567 Cb 0.13 -1.44 -0.09 0.00 -0.02 0.00 0.00 41.12 39.70 1pyy n ASP 567 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pyy s TYR 568 N 3.42 -0.15 -0.41 1.24 2.02 -1.26 -3.97 117.35 118.24 1pyy s TYR 568 Ca 0.53 0.21 -0.18 0.00 -0.37 0.00 0.00 57.07 57.26 1pyy s TYR 568 Cb 0.14 0.08 0.01 0.00 -0.40 0.00 0.00 41.96 41.80 1pyy s TYR 568 CO -0.03 -0.38 0.47 0.42 -1.57 0.00 0.00 175.55 174.47 1pyy s ILE 569 N -1.34 5.04 0.13 2.71 1.01 -0.37 -0.99 121.20 127.38 1pyy s ILE 569 Ca -0.14 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.22 1pyy s ILE 569 Cb -0.06 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 1pyy s ILE 569 CO 0.04 -0.39 0.57 -0.36 0.00 0.00 0.00 174.94 174.80 1pyy s PHE 570 N 2.28 3.68 0.26 3.97 0.08 0.58 -1.00 117.98 127.83 1pyy s PHE 570 Ca 0.15 1.16 -0.12 0.00 0.12 0.00 0.00 56.93 58.24 1pyy s PHE 570 Cb -0.16 -2.44 -0.00 0.00 -0.57 0.00 0.00 43.02 39.85 1pyy s PHE 570 CO 0.14 0.48 0.50 -1.54 -0.10 0.00 0.00 175.22 174.70 1pyy s SER 571 N -1.50 -0.02 -0.27 1.36 1.04 0.21 -0.04 113.70 114.48 1pyy s SER 571 Ca 0.35 -0.97 -0.23 0.00 0.48 0.00 0.00 55.95 55.58 1pyy s SER 571 Cb -0.17 0.61 0.08 0.00 0.10 0.00 0.00 66.02 66.64 1pyy s SER 571 CO 0.19 -1.18 0.76 0.00 0.98 0.00 0.00 173.24 173.98 1pyy s ALA 572 N -3.87 -1.84 -0.05 5.32 0.00 -0.39 0.68 121.76 121.61 1pyy s ALA 572 Ca 0.22 2.09 0.06 0.00 0.00 0.00 0.00 51.96 54.33 1pyy s ALA 572 Cb -0.01 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1pyy s ALA 572 CO 0.10 -0.34 -0.23 0.54 0.00 0.00 0.00 175.76 175.83 1pyy s VAL 573 N 0.63 1.92 -0.00 0.00 0.11 -0.79 -0.57 120.40 121.69 1pyy s VAL 573 Ca -0.02 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.08 1pyy s VAL 573 Cb -0.05 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1pyy s VAL 573 CO -0.04 0.54 -0.14 -0.94 -3.33 0.00 0.00 175.10 171.18 1pyy s SER 574 N -0.12 1.68 -0.13 3.54 1.04 0.02 -2.40 113.70 117.34 1pyy s SER 574 Ca -0.04 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.10 1pyy s SER 574 Cb -0.13 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.84 1pyy s SER 574 CO 0.03 0.16 -0.08 -0.04 0.98 0.00 0.00 173.24 174.29 1pyy s MET 575 N -0.46 1.56 -0.03 4.02 -1.94 -0.30 -1.02 119.30 121.13 1pyy s MET 575 Ca 0.05 -0.33 -0.03 0.00 -1.71 0.00 0.00 55.69 53.67 1pyy s MET 575 Cb -0.06 -1.72 0.01 0.00 2.01 0.00 0.00 34.83 35.07 1pyy s MET 575 CO -0.00 -0.30 0.08 -1.54 -0.01 0.00 0.00 175.02 173.25 1pyy s SER 576 N 1.68 -0.08 0.61 3.03 1.04 -0.85 -1.28 113.70 117.85 1pyy s SER 576 Ca 0.04 0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 1pyy s SER 576 Cb -0.13 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 1pyy s SER 576 CO -0.08 -0.03 1.12 -2.84 0.98 0.00 0.00 173.24 172.38 1pyy s PRO 577 N 0.10 3.03 0.26 4.02 0.02 -1.26 -0.16 135.00 141.02 1pyy s PRO 577 Ca -0.00 1.47 -0.02 0.00 0.02 0.00 0.00 61.00 62.46 1pyy s PRO 577 Cb -0.01 -1.97 0.43 0.00 0.02 0.00 0.00 34.50 32.97 1pyy s PRO 577 CO -0.00 -1.08 1.84 0.00 -0.33 0.00 0.00 177.00 177.43 1pyy h ALA 578 N 0.50 1.33 -0.56 -1.55 0.00 -0.76 -1.45 119.26 116.77 1pyy h ALA 578 Ca -0.48 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1pyy h ALA 578 Cb 1.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1pyy h ALA 578 CO 0.55 0.25 0.01 0.93 0.00 0.00 0.00 179.25 180.99 1pyy h GLU 579 N 0.97 0.97 -1.71 0.00 3.07 -1.90 -3.40 114.58 112.59 1pyy h GLU 579 Ca 0.43 -0.30 -0.32 0.00 -0.50 0.00 0.00 59.36 58.67 1pyy h GLU 579 Cb 0.32 -0.09 -0.28 0.00 -0.84 0.00 0.00 28.75 27.86 1pyy h GLU 579 CO -0.22 0.97 -0.66 1.21 -1.40 0.00 0.00 179.01 178.91 1pyy s ASN 580 N -6.45 0.35 0.45 1.42 3.04 -1.14 -5.04 114.94 107.57 1pyy s ASN 580 Ca -0.12 -1.71 -0.25 0.00 0.04 0.00 0.00 52.86 50.81 1pyy s ASN 580 Cb 0.13 0.85 -0.09 0.00 -1.54 0.00 0.00 41.25 40.60 1pyy s ASN 580 CO 0.84 -0.20 1.45 -2.65 -3.04 0.00 0.00 177.10 173.50 1pyy n PRO 581 N 3.84 2.31 -0.08 0.43 -0.02 -0.56 -4.08 135.00 136.83 1pyy n PRO 581 Ca 0.15 0.82 -0.10 0.00 -2.02 0.00 0.00 63.50 62.35 1pyy n PRO 581 Cb 0.49 -2.65 -0.10 0.00 -0.02 0.00 0.00 33.50 31.22 1pyy n PRO 581 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pyy n ASP 582 N -0.15 1.86 -4.10 2.55 8.00 0.78 -4.45 116.55 121.04 1pyy n ASP 582 Ca 0.05 -0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1pyy n ASP 582 Cb 0.41 0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 41.68 1pyy n ASP 582 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pyy s PHE 583 N -2.37 1.46 -0.16 1.24 0.08 -0.65 -0.81 117.98 116.76 1pyy s PHE 583 Ca -0.16 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.49 1pyy s PHE 583 Cb 0.05 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1pyy s PHE 583 CO 0.53 -0.11 -0.07 0.42 -0.10 0.00 0.00 175.22 175.89 1pyy s ILE 584 N -0.03 3.54 -0.13 0.64 1.01 0.10 -2.01 121.20 124.31 1pyy s ILE 584 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1pyy s ILE 584 Cb -0.09 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1pyy s ILE 584 CO 0.01 0.49 -0.20 -0.22 0.00 0.00 0.00 174.94 175.02 1pyy s LEU 585 N 0.55 2.00 -0.17 2.97 2.96 -0.19 0.03 118.68 126.83 1pyy s LEU 585 Ca -0.05 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1pyy s LEU 585 Cb -0.15 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.22 1pyy s LEU 585 CO 0.03 0.07 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.49 1pyy s TYR 586 N 0.84 2.48 -0.12 5.38 5.04 -0.59 -0.80 117.35 129.58 1pyy s TYR 586 Ca -0.07 -1.45 0.02 0.00 -2.44 0.00 0.00 57.07 53.12 1pyy s TYR 586 Cb -0.15 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.40 1pyy s TYR 586 CO -0.01 -0.74 -0.20 0.08 -1.34 0.00 0.00 175.55 173.34 1pyy s VAL 587 N 1.39 2.39 -0.05 3.14 1.01 0.26 -1.58 120.40 126.97 1pyy s VAL 587 Ca 0.04 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1pyy s VAL 587 Cb -0.13 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1pyy s VAL 587 CO -0.12 0.55 -0.19 0.42 0.00 0.00 0.00 175.10 175.76 1pyy s THR 588 N 0.41 1.57 -0.21 3.92 -4.23 0.38 -1.26 115.64 116.21 1pyy s THR 588 Ca -0.15 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 1pyy s THR 588 Cb -0.17 -1.35 0.07 0.00 1.34 0.00 0.00 72.50 72.39 1pyy s THR 588 CO 0.07 0.45 0.08 -0.69 -0.54 0.00 0.00 174.62 173.99 1pyy s VAL 589 N 0.04 0.19 -0.15 2.29 1.01 0.94 -0.65 120.40 124.07 1pyy s VAL 589 Ca -0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1pyy s VAL 589 Cb -0.12 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1pyy s VAL 589 CO 0.03 -0.38 0.34 -1.58 0.00 0.00 