#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ius s LYS 2 N 0.00 0.46 0.30 2.12 2.20 -1.26 -0.96 119.74 122.61 1ius s LYS 2 Ca 0.00 -0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 54.73 1ius s LYS 2 Cb 0.00 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1ius s LYS 2 CO 0.00 -0.09 0.50 -2.37 -0.36 0.00 0.00 175.35 173.03 1ius n THR 3 N 0.95 0.00 -0.12 3.43 5.66 -0.43 -4.93 114.28 118.84 1ius n THR 3 Ca -0.20 -1.24 -0.25 0.00 -3.05 0.00 0.00 64.05 59.32 1ius n THR 3 Cb 0.58 0.88 -0.10 0.00 -1.55 0.00 0.00 70.33 70.13 1ius n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ius n GLN 4 N -0.47 0.57 -4.04 1.09 6.02 -1.19 -4.10 117.38 115.26 1ius n GLN 4 Ca -0.02 0.40 -0.31 0.00 -0.01 0.00 0.00 57.00 57.06 1ius n GLN 4 Cb 0.49 -1.61 -0.16 0.00 1.02 0.00 0.00 30.24 29.98 1ius n GLN 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ius s VAL 5 N -2.45 1.68 -0.05 5.09 1.01 -0.90 -0.63 120.40 124.15 1ius s VAL 5 Ca -0.33 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 1ius s VAL 5 Cb 0.10 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1ius s VAL 5 CO 0.52 0.47 0.55 0.00 0.00 0.00 0.00 175.10 176.64 1ius s ALA 6 N 1.44 3.49 -0.21 5.51 0.00 -0.30 -1.79 121.76 129.90 1ius s ALA 6 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1ius s ALA 6 Cb -0.13 -2.69 0.03 0.00 0.00 0.00 0.00 23.12 20.33 1ius s ALA 6 CO -0.11 0.12 -0.15 0.42 0.00 0.00 0.00 175.76 176.04 1ius s ILE 7 N 0.07 2.29 -0.37 0.00 1.01 0.11 -0.95 121.20 123.37 1ius s ILE 7 Ca 0.29 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 1ius s ILE 7 Cb -0.17 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1ius s ILE 7 CO 0.15 0.37 0.56 -0.63 0.00 0.00 0.00 174.94 175.38 1ius s ILE 8 N 1.27 4.96 0.00 2.92 -1.09 -0.81 0.08 121.20 128.54 1ius s ILE 8 Ca 0.02 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1ius s ILE 8 Cb -0.15 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1ius s ILE 8 CO -0.09 -0.30 0.00 0.61 -1.23 0.00 0.00 174.94 173.92 1ius n GLY 9 N 4.81 2.40 2.06 6.18 0.00 0.25 -0.81 105.19 120.07 1ius n GLY 9 Ca -0.04 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 1ius n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ius n ALA 10 N 1.84 5.50 -1.65 4.61 0.00 -1.26 -3.82 120.51 125.73 1ius n ALA 10 Ca 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.87 1ius n ALA 10 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1ius n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ius n GLY 11 N -0.85 0.00 0.36 0.00 0.00 -1.26 -4.72 105.19 98.72 1ius n GLY 11 Ca 0.51 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.80 1ius n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ius h PRO 12 N 0.00 0.71 0.95 1.61 0.13 -1.94 -2.30 132.00 131.17 1ius h PRO 12 Ca 0.00 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1ius h PRO 12 Cb 0.00 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 30.98 1ius h PRO 12 CO 0.00 0.47 -0.46 0.77 -0.23 0.00 0.00 178.00 178.55 1ius h SER 13 N 0.73 -1.09 -0.98 1.44 0.02 -1.91 -0.86 113.55 110.90 1ius h SER 13 Ca 0.38 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.40 1ius h SER 13 Cb 0.48 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 1ius h SER 13 CO -0.15 -0.77 0.64 1.23 -1.14 0.00 0.00 176.83 176.65 1ius h GLY 14 N -1.30 1.43 0.83 -3.77 0.00 -1.62 -1.52 103.07 97.12 1ius h GLY 14 Ca -0.13 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 1ius h GLY 14 CO 0.22 0.42 -0.17 1.41 0.00 0.00 0.00 176.54 178.41 1ius h LEU 15 N 1.24 0.52 -0.32 3.11 3.38 -1.40 -0.57 115.31 121.26 1ius h LEU 15 Ca 0.39 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ius h LEU 15 Cb 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ius h LEU 15 CO -0.12 0.86 0.19 0.25 0.09 0.00 0.00 178.44 179.71 1ius h LEU 16 N 0.18 0.38 -0.73 1.67 5.85 -0.99 0.09 115.31 121.76 1ius h LEU 16 Ca 0.04 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1ius h LEU 16 Cb 0.70 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1ius h LEU 16 CO 0.04 0.33 0.30 0.25 -0.34 0.00 0.00 178.44 179.03 1ius h LEU 17 N 0.40 0.99 -0.73 2.25 5.85 -1.27 -0.09 115.31 122.71 1ius h LEU 17 Ca 0.11 