0.00 175.10 173.51 1pyy s GLN 590 N 2.00 4.26 -1.07 2.72 0.74 -0.18 -0.30 119.66 127.83 1pyy s GLN 590 Ca 0.03 0.19 -0.21 0.00 0.05 0.00 0.00 55.36 55.42 1pyy s GLN 590 Cb -0.16 -3.42 0.02 0.00 1.10 0.00 0.00 33.01 30.54 1pyy s GLN 590 CO -0.16 0.23 0.70 1.04 -0.55 0.00 0.00 175.29 176.55 1pyy n GLN 591 N 3.55 -0.88 -2.10 1.67 6.02 -0.16 -1.34 117.38 124.14 1pyy n GLN 591 Ca -0.11 0.43 -0.27 0.00 -0.01 0.00 0.00 57.00 57.03 1pyy n GLN 591 Cb 0.52 -3.08 0.06 0.00 1.02 0.00 0.00 30.24 28.76 1pyy n GLN 591 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1pyy s PRO 592 N -6.18 2.37 -0.04 -1.09 0.04 -1.26 -3.16 135.00 125.68 1pyy s PRO 592 Ca 0.34 0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.39 1pyy s PRO 592 Cb -0.16 -2.10 -0.26 0.00 0.04 0.00 0.00 34.50 32.01 1pyy s PRO 592 CO 0.91 -1.21 0.69 0.93 0.04 0.00 0.00 177.00 178.36 1pyy h GLU 593 N -0.66 0.18 -4.53 4.56 5.08 0.11 -3.44 114.58 115.89 1pyy h GLU 593 Ca -0.45 -0.31 -0.26 0.00 -1.00 0.00 0.00 59.36 57.34 1pyy h GLU 593 Cb 1.30 0.11 -0.21 0.00 0.50 0.00 0.00 28.75 30.46 1pyy h GLU 593 CO 0.62 0.97 -0.73 -1.01 -1.00 0.00 0.00 179.01 177.86 1pyy s HIS 594 N -2.60 0.66 -0.21 4.33 3.76 -1.02 -5.00 115.29 115.22 1pyy s HIS 594 Ca -0.11 -0.55 -0.28 0.00 -0.15 0.00 0.00 55.06 53.98 1pyy s HIS 594 Cb 0.07 -0.40 0.12 0.00 1.11 0.00 0.00 32.58 33.48 1pyy s HIS 594 CO 0.82 -0.10 0.96 -0.47 -0.85 0.00 0.00 174.74 175.11 1pyy s TYR 595 N -1.61 -0.47 -0.08 1.40 5.04 -1.26 -4.36 117.35 116.00 1pyy s TYR 595 Ca -0.08 0.99 -0.31 0.00 -2.44 0.00 0.00 57.07 55.22 1pyy s TYR 595 Cb -0.08 0.40 0.12 0.00 0.35 0.00 0.00 41.96 42.74 1pyy s TYR 595 CO -0.00 -0.32 1.04 -1.54 -1.34 0.00 0.00 175.55 173.39 1pyy s SER 596 N -0.44 -0.25 0.63 4.32 1.04 -1.26 -5.02 113.70 112.73 1pyy s SER 596 Ca -0.00 -0.02 0.37 0.00 0.48 0.00 0.00 55.95 56.77 1pyy s SER 596 Cb -0.03 0.28 2.09 0.00 0.10 0.00 0.00 66.02 68.46 1pyy s SER 596 CO -0.01 -0.45 2.28 1.23 0.98 0.00 0.00 173.24 177.27 1pyy h GLY 597 N 2.00 0.00 0.72 7.32 0.00 -1.98 -2.20 103.07 108.92 1pyy h GLY 597 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1pyy h GLY 597 CO 0.27 0.00 -0.07 -2.22 0.00 0.00 0.00 176.54 174.52 1pyy h ILE 598 N 0.00 1.32 -0.53 2.60 5.03 -1.95 -1.17 117.51 122.80 1pyy h ILE 598 Ca 0.01 -1.11 -0.08 0.00 -0.12 0.00 0.00 64.86 63.56 1pyy h ILE 598 Cb 0.07 1.80 -0.02 0.00 -3.03 0.00 0.00 36.82 35.64 1pyy h ILE 598 CO -0.00 0.32 0.03 1.56 -0.68 0.00 0.00 178.15 179.38 1pyy h GLN 599 N -0.09 0.92 -0.91 2.37 7.50 -1.82 -1.40 115.11 121.69 1pyy h GLN 599 Ca 0.03 -0.28 0.06 0.00 0.50 0.00 0.00 58.65 58.96 1pyy h GLN 599 Cb 0.54 -0.09 -0.06 0.00 0.05 0.00 0.00 27.48 27.91 1pyy h GLN 599 CO 0.02 0.92 0.57 1.25 -1.50 0.00 0.00 178.83 180.10 1pyy h LEU 600 N 0.80 0.91 -0.33 1.46 5.85 -1.40 -2.28 115.31 120.31 1pyy h LEU 600 Ca 0.16 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1pyy h LEU 600 Cb 0.49 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1pyy h LEU 600 CO 0.02 0.58 -0.11 1.23 -0.34 0.00 0.00 178.44 179.82 1pyy h GLY 601 N 1.04 0.72 2.00 3.75 0.00 -0.83 -0.28 103.07 109.47 1pyy h GLY 601 Ca 0.39 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1pyy h GLY 601 CO -0.17 0.56 -0.01 0.83 0.00 0.00 0.00 176.54 177.75 1pyy h GLU 602 N 0.44 0.00 0.05 4.80 5.08 -0.81 0.43 114.58 124.57 1pyy h GLU 602 Ca 0.08 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.16 1pyy h GLU 602 Cb 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1pyy h GLU 602 CO 0.04 0.01 -1.55 0.34 -1.00 0.00 0.00 179.01 176.85 1pyy n PHE 603 N -3.40 1.10 0.05 4.33 7.35 -0.90 -4.54 117.46 121.44 1pyy n PHE 603 Ca -0.03 0.37 -0.19 0.00 -0.76 0.00 0.00 57.45 56.84 1pyy n PHE 603 Cb 0.09 -1.12 -0.14 0.00 0.35 0.00 0.00 39.48 38.65 1pyy n PHE 603 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1pyy h ALA 604 N -0.30 0.31 -0.60 3.13 0.00 -0.62 -3.34 119.26 117.84 1pyy h ALA 604 Ca -0.38 -1.22 -0.01 0.00 0.00 0.00 0.00 54.91 53.30 1pyy h ALA 604 Cb 1.57 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 1pyy h ALA 604 CO -0.11 1.18 0.35 -0.91 0.00 0.00 0.00 179.25 179.76 1pyy h ASN 605 N 0.08 0.74 0.37 0.00 2.35 -1.14 -0.25 115.58 117.73 1pyy h ASN 605 Ca -0.33 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.28 1pyy h ASN 605 Cb 2.05 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.23 1pyy h ASN 605 CO 0.14 0.60 -0.30 -0.65 -1.65 0.00 0.00 177.43 175.57 1pyy h PRO 606 N 0.82 0.00 -0.10 0.81 0.11 -1.75 -1.34 132.00 130.54 1pyy h PRO 606 Ca 0.21 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1pyy h PRO 606 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1pyy h PRO 606 CO -0.04 0.30 -0.29 0.82 -0.21 0.00 0.00 178.00 178.58 1pyy h ILE 607 N 0.00 1.39 -0.64 4.15 2.04 -1.55 -2.33 117.51 120.57 1pyy h ILE 607 Ca -0.00 -1.63 -0.09 0.00 1.00 0.00 0.00 64.86 64.14 1pyy h ILE 607 Cb 0.56 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1pyy h ILE 607 CO 0.04 0.47 0.05 -0.07 0.00 0.00 0.00 178.15 178.64 1pyy h LEU 608 N -0.07 1.06 0.04 1.44 3.38 -0.89 -0.16 115.31 120.11 1pyy h LEU 608 Ca -0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1pyy h LEU 608 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1pyy h LEU 608 CO 0.06 1.08 -0.02 -0.08 0.09 0.00 0.00 178.44 179.58 1pyy h GLU 609 N 1.01 -0.05 -0.61 1.13 4.81 -1.29 0.19 114.58 119.77 1pyy h GLU 609 Ca 0.19 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1pyy h GLU 609 Cb 0.51 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1pyy h GLU 609 CO 0.02 -0.02 0.34 -0.09 -0.73 0.00 0.00 179.01 178.52 1pyy h ARG 610 N -0.05 0.62 -0.58 1.92 9.65 -1.26 -0.19 114.38 124.49 1pyy h ARG 610 Ca -0.00 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1pyy h ARG 610 Cb 0.04 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 1pyy h ARG 610 CO 0.01 0.41 0.38 0.00 2.80 0.00 0.00 179.97 183.56 1pyy h ALA 611 N 1.32 0.73 0.06 2.80 0.00 -0.48 -2.07 119.26 121.62 1pyy h ALA 611 Ca 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pyy h ALA 611 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pyy h ALA 611 CO -0.17 0.16 -0.03 0.77 0.00 0.00 0.00 179.25 179.98 1pyy h SER 612 N 0.77 -0.07 -0.38 0.00 0.02 -0.47 -2.86 113.55 110.56 1pyy h SER 612 Ca 0.21 -0.31 0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1pyy h SER 612 Cb -0.08 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.40 1pyy h SER 612 CO -0.05 0.28 -0.16 0.00 -1.14 0.00 0.00 176.83 175.76 1pyy h ALA 613 N 0.48 0.15 -0.84 3.77 0.00 -0.93 -2.02 119.26 119.87 1pyy h ALA 613 Ca -0.01 0.14 -0.48 0.00 0.00 0.00 0.00 54.91 54.56 1pyy h ALA 613 Cb 0.38 0.40 -0.25 0.00 0.00 0.00 0.00 17.79 18.32 1pyy h ALA 613 CO 0.01 -0.52 0.62 0.00 0.00 0.00 0.00 179.25 179.36 1pyy n MET 614 N -5.35 2.18 0.09 0.00 0.00 -0.79 -4.65 117.12 108.59 1pyy n MET 614 Ca 0.02 -2.60 -0.12 0.00 0.00 0.00 0.00 57.70 55.00 1pyy n MET 614 Cb 0.26 -2.02 -0.05 0.00 0.00 0.00 0.00 33.22 31.41 1pyy n MET 614 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1pyy h LYS 615 N 1.20 -0.37 -0.60 3.17 3.64 -1.11 -2.43 116.57 120.06 1pyy h LYS 615 Ca 0.53 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.96 1pyy h LYS 615 Cb 1.95 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.82 1pyy h LYS 615 CO 1.08 -0.25 0.36 -0.44 -2.27 0.00 0.00 179.45 177.92 1pyy h ASP 616 N -0.39 0.57 0.00 4.20 3.32 -1.84 -1.63 116.42 120.65 1pyy h ASP 616 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pyy h ASP 616 Cb 0.44 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1pyy h ASP 616 CO -0.16 0.40 0.19 -1.28 -1.72 0.00 0.00 179.24 176.67 1pyy h SER 617 N 0.70 0.00 0.91 6.45 0.87 -1.79 -0.99 113.55 119.70 1pyy h SER 617 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1pyy h SER 617 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1pyy h SER 617 CO -0.11 0.00 -0.94 0.18 -0.53 0.00 0.00 176.83 175.42 1pyy n LEU 618 N -2.33 0.79 -3.63 2.23 4.77 -0.61 -4.99 117.00 113.23 1pyy n LEU 618 Ca -0.01 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 1pyy n LEU 618 Cb 0.22 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1pyy n LEU 618 CO 0.09 -0.14 -0.06 0.59 -1.33 0.00 0.00 177.39 176.54 1pyy n ASN 619 N -2.50 -3.37 -0.08 -1.43 5.03 -0.38 -4.89 115.26 107.66 1pyy n ASN 619 Ca 0.01 -0.87 0.01 0.00 0.87 0.00 0.00 54.58 54.60 1pyy n ASN 619 Cb 0.52 -3.99 0.32 0.00 -1.02 0.00 0.00 39.78 35.60 1pyy n ASN 619 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1pyy h LEU 620 N -1.74 0.62 -3.48 3.41 4.07 -1.84 -3.18 115.31 113.17 1pyy h LEU 620 Ca -0.63 -0.05 -0.35 0.00 0.08 0.00 0.00 57.88 56.93 1pyy h LEU 620 Cb 1.35 -0.16 -0.27 0.00 1.08 0.00 0.00 40.66 42.66 1pyy h LEU 620 CO 0.52 0.52 -0.65 0.00 -1.08 0.00 0.00 178.44 177.75 1pyy n GLN 621 N -4.39 2.84 -4.03 1.13 6.02 -1.26 -4.91 117.38 112.79 1pyy n GLN 621 Ca 0.04 -3.82 -0.10 0.00 -0.01 0.00 0.00 57.00 53.11 1pyy n GLN 621 Cb 0.11 -2.04 -0.11 0.00 1.02 0.00 0.00 30.24 29.23 1pyy n GLN 621 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1pyy s THR 622 N -4.09 0.28 1.07 5.09 -4.23 -1.20 -5.17 115.64 107.40 1pyy s THR 622 Ca 0.47 -1.11 -0.16 0.00 -1.18 0.00 0.00 61.69 59.71 1pyy s THR 622 Cb 0.40 -0.57 0.23 0.00 1.34 0.00 0.00 72.50 73.89 1pyy s THR 622 CO -0.00 -0.54 1.13 -0.89 -0.54 0.00 0.00 174.62 173.79 1pyy s THR 623 N -1.81 1.82 0.09 3.99 2.01 -1.26 -4.92 115.64 115.56 1pyy s THR 623 Ca -0.10 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 61.56 1pyy s THR 623 Cb -0.07 -2.59 -0.13 0.00 0.01 0.00 0.00 72.50 69.72 1pyy s THR 623 CO -0.02 0.00 1.69 0.00 -0.69 0.00 0.00 174.62 175.60 1pyy n ALA 624 N -4.33 1.32 0.24 7.40 0.00 -1.26 -4.86 120.51 119.01 1pyy n ALA 624 Ca 0.10 0.39 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1pyy n ALA 624 Cb 0.59 -2.42 0.60 0.00 0.00 0.00 0.00 19.45 18.22 1pyy n ALA 624 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1pyy h LYS 625 N 7.11 0.00 -0.28 0.00 1.63 -1.90 -2.87 116.57 120.25 1pyy h LYS 625 Ca -0.46 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.16 1pyy h LYS 625 Cb 1.26 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1pyy h LYS 625 CO 0.91 0.14 -0.53 0.00 -3.45 0.00 0.00 179.45 176.52 1pyy h ALA 626 N 1.86 0.52 -0.30 5.00 0.00 -1.89 -2.94 119.26 121.51 1pyy h ALA 626 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1pyy h ALA 626 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pyy h ALA 626 CO 0.02 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.23 1pyy n LEU 627 N -4.00 2.81 0.10 0.00 4.32 -1.10 -4.36 117.00 114.76 1pyy n LEU 627 Ca -0.04 -1.42 0.07 0.00 -0.02 0.00 0.00 56.01 54.60 1pyy n LEU 627 Cb 0.61 -0.48 0.35 0.00 -1.62 0.00 0.00 43.42 42.28 1pyy n LEU 627 CO 0.50 0.44 0.70 1.21 -1.22 0.00 0.00 177.39 179.01 1pyy n GLU 628 N 0.37 0.08 -0.06 3.23 2.13 -1.11 -1.92 120.64 123.35 1pyy n GLU 628 Ca 0.13 0.58 -0.03 0.00 0.66 0.00 0.00 57.16 58.49 1pyy n GLU 628 Cb 0.57 -1.77 -0.15 0.00 0.27 0.00 0.00 31.44 30.37 1pyy n GLU 628 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1pyy n GLN 629 N -1.94 0.89 -2.37 5.31 1.13 -1.26 -4.85 117.38 114.29 1pyy n GLN 629 Ca -0.01 -0.06 -0.36 0.00 -1.94 0.00 0.00 57.00 54.63 1pyy n GLN 629 Cb 0.02 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.87 1pyy n GLN 629 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pyy s VAL 630 N -2.74 3.73 -2.35 5.09 1.01 -0.81 -4.76 120.40 119.58 1pyy s VAL 630 Ca -0.08 -0.51 0.24 0.00 0.00 0.00 0.00 61.98 61.63 1pyy s VAL 630 Cb 0.08 -4.66 0.52 0.00 0.00 0.00 0.00 36.38 32.32 1pyy s VAL 630 CO 0.77 -1.57 1.68 -1.54 0.00 0.00 0.00 175.10 174.43 1pyy n SER 631 N 10.73 1.43 -4.74 3.32 3.41 -1.26 -4.79 113.62 121.72 1pyy n SER 631 Ca 0.33 -1.57 -0.39 0.00 -0.26 0.00 0.00 58.87 56.98 1pyy n SER 631 Cb 0.50 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1pyy n SER 631 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1pyy s GLN 632 N -1.90 4.33 -0.22 4.33 2.00 -1.26 -5.04 119.66 121.90 1pyy s GLN 632 Ca 0.35 0.64 -0.12 0.00 -2.00 0.00 0.00 55.36 54.23 1pyy s GLN 632 Cb 0.19 -3.39 -0.05 0.00 0.80 0.00 0.00 33.01 30.56 1pyy s GLN 632 CO 0.30 0.25 0.21 -0.65 -0.50 0.00 0.00 175.29 174.89 1pyy s GLN 633 N 0.27 4.13 0.39 1.67 -0.21 -1.25 -1.06 119.66 123.58 1pyy s GLN 633 Ca 0.30 -0.15 -0.27 0.00 0.02 0.00 0.00 55.36 55.26 1pyy s GLN 633 Cb -0.17 -3.50 -0.10 0.00 1.00 0.00 0.00 33.01 30.24 1pyy s GLN 633 CO 0.14 0.11 1.42 -1.12 -2.12 0.00 0.00 175.29 173.73 1pyy s SER 634 N 0.86 6.31 0.36 5.90 0.01 -1.02 -4.72 113.70 121.40 1pyy s SER 634 Ca 0.10 2.91 -0.20 0.00 1.31 0.00 0.00 55.95 60.08 1pyy s SER 634 Cb -0.13 -2.66 -0.10 0.00 0.21 0.00 0.00 66.02 63.34 1pyy s SER 634 CO 0.04 -0.88 0.86 -2.16 0.41 0.00 0.00 173.24 171.51 1pyy s PRO 635 N -2.14 4.22 -0.06 12.44 0.04 -1.26 -4.84 135.00 143.40 1pyy s PRO 635 Ca 0.54 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1pyy s PRO 635 Cb -0.44 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 31.71 1pyy s PRO 635 CO 0.58 0.12 0.10 -0.47 0.04 0.00 0.00 177.00 177.37 1pyy s TYR 636 N -1.96 -0.04 0.15 0.56 5.04 -1.26 -5.02 117.35 114.82 1pyy s TYR 636 Ca 0.56 0.40 -0.24 0.00 -2.44 0.00 0.00 57.07 55.34 1pyy s TYR 636 Cb -0.12 -0.37 -0.08 0.00 0.35 0.00 0.00 41.96 41.74 1pyy s TYR 636 CO 0.17 -0.22 0.74 -1.25 -1.34 0.00 0.00 175.55 173.65 1pyy s PRO 637 N 2.14 4.49 -0.19 4.97 0.04 -1.26 -0.02 135.00 145.17 1pyy s PRO 637 Ca 0.03 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1pyy s PRO 637 Cb -0.12 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1pyy s PRO 637 CO -0.04 0.58 1.82 1.41 0.04 0.00 0.00 177.00 180.80 1pyy s MET 638 N -1.18 3.66 1.22 4.56 -2.45 -0.12 -4.81 119.30 120.18 1pyy s MET 638 Ca 0.35 1.86 -0.16 0.00 -1.25 0.00 0.00 55.69 56.48 1pyy s MET 638 Cb -0.22 -4.14 0.26 0.00 1.25 0.00 0.00 34.83 31.97 1pyy s MET 638 CO 0.25 -1.47 0.67 -2.30 1.05 0.00 0.00 175.02 173.21 1pyy n PRO 639 N 7.96 -2.75 -2.40 4.11 -0.02 -1.26 -1.18 135.00 139.45 1pyy n PRO 639 Ca 0.22 -0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 60.54 1pyy n PRO 639 Cb 0.45 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1pyy n PRO 639 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pyy s SER 640 N -2.32 6.38 -0.01 2.55 0.15 -1.26 -4.57 113.70 114.63 1pyy s SER 640 Ca 0.63 2.15 0.17 0.00 0.70 0.00 0.00 55.95 59.61 1pyy s SER 640 Cb -0.19 -2.59 0.51 0.00 -1.71 0.00 0.00 66.02 62.04 1pyy s SER 640 CO 0.62 -0.76 1.42 1.33 1.20 0.00 0.00 173.24 177.05 1pyy n VAL 641 N -0.45 1.04 -3.67 4.45 0.24 -1.26 -4.91 118.33 113.77 1pyy n VAL 641 Ca 0.07 -1.02 -0.37 0.00 -2.04 0.00 0.00 64.34 60.98 1pyy n VAL 641 Cb 0.49 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.29 1pyy n VAL 641 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1pyy s LYS 642 N -1.04 3.69 -1.47 7.34 2.47 -1.26 -4.35 119.74 125.12 1pyy s LYS 642 Ca 0.38 0.14 -0.10 0.00 -1.56 0.00 0.00 55.97 54.83 1pyy s LYS 642 Cb 0.20 -3.17 0.06 0.00 -1.46 0.00 0.00 37.83 33.45 1pyy s LYS 642 CO 0.25 0.71 0.85 -0.25 0.16 0.00 0.00 175.35 177.07 1pyy n ASP 643 N 1.71 -5.14 -3.77 1.43 8.00 -1.26 -4.98 116.55 112.54 1pyy n ASP 643 Ca -0.15 -0.57 -0.13 0.00 0.71 0.00 0.00 54.79 54.65 1pyy n ASP 643 Cb 0.53 -4.12 -0.12 0.00 -0.02 0.00 0.00 41.12 37.39 1pyy n ASP 643 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1pyy s ILE 644 N -3.21 -0.01 0.48 0.53 2.07 -1.26 -5.16 121.20 114.64 1pyy s ILE 644 Ca 0.53 0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.63 1pyy s ILE 644 Cb -0.26 -0.35 -0.09 0.00 0.13 0.00 0.00 42.46 41.89 1pyy s ILE 644 CO 0.66 0.02 0.99 -0.94 -1.91 0.00 0.00 174.94 173.76 1pyy s SER 645 N 0.53 6.59 0.27 4.50 1.04 -1.26 -4.18 113.70 121.18 1pyy s SER 645 Ca -0.03 1.75 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 1pyy s SER 645 Cb -0.05 -2.54 0.58 0.00 0.10 0.00 0.00 66.02 64.11 1pyy s SER 645 CO -0.03 -0.60 1.72 -0.65 0.98 0.00 0.00 173.24 174.66 1pyy h PRO 646 N 1.49 0.44 -0.62 4.02 0.11 -1.83 -1.88 132.00 133.71 1pyy h PRO 646 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1pyy h PRO 646 Cb 1.20 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1pyy h PRO 646 CO 0.60 0.29 0.31 0.78 -0.21 0.00 0.00 178.00 179.78 1pyy h GLY 647 N 0.45 0.95 1.57 -0.55 0.00 -1.92 -1.04 103.07 102.52 1pyy h GLY 647 Ca 0.48 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1pyy h GLY 647 CO -0.45 0.44 -0.46 -0.55 0.00 0.00 0.00 176.54 175.51 1pyy h ASP 648 N 0.85 0.51 -0.42 0.19 3.32 -1.75 -2.40 116.42 116.73 1pyy h ASP 648 Ca 0.22 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1pyy h ASP 648 Cb 0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1pyy h ASP 648 CO -0.03 0.90 -0.22 0.25 -1.72 0.00 0.00 179.24 178.42 1pyy h LEU 649 N 0.38 0.91 -0.73 1.55 7.12 -1.22 -1.94 115.31 121.39 1pyy h LEU 649 Ca 0.02 -0.41 0.02 0.00 0.13 0.00 0.00 57.88 57.64 1pyy h LEU 649 Cb 0.96 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.79 1pyy h LEU 649 CO 0.08 1.12 0.47 0.00 -0.13 0.00 0.00 178.44 179.99 1pyy h ALA 650 N 0.82 0.93 -0.07 1.25 0.00 -1.08 0.97 119.26 122.08 1pyy h ALA 650 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pyy h ALA 650 Cb 0.79 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pyy h ALA 650 CO 0.06 0.30 0.01 0.93 0.00 0.00 0.00 179.25 180.55 1pyy h GLU 651 N 0.95 0.03 -0.25 0.00 5.08 -1.26 -1.50 114.58 117.63 1pyy h GLU 651 Ca 0.28 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.69 1pyy h GLU 651 Cb -0.06 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1pyy h GLU 651 CO -0.08 0.02 -0.16 1.49 -1.00 0.00 0.00 179.01 179.28 1pyy h GLU 652 N 0.03 -0.14 -0.99 2.33 4.57 -0.61 -1.98 114.58 117.79 1pyy h GLU 652 Ca 0.03 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1pyy h GLU 652 Cb 0.03 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 1pyy h GLU 652 CO -0.05 -0.09 0.64 -0.07 -1.18 0.00 0.00 179.01 178.25 1pyy h LEU 653 N -0.15 1.01 -1.00 1.64 3.38 -0.55 -2.07 115.31 117.57 1pyy h LEU 653 Ca 0.14 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1pyy h LEU 653 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1pyy h LEU 653 CO -0.34 0.63 -0.39 0.03 0.09 0.00 0.00 178.44 178.45 1pyy h ARG 654 N 1.13 0.00 0.00 1.13 3.08 -0.64 -0.05 114.38 119.03 1pyy h ARG 654 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1pyy h ARG 654 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1pyy h ARG 654 CO -0.19 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 1pyy h ARG 655 N 0.00 0.00 -0.24 0.04 3.08 -0.66 -2.38 114.38 114.21 1pyy h ARG 655 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1pyy h ARG 655 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 1pyy h ARG 655 CO 0.05 0.00 -0.08 0.09 -1.07 0.00 0.00 179.97 178.96 1pyy n ASN 656 N -2.67 2.82 -2.29 7.04 3.02 -0.69 -4.98 115.26 117.51 1pyy n ASN 656 Ca 0.00 -3.46 -0.21 0.00 -0.03 0.00 0.00 54.58 50.89 1pyy n ASN 656 Cb 0.21 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 1pyy n ASN 656 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pyy n LEU 657 N -0.98 -1.88 -4.90 3.41 4.32 -0.90 -4.87 117.00 111.20 1pyy n LEU 657 Ca 0.26 0.06 -0.32 0.00 -0.02 0.00 0.00 56.01 55.98 1pyy n LEU 657 Cb 0.91 -2.92 -0.05 0.00 -1.62 0.00 0.00 43.42 39.74 1pyy n LEU 657 CO 0.13 -0.34 -0.16 -0.69 -1.22 0.00 0.00 177.39 175.12 1pyy s VAL 658 N -3.00 5.38 -0.72 4.08 1.01 -0.12 0.85 120.40 127.88 1pyy s VAL 658 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1pyy s VAL 658 Cb 0.00 -3.56 0.19 0.00 0.00 0.00 0.00 36.38 33.01 1pyy s VAL 658 CO 0.00 0.25 0.61 -1.10 0.00 0.00 0.00 175.10 174.86 1pyy s GLN 659 N -2.17 3.13 0.63 2.72 -0.21 0.05 -3.73 119.66 120.09 1pyy s GLN 659 Ca 0.30 -2.41 -0.14 0.00 0.02 0.00 0.00 55.36 53.13 1pyy s GLN 659 Cb -0.13 -4.14 -0.02 0.00 1.00 0.00 0.00 33.01 29.72 1pyy s GLN 659 CO 0.22 -1.24 1.06 -1.25 -2.12 0.00 0.00 175.29 171.96 1pyy s PRO 660 N 0.22 3.20 -0.36 2.91 0.04 -1.26 -1.45 135.00 138.30 1pyy s PRO 660 Ca 0.16 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1pyy s PRO 660 Cb -0.16 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1pyy s PRO 660 CO -0.06 -0.90 0.22 0.42 0.04 0.00 0.00 177.00 176.72 1pyy s ILE 661 N -2.65 0.26 0.25 0.56 1.01 -0.48 -4.82 121.20 115.33 1pyy s ILE 661 Ca 0.62 -1.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 1pyy s ILE 661 Cb -0.15 -1.20 -0.10 0.00 0.01 0.00 0.00 42.46 41.02 1pyy s ILE 661 CO 0.43 -0.99 1.37 -0.69 0.00 0.00 0.00 174.94 175.06 1pyy s VAL 662 N 0.98 2.88 -0.17 2.92 1.01 -1.26 -2.06 120.40 124.70 1pyy s VAL 662 Ca 0.18 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1pyy s VAL 662 Cb -0.23 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1pyy s VAL 662 CO 0.00 0.13 -0.17 -0.69 0.00 0.00 0.00 175.10 174.37 1pyy s VAL 663 N -0.18 2.38 0.00 2.92 1.01 0.03 -4.92 120.40 121.65 1pyy s VAL 663 Ca 0.56 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1pyy s VAL 663 Cb -0.39 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1pyy s VAL 663 CO 0.43 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.66 1pyy n GLY 664 N 4.38 -2.29 0.00 4.51 0.00 -1.26 -1.55 105.19 108.98 1pyy n GLY 664 Ca -0.20 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1pyy n GLY 664 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pyy n THR 665 N -0.06 0.49 -1.18 2.61 -2.24 0.14 -4.91 114.28 109.13 1pyy n THR 665 Ca 0.00 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 1pyy n THR 665 Cb 0.00 0.81 0.12 0.00 -2.10 0.00 0.00 70.33 69.16 1pyy n THR 665 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pyy s GLY 666 N -0.49 2.10 0.31 3.38 0.00 -1.18 -4.88 107.32 106.55 1pyy s GLY 666 Ca 0.00 0.76 0.22 0.00 0.00 0.00 0.00 44.72 45.70 1pyy s GLY 666 CO 0.00 1.17 1.32 -0.91 0.00 0.00 0.00 173.10 174.67 1pyy h THR 667 N -0.86 0.07 -2.56 0.90 1.35 -1.95 -3.42 112.91 106.43 1pyy h THR 667 Ca -0.46 -1.11 -0.60 0.00 -0.55 0.00 0.00 66.41 63.69 1pyy h THR 667 Cb 1.28 1.80 -0.13 0.00 -1.73 0.00 0.00 68.15 69.38 1pyy h THR 667 CO 0.47 0.04 -0.71 -0.54 -0.25 0.00 0.00 175.52 174.53 1pyy s LYS 668 N -3.25 2.05 -0.23 4.72 1.02 -1.26 -4.19 119.74 118.59 1pyy s LYS 668 Ca 0.03 -1.43 -0.18 0.00 0.02 0.00 0.00 55.97 54.41 1pyy s LYS 668 Cb 0.07 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1pyy s LYS 668 CO 0.73 0.39 0.50 0.42 -0.92 0.00 0.00 175.35 176.47 1pyy s ILE 669 N -2.09 5.10 -1.55 2.17 1.01 -1.26 -0.33 121.20 124.26 1pyy s ILE 669 Ca 0.28 0.89 0.21 0.00 0.00 0.00 0.00 60.65 62.03 1pyy s ILE 669 Cb -0.07 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 1pyy s ILE 669 CO 0.17 0.14 0.97 1.17 0.00 0.00 0.00 174.94 177.39 1pyy n LYS 670 N 5.14 0.90 0.00 2.79 4.81 0.26 -4.86 118.16 127.19 1pyy n LYS 670 Ca -0.05 -0.58 0.00 0.00 -0.87 0.00 0.00 58.31 56.81 1pyy n LYS 670 Cb 0.50 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1pyy n LYS 670 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1pyy n ASN 671 N -0.62 0.00 -3.56 3.14 2.85 -0.98 -4.97 115.26 111.11 1pyy n ASN 671 Ca 0.07 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.39 1pyy n ASN 671 Cb 0.40 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.36 1pyy n ASN 671 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1pyy s SER 672 N 0.00 -0.49 0.06 1.20 1.04 -1.26 -0.94 113.70 113.31 1pyy s SER 672 Ca 0.00 0.31 0.28 0.00 0.48 0.00 0.00 55.95 57.02 1pyy s SER 672 Cb 0.00 0.50 1.11 0.00 0.10 0.00 0.00 66.02 67.73 1pyy s SER 672 CO 0.00 -0.69 1.88 -1.54 0.98 0.00 0.00 173.24 173.88 1pyy n SER 673 N 0.56 0.24 -4.26 7.02 3.41 -0.47 -4.72 113.62 115.39 1pyy n SER 673 Ca -0.19 0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 58.64 1pyy n SER 673 Cb 0.59 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1pyy n SER 673 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pyy s ALA 674 N -3.03 2.05 0.16 7.33 0.00 -1.26 -4.96 121.76 122.04 1pyy s ALA 674 Ca 0.13 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1pyy s ALA 674 Cb 0.17 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.62 1pyy s ALA 674 CO 0.55 0.43 0.55 -1.21 0.00 0.00 0.00 175.76 176.09 1pyy s GLU 675 N -0.30 3.97 0.04 0.00 2.02 -1.26 -4.99 118.70 118.18 1pyy s GLU 675 Ca 0.01 0.48 -0.38 0.00 0.02 0.00 0.00 54.97 55.10 1pyy s GLU 675 Cb -0.12 -2.90 -0.18 0.00 0.10 0.00 0.00 34.13 31.04 1pyy s GLU 675 CO 0.02 0.46 1.26 -1.91 0.02 0.00 0.00 175.26 175.11 1pyy n GLU 676 N 0.70 0.75 0.00 1.61 2.13 -1.26 -0.69 120.64 123.87 1pyy n GLU 676 Ca -0.05 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1pyy n GLU 676 Cb 0.52 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.36 1pyy n GLU 676 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pyy n GLY 677 N 2.23 2.97 3.42 8.31 0.00 -0.33 -4.90 105.19 116.89 1pyy n GLY 677 Ca 0.19 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1pyy n GLY 677 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pyy n LYS 678 N 0.00 0.43 -2.71 1.61 4.81 0.13 -3.85 118.16 118.59 1pyy n LYS 678 Ca 0.00 0.16 -0.39 0.00 -0.87 0.00 0.00 58.31 57.21 1pyy n LYS 678 Cb 0.00 -1.37 -0.06 0.00 0.02 0.00 0.00 35.03 33.62 1pyy n LYS 678 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1pyy s ASN 679 N -0.95 7.40 -0.30 3.14 2.47 -1.26 -0.94 114.94 124.50 1pyy s ASN 679 Ca 0.62 1.95 0.00 0.00 0.42 0.00 0.00 52.86 55.86 1pyy s ASN 679 Cb -0.64 -2.60 0.06 0.00 -1.45 0.00 0.00 41.25 36.63 1pyy s ASN 679 CO 0.59 -0.02 -0.01 -0.76 -3.72 0.00 0.00 177.10 173.17 1pyy s LEU 680 N -1.69 3.98 0.73 3.21 1.43 0.98 -4.91 118.68 122.40 1pyy s LEU 680 Ca 0.47 -1.49 -0.13 0.00 -1.03 0.00 0.00 54.13 51.94 1pyy s LEU 680 Cb -0.23 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.36 1pyy s LEU 680 CO 0.29 -0.28 1.13 0.00 0.23 0.00 0.00 176.35 177.72 1pyy s ALA 681 N 1.15 2.25 0.18 4.21 0.00 -1.26 -4.24 121.76 124.05 1pyy s ALA 681 Ca -0.03 0.53 -0.33 0.00 0.00 0.00 0.00 51.96 52.13 1pyy s ALA 681 Cb -0.20 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 1pyy s ALA 681 CO -0.03 -1.67 1.51 -2.30 0.00 0.00 0.00 175.76 173.26 1pyy n PRO 682 N -2.96 2.05 -1.49 0.00 -0.02 -1.26 -2.01 135.00 129.31 1pyy n PRO 682 Ca 0.11 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 62.19 1pyy n PRO 682 Cb 0.52 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 1pyy n PRO 682 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pyy n ASN 683 N 2.93 -4.62 -4.74 2.55 3.02 0.25 -4.99 115.26 109.66 1pyy n ASN 683 Ca 0.15 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.60 1pyy n ASN 683 Cb 0.29 -3.38 -0.04 0.00 -0.61 0.00 0.00 39.78 36.04 1pyy n ASN 683 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1pyy s GLN 684 N -3.32 4.63 -0.22 3.52 0.74 -0.85 -4.47 119.66 119.69 1pyy s GLN 684 Ca 0.00 1.69 -0.29 0.00 0.05 0.00 0.00 55.36 56.81 1pyy s GLN 684 Cb 0.00 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.84 1pyy s GLN 684 CO 0.00 0.13 1.05 -0.65 -0.55 0.00 0.00 175.29 175.27 1pyy s GLN 685 N -0.51 4.27 -0.26 1.67 -0.21 -1.25 -0.77 119.66 122.60 1pyy s GLN 685 Ca 0.48 1.38 0.02 0.00 0.02 0.00 0.00 55.36 57.25 1pyy s GLN 685 Cb -0.29 -3.64 0.05 0.00 1.00 0.00 0.00 33.01 30.14 1pyy s GLN 685 CO 0.35 -0.61 -0.09 0.08 -2.12 0.00 0.00 175.29 172.90 1pyy s VAL 686 N 3.11 2.35 0.11 1.09 1.01 -0.53 -4.98 120.40 122.56 1pyy s VAL 686 Ca 0.45 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 1pyy s VAL 686 Cb -0.16 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 1pyy s VAL 686 CO 0.07 0.01 1.19 -0.76 0.00 0.00 0.00 175.10 175.61 1pyy s LEU 687 N 1.15 4.41 -0.32 3.92 1.43 -1.26 -1.38 118.68 126.63 1pyy s LEU 687 Ca -0.07 2.09 0.03 0.00 -1.03 0.00 0.00 54.13 55.15 1pyy s LEU 687 Cb -0.19 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.53 1pyy s LEU 687 CO -0.05 -0.41 0.05 -0.63 0.23 0.00 0.00 176.35 175.54 1pyy s ILE 688 N 0.56 1.88 -0.40 -0.59 1.01 -0.87 -1.37 121.20 121.41 1pyy s ILE 688 Ca 0.56 -2.02 -0.26 0.00 0.00 0.00 0.00 60.65 58.93 1pyy s ILE 688 Cb -0.30 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1pyy s ILE 688 CO 0.32 -0.57 0.96 -0.22 0.00 0.00 0.00 174.94 175.42 1pyy s LEU 689 N 1.12 3.95 0.91 2.97 0.20 -0.12 -0.79 118.68 126.94 1pyy s LEU 689 Ca 0.09 0.46 -0.14 0.00 0.69 0.00 0.00 54.13 55.23 1pyy s LEU 689 Cb -0.19 -3.29 0.15 0.00 -0.43 0.00 0.00 46.19 42.43 1pyy s LEU 689 CO -0.12 -0.96 1.19 -0.94 -0.29 0.00 0.00 176.35 175.23 1pyy s SER 690 N 2.04 3.52 0.00 3.68 1.04 -0.59 0.90 113.70 124.28 1pyy s SER 690 Ca 0.39 0.73 0.09 0.00 0.48 0.00 0.00 55.95 57.64 1pyy s SER 690 Cb -0.11 -1.13 0.56 0.00 0.10 0.00 0.00 66.02 65.44 1pyy s SER 690 CO 0.22 -2.52 1.29 -0.90 0.98 0.00 0.00 173.24 172.31 1pyy n ASP 691 N -3.71 0.00 -3.41 7.02 5.75 0.56 -4.34 116.55 118.41 1pyy n ASP 691 Ca 0.09 -1.54 -0.22 0.00 -0.01 0.00 0.00 54.79 53.11 1pyy n ASP 691 Cb 0.60 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.59 1pyy n ASP 691 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1pyy s LYS 692 N -2.00 0.54 -0.51 0.11 2.20 -1.26 -4.84 119.74 113.98 1pyy s LYS 692 Ca 0.14 -0.96 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1pyy s LYS 692 Cb 0.06 -0.97 0.14 0.00 -1.51 0.00 0.00 37.83 35.55 1pyy s LYS 692 CO 0.11 -1.18 0.28 0.00 -0.36 0.00 0.00 175.35 174.20 1pyy s ALA 693 N 1.42 2.93 -1.37 3.13 0.00 -1.26 0.23 121.76 126.83 1pyy s ALA 693 Ca 0.16 -3.09 0.17 0.00 0.00 0.00 0.00 51.96 49.20 1pyy s ALA 693 Cb -0.18 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1pyy s ALA 693 CO -0.06 -2.04 0.84 0.39 0.00 0.00 0.00 175.76 174.88 1pyy n GLU 694 N 3.13 1.65 -4.40 0.00 1.02 -1.26 -4.98 120.64 115.80 1pyy n GLU 694 Ca 0.08 -0.66 -0.27 0.00 -0.02 0.00 0.00 57.16 56.29 1pyy n GLU 694 Cb 0.34 -1.29 -0.12 0.00 -0.02 0.00 0.00 31.44 30.35 1pyy n GLU 694 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1pyy s GLU 695 N -2.07 1.44 -0.14 3.49 2.02 -1.26 -1.19 118.70 120.98 1pyy s GLU 695 Ca 0.12 -1.44 -0.29 0.00 0.02 0.00 0.00 54.97 53.38 1pyy s GLU 695 Cb 0.13 -1.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.50 1pyy s GLU 695 CO 0.47 0.41 1.77 0.08 0.02 0.00 0.00 175.26 178.01 1pyy s VAL 696 N -1.44 3.46 0.63 2.63 1.01 1.00 -4.78 120.40 122.90 1pyy s VAL 696 Ca 0.17 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 1pyy s VAL 696 Cb -0.09 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1pyy s VAL 696 CO 0.08 -0.15 1.10 -2.16 0.00 0.00 0.00 175.10 173.97 1pyy s PRO 697 N 4.72 3.00 -0.46 2.72 0.04 -1.26 0.16 135.00 143.92 1pyy s PRO 697 Ca 0.79 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 1pyy s PRO 697 Cb -0.31 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1pyy s PRO 697 CO 0.32 -1.09 1.87 0.34 0.04 0.00 0.00 177.00 178.49 1pyy s ASP 698 N -2.57 5.52 -0.10 6.66 -1.08 -1.26 -4.57 116.67 119.27 1pyy s ASP 698 Ca 0.66 0.90 0.15 0.00 -0.52 0.00 0.00 52.55 53.74 1pyy s ASP 698 Cb -0.19 -2.53 0.60 0.00 -1.46 0.00 0.00 42.92 39.34 1pyy s ASP 698 CO 0.39 -2.07 1.48 0.23 0.52 0.00 0.00 175.17 175.72 1pyy n MET 699 N 8.78 3.34 -1.84 4.34 2.81 -1.26 -4.86 117.12 128.41 1pyy n MET 699 Ca 0.23 -2.38 -0.42 0.00 -1.81 0.00 0.00 57.70 53.32 1pyy n MET 699 Cb 0.50 -1.82 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1pyy n MET 699 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1pyy s TYR 700 N -1.85 2.93 0.00 2.03 6.14 -1.26 -1.71 117.35 123.64 1pyy s TYR 700 Ca 0.42 0.64 0.00 0.00 0.64 0.00 0.00 57.07 58.77 1pyy s TYR 700 Cb 0.28 -4.01 0.00 0.00 0.42 0.00 0.00 41.96 38.65 1pyy s TYR 700 CO 0.20 -3.63 0.00 0.41 0.64 0.00 0.00 175.55 173.17 1pyy n GLY 701 N 3.21 1.55 3.77 8.97 0.00 0.16 -4.56 105.19 118.29 1pyy n GLY 701 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1pyy n GLY 701 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pyy s TRP 702 N -2.50 3.22 0.63 1.61 0.52 -0.69 -4.67 118.94 117.06 1pyy s TRP 702 Ca 0.00 1.57 -0.12 0.00 0.02 0.00 0.00 56.10 57.56 1pyy s TRP 702 Cb 0.00 -3.43 -0.03 0.00 -1.15 0.00 0.00 33.47 28.86 1pyy s TRP 702 CO 0.00 -1.20 1.04 0.95 0.02 0.00 0.00 176.95 177.75 1pyy s THR 703 N -1.27 4.36 0.38 2.01 -4.23 -1.26 -0.16 115.64 115.46 1pyy s THR 703 Ca 0.51 0.85 0.10 0.00 -1.18 0.00 0.00 61.69 61.97 1pyy s THR 703 Cb -0.33 -3.64 0.32 0.00 1.34 0.00 0.00 72.50 70.19 1pyy s THR 703 CO 0.43 -0.92 1.91 0.50 -0.54 0.00 0.00 174.62 176.00 1pyy h LYS 704 N -0.21 0.62 -0.06 3.99 3.64 -1.91 -1.76 116.57 120.88 1pyy h LYS 704 Ca -0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1pyy h LYS 704 Cb 1.20 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1pyy h LYS 704 CO 0.60 0.41 0.00 0.93 -2.27 0.00 0.00 179.45 179.12 1pyy h GLU 705 N 0.64 0.10 -0.54 1.90 3.07 -1.91 -1.74 114.58 116.10 1pyy h GLU 705 Ca 0.39 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.25 1pyy h GLU 705 Cb 0.61 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 1pyy h GLU 705 CO -0.15 0.37 0.29 1.15 -1.40 0.00 0.00 179.01 179.27 1pyy h THR 706 N -0.17 0.99 -0.06 1.13 2.02 -1.74 0.07 112.91 115.15 1pyy h THR 706 Ca 0.02 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1pyy h THR 706 Cb 0.32 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1pyy h THR 706 CO 0.00 0.10 0.04 0.00 0.37 0.00 0.00 175.52 176.03 1pyy h ALA 707 N 1.27 0.08 -0.59 6.16 0.00 -1.32 -2.02 119.26 122.84 1pyy h ALA 707 Ca 0.23 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1pyy h ALA 707 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1pyy h ALA 707 CO -0.14 -0.41 0.39 0.93 0.00 0.00 0.00 179.25 180.02 1pyy h GLU 708 N 0.05 0.65 -0.20 0.00 5.08 -0.84 -0.79 114.58 118.53 1pyy h GLU 708 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1pyy h GLU 708 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1pyy h GLU 708 CO -0.00 0.43 0.07 1.15 -1.00 0.00 0.00 179.01 179.66 1pyy h THR 709 N 0.67 1.18 -0.23 1.13 2.02 -0.48 -2.41 112.91 114.79 1pyy h THR 709 Ca 0.24 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1pyy h THR 709 Cb 0.10 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1pyy h THR 709 CO -0.06 0.17 0.12 0.25 0.37 0.00 0.00 175.52 176.37 1pyy h LEU 710 N 0.17 0.30 -1.08 2.58 5.85 -0.75 -2.51 115.31 119.86 1pyy h LEU 710 Ca 0.07 -0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.85 1pyy h LEU 710 Cb 0.20 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1pyy h LEU 710 CO -0.00 0.32 0.62 0.00 -0.34 0.00 0.00 178.44 179.03 1pyy h ALA 711 N 0.99 1.70 0.12 1.25 0.00 -1.07 -0.35 119.26 121.90 1pyy h ALA 711 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1pyy h ALA 711 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pyy h ALA 711 CO -0.01 -0.02 -0.06 -0.22 0.00 0.00 0.00 179.25 178.94 1pyy h LYS 712 N 0.79 -0.16 -0.76 0.00 3.64 -1.16 -0.20 116.57 118.72 1pyy h LYS 712 Ca 0.54 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.97 1pyy h LYS 712 Cb 0.80 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 1pyy h LYS 712 CO -0.31 0.08 0.47 -1.49 -2.27 0.00 0.00 179.45 175.93 1pyy h TRP 713 N -0.38 0.88 -0.55 1.91 6.55 -0.82 -2.84 115.95 120.69 1pyy h TRP 713 Ca -0.02 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1pyy h TRP 713 Cb 0.31 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.33 1pyy h TRP 713 CO -0.00 0.47 0.00 1.28 -1.05 0.00 0.00 178.44 179.14 1pyy n LEU 714 N -4.66 3.33 -3.69 -4.49 4.77 -0.25 -4.97 117.00 107.04 1pyy n LEU 714 Ca 0.09 -1.60 -0.23 0.00 -0.03 0.00 0.00 56.01 54.25 1pyy n LEU 714 Cb 0.13 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1pyy n LEU 714 CO 0.32 0.80 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.90 1pyy n ASN 715 N 1.34 -2.08 -4.41 -1.43 5.15 -0.25 -4.99 115.26 108.58 1pyy n ASN 715 Ca 0.21 -0.86 -0.32 0.00 -0.60 0.00 0.00 54.58 53.01 1pyy n ASN 715 Cb 0.54 -3.93 -0.14 0.00 -0.53 0.00 0.00 39.78 35.73 1pyy n ASN 715 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pyy s ILE 716 N -3.65 2.64 -0.09 -1.44 1.01 -0.25 -5.03 121.20 114.38 1pyy s ILE 716 Ca 0.11 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 1pyy s ILE 716 Cb -0.03 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1pyy s ILE 716 CO 0.82 0.54 0.44 -0.70 0.00 0.00 0.00 174.94 176.04 1pyy s GLU 717 N -0.82 4.24 0.10 2.79 2.12 -0.53 -4.55 118.70 122.05 1pyy s GLU 717 Ca 0.11 0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.90 1pyy s GLU 717 Cb -0.10 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1pyy s GLU 717 CO 0.01 0.30 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.45 1pyy s LEU 718 N 0.19 3.20 -0.05 2.70 1.43 -1.26 -0.82 118.68 124.08 1pyy s LEU 718 Ca 0.24 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1pyy s LEU 718 Cb -0.15 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1pyy s LEU 718 CO 0.10 0.18 0.00 -0.70 0.23 0.00 0.00 176.35 176.17 1pyy s GLU 719 N -2.22 0.42 0.01 1.70 2.12 -0.68 -4.95 118.70 115.09 1pyy s GLU 719 Ca 0.23 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1pyy s GLU 719 Cb -0.11 -0.70 -0.04 0.00 0.26 0.00 0.00 34.13 33.54 1pyy s GLU 719 CO 0.15 -0.22 0.03 -0.06 -0.54 0.00 0.00 175.26 174.63 1pyy s PHE 720 N 1.53 3.15 0.02 5.30 0.40 -1.26 -0.14 117.98 126.97 1pyy s PHE 720 Ca -0.02 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 1pyy s PHE 720 Cb -0.13 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 1pyy s PHE 720 CO -0.03 0.50 -0.03 1.14 0.70 0.00 0.00 175.22 177.50 1pyy s GLN 721 N -1.74 0.25 0.29 0.44 -2.07 -0.74 -4.96 119.66 111.14 1pyy s GLN 721 Ca 0.22 -0.43 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 1pyy s GLN 721 Cb -0.12 0.00 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 1pyy s GLN 721 CO 0.13 -0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.49 1pyy n GLY 722 N 2.09 -2.84 3.70 2.60 0.00 -1.26 -2.08 105.19 107.40 1pyy n GLY 722 Ca -0.20 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1pyy n GLY 722 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pyy s SER 723 N -5.71 4.11 0.00 1.61 0.15 -1.26 -4.30 113.70 108.30 1pyy s SER 723 Ca 0.00 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.27 1pyy s SER 723 Cb 0.00 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1pyy s SER 723 CO 0.00 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1pyy n GLY 724 N -1.16 4.56 0.02 9.45 0.00 -1.26 -4.18 105.19 112.61 1pyy n GLY 724 Ca -0.08 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.73 1pyy n GLY 724 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pyy n SER 725 N 0.00 0.45 -4.09 1.61 3.41 -1.07 -4.52 113.62 109.40 1pyy n SER 725 Ca 0.00 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.47 1pyy n SER 725 Cb 0.00 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.90 1pyy n SER 725 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pyy s THR 726 N -3.04 0.59 0.07 6.66 -4.23 -1.14 -3.53 115.64 111.03 1pyy s THR 726 Ca 0.11 -1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 58.97 1pyy s THR 726 Cb 0.17 -0.93 -0.06 0.00 1.34 0.00 0.00 72.50 73.01 1pyy s THR 726 CO 0.67 -0.53 1.29 -0.69 -0.54 0.00 0.00 174.62 174.82 1pyy s VAL 727 N -2.05 3.72 -0.09 2.29 1.01 0.78 -0.40 120.40 125.66 1pyy s VAL 727 Ca -0.03 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.20 1pyy s VAL 727 Cb -0.05 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1pyy s VAL 727 CO -0.01 0.09 0.10 0.00 0.00 0.00 0.00 175.10 175.27 1pyy n GLN 728 N 4.08 3.81 -3.60 2.72 1.13 0.16 -0.66 117.38 125.01 1pyy n GLN 728 Ca 0.10 -0.01 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 1pyy n GLN 728 Cb 0.44 -0.80 -0.07 0.00 0.11 0.00 0.00 30.24 29.93 1pyy n GLN 728 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1pyy s LYS 729 N -1.62 0.91 -0.01 -1.09 2.20 -1.14 -4.98 119.74 114.01 1pyy s LYS 729 Ca 0.00 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1pyy s LYS 729 Cb 0.02 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 1pyy s LYS 729 CO 0.12 -0.25 0.00 1.14 -0.36 0.00 0.00 175.35 176.00 1pyy s GLN 730 N -0.96 0.13 0.09 4.03 -2.07 -1.26 -0.72 119.66 118.89 1pyy s GLN 730 Ca -0.10 0.04 0.26 0.00 -1.82 0.00 0.00 55.36 53.74 1pyy s GLN 730 Cb -0.02 -0.24 0.99 0.00 -1.09 0.00 0.00 33.01 32.65 1pyy s GLN 730 CO 0.07 -0.06 1.80 -0.40 -1.32 0.00 0.00 175.29 175.38 1pyy n ASP 731 N 3.61 0.32 -4.31 12.60 5.75 -0.77 -4.54 116.55 129.20 1pyy n ASP 731 Ca -0.20 0.54 -0.35 0.00 -0.01 0.00 0.00 54.79 54.77 1pyy n ASP 731 Cb 0.55 -0.62 -0.14 0.00 -1.03 0.00 0.00 41.12 39.88 1pyy n ASP 731 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pyy s VAL 732 N -3.06 3.38 0.44 2.12 1.01 -1.26 -4.96 120.40 118.07 1pyy s VAL 732 Ca 0.11 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1pyy s VAL 732 Cb 0.15 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 1pyy s VAL 732 CO 0.50 0.42 1.44 -1.14 0.00 0.00 0.00 175.10 176.32 1pyy n ARG 733 N 4.76 2.28 -1.65 2.72 0.63 -1.26 -4.95 116.66 119.19 1pyy n ARG 733 Ca -0.18 0.81 -0.36 0.00 -0.92 0.00 0.00 57.85 57.20 1pyy n ARG 733 Cb 0.51 -2.63 0.07 0.00 0.45 0.00 0.00 32.46 30.86 1pyy n ARG 733 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pyy s ALA 734 N -1.19 2.28 0.00 5.13 0.00 -1.26 -2.50 121.76 124.22 1pyy s ALA 734 Ca 0.61 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1pyy s ALA 734 Cb -0.45 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1pyy s ALA 734 CO 0.58 -1.66 0.00 0.09 0.00 0.00 0.00 175.76 174.77 1pyy n ASN 735 N -2.21 0.00 -4.77 0.00 3.02 0.12 -4.94 115.26 106.48 1pyy n ASN 735 Ca 0.15 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 1pyy n ASN 735 Cb 0.49 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.61 1pyy n ASN 735 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1pyy s THR 736 N -3.23 2.49 0.02 3.41 2.01 -1.04 -4.59 115.64 114.70 1pyy s THR 736 Ca 0.00 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1pyy s THR 736 Cb 0.00 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.15 1pyy s THR 736 CO 0.00 0.10 1.57 0.00 -0.69 0.00 0.00 174.62 175.60 1pyy s ALA 737 N -1.18 3.64 0.44 7.40 0.00 -1.26 -0.00 121.76 130.80 1pyy s ALA 737 Ca 0.53 1.04 0.21 0.00 0.00 0.00 0.00 51.96 53.74 1pyy s ALA 737 Cb -0.41 -3.68 1.18 0.00 0.00 0.00 0.00 23.12 20.21 1pyy s ALA 737 CO 0.54 -1.11 1.83 0.82 0.00 0.00 0.00 175.76 177.84 1pyy h ILE 738 N 5.02 0.60 0.00 0.00 2.04 -1.46 0.18 117.51 123.89 1pyy h ILE 738 Ca -0.40 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1pyy h ILE 738 Cb 1.19 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1pyy h ILE 738 CO 0.93 0.06 -0.14 0.11 0.00 0.00 0.00 178.15 179.10 1pyy h LYS 739 N 0.32 0.00 0.00 2.37 1.57 -1.90 -2.88 116.57 116.05 1pyy h LYS 739 Ca 0.50 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.21 1pyy h LYS 739 Cb 1.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1pyy h LYS 739 CO -0.17 0.14 -0.37 -0.44 -0.57 0.00 0.00 179.45 178.04 1pyy h ASP 740 N 0.00 0.00 -2.20 0.86 3.32 -1.01 -3.46 116.42 113.93 1pyy h ASP 740 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1pyy h ASP 740 Cb 0.35 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.77 1pyy h ASP 740 CO 0.02 0.37 -0.60 0.27 -1.72 0.00 0.00 179.24 177.58 1pyy s ILE 741 N -3.53 1.70 0.00 0.35 -5.25 -1.09 -5.05 121.20 108.33 1pyy s ILE 741 Ca 0.01 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.67 1pyy s ILE 741 Cb 0.10 -2.91 0.00 0.00 2.95 0.00 0.00 42.46 42.60 1pyy s ILE 741 CO 0.69 0.00 0.00 0.29 -1.79 0.00 0.00 174.94 174.13 1pyy n LYS 742 N -0.88 1.77 -4.41 0.37 5.02 -1.26 -4.94 118.16 113.84 1pyy n LYS 742 Ca -0.04 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 1pyy n LYS 742 Cb 0.67 -0.73 -0.16 0.00 -0.02 0.00 0.00 35.03 34.79 1pyy n LYS 742 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1pyy s LYS 743 N -1.47 1.13 -0.09 1.97 2.20 -1.26 -1.46 119.74 120.77 1pyy s LYS 743 Ca 0.00 -0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1pyy s LYS 743 Cb 0.00 -1.02 -0.00 0.00 -1.51 0.00 0.00 37.83 35.29 1pyy s LYS 743 CO 0.00 0.06 -0.24 0.42 -0.36 0.00 0.00 175.35 175.23 1pyy s ILE 744 N 0.44 2.00 -0.26 5.43 1.01 0.00 -4.89 121.20 124.93 1pyy s ILE 744 Ca -0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.47 1pyy s ILE 744 Cb -0.12 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1pyy s ILE 744 CO 0.01 0.55 0.16 -0.89 0.00 0.00 0.00 174.94 174.78 1pyy s THR 745 N 0.21 5.18 -0.07 2.92 2.01 -1.26 -1.69 115.64 122.93 1pyy s THR 745 Ca -0.14 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 1pyy s THR 745 Cb -0.17 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1pyy s THR 745 CO 0.07 0.29 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.52 1pyy s LEU 746 N 1.54 3.51 -0.24 4.42 1.43 0.80 -1.85 118.68 128.29 1pyy s LEU 746 Ca 0.07 0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1pyy s LEU 746 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1pyy s LEU 746 CO 0.08 0.37 0.05 -0.89 0.23 0.00 0.00 176.35 176.19 1pyy s THR 747 N -0.89 4.17 0.19 5.49 2.01 0.10 -1.78 115.64 124.92 1pyy s THR 747 Ca 0.14 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.72 1pyy s THR 747 Cb -0.11 -2.94 -0.08 0.00 0.01 0.00 0.00 72.50 69.38 1pyy s THR 747 CO 0.03 0.35 0.69 -0.76 -0.69 0.00 0.00 174.62 174.24 1pyy s LEU 748 N 1.59 4.39 0.11 4.42 1.43 -0.88 0.38 118.68 130.12 1pyy s LEU 748 Ca 0.06 1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 54.49 1pyy s LEU 748 Cb -0.15 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 1pyy s LEU 748 CO 0.03 0.09 0.11 -0.83 0.23 0.00 0.00 176.35 175.98 1pyy s GLY 749 N -1.55 0.52 0.00 -3.19 0.00 0.46 -4.21 107.32 99.36 1pyy s GLY 749 Ca 0.40 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1pyy s GLY 749 CO 0.21 -1.10 0.00 1.22 0.00 0.00 0.00 173.10 173.43