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1ius h LEU 17 Cb 0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1ius h LEU 17 CO -0.02 0.89 0.30 1.23 -0.34 0.00 0.00 178.44 180.49 1ius h GLY 18 N 1.04 1.17 0.70 3.75 0.00 -0.70 -0.28 103.07 108.75 1ius h GLY 18 Ca 0.24 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1ius h GLY 18 CO -0.02 0.60 -0.02 -1.61 0.00 0.00 0.00 176.54 175.48 1ius h GLN 19 N 1.05 0.16 -0.27 4.80 5.75 -0.61 -0.64 115.11 125.35 1ius h GLN 19 Ca 0.24 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1ius h GLN 19 Cb 0.20 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 1ius h GLN 19 CO -0.02 0.48 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.56 1ius h LEU 20 N -0.18 -0.13 -0.97 -2.39 3.38 -0.88 -2.07 115.31 112.07 1ius h LEU 20 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ius h LEU 20 Cb 0.42 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1ius h LEU 20 CO 0.01 -0.03 0.61 -0.07 0.09 0.00 0.00 178.44 179.05 1ius h LEU 21 N 0.07 1.14 0.24 1.67 3.38 -0.94 -2.89 115.31 117.97 1ius h LEU 21 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ius h LEU 21 Cb 0.17 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ius h LEU 21 CO -0.22 0.85 -0.11 -0.74 0.09 0.00 0.00 178.44 178.30 1ius h HIS 22 N 1.33 -0.29 -0.06 1.13 2.76 -0.73 -1.09 115.15 118.18 1ius h HIS 22 Ca 0.35 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.53 1ius h HIS 22 Cb -0.10 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 1ius h HIS 22 CO 0.00 -0.10 0.31 0.87 -1.30 0.00 0.00 177.93 177.71 1ius h LYS 23 N -0.42 0.00 -0.39 5.26 1.57 -1.17 0.32 116.57 121.73 1ius h LYS 23 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ius h LYS 23 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ius h LYS 23 CO 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1ius n ALA 24 N -1.99 2.40 -0.55 3.86 0.00 -1.02 -4.97 120.51 118.24 1ius n ALA 24 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1ius n ALA 24 Cb 0.38 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1ius n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ius n GLY 25 N 1.36 0.74 3.46 0.00 0.00 0.10 -5.04 105.19 105.82 1ius n GLY 25 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1ius n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ius s ILE 26 N -2.34 5.12 0.53 -0.61 1.01 -0.44 -5.01 121.20 119.45 1ius s ILE 26 Ca 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 1ius s ILE 26 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1ius s ILE 26 CO 0.00 -0.46 1.34 -1.81 0.00 0.00 0.00 174.94 174.01 1ius s ASP 27 N 1.98 5.37 -0.03 3.58 1.01 -1.26 -3.83 116.67 123.49 1ius s ASP 27 Ca 0.10 2.73 -0.23 0.00 0.71 0.00 0.00 52.55 55.86 1ius s ASP 27 Cb -0.19 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.16 1ius s ASP 27 CO 0.12 -1.50 0.49 0.54 0.21 0.00 0.00 175.17 175.03 1ius s ASN 28 N -0.97 -0.42 -0.07 0.27 2.20 -1.26 -2.11 114.94 112.58 1ius s ASN 28 Ca 0.70 0.39 0.03 0.00 -0.94 0.00 0.00 52.86 53.04 1ius s ASN 28 Cb -0.40 0.42 0.01 0.00 -2.00 0.00 0.00 41.25 39.28 1ius s ASN 28 CO 0.47 -0.53 -0.17 -0.69 -2.94 0.00 0.00 177.10 173.24 1ius s VAL 29 N -1.29 1.49 -0.15 3.54 1.01 -0.74 -4.38 120.40 119.88 1ius s VAL 29 Ca -0.12 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1ius s VAL 29 Cb -0.03 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1ius s VAL 29 CO 0.07 0.43 0.13 -0.63 0.00 0.00 0.00 175.10 175.10 1ius s ILE 30 N 0.45 5.38 -0.16 2.22 1.01 -1.09 0.09 121.20 129.11 1ius s ILE 30 Ca -0.14 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.68 1ius s ILE 30 Cb -0.16 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1ius s ILE 30 CO 0.05 0.55 -0.14 -0.76 0.00 0.00 0.00 174.94 174.64 1ius s LEU 31 N -0.47 2.52 -0.04 2.97 1.43 0.11 -0.95 118.68 124.25 1ius s LEU 31 Ca 0.12 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1ius s LEU 31 Cb -0.12 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1ius s LEU 31 CO 0.02 0.08 -0.13 -0.70 0.23 0.00 0.00 176.35 175.86 1ius s GLU 32 N 0.82 1.43 0.13 1.70 2.56 -0.35 0.87 118.70 125.85 1ius s GLU 32 Ca -0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 54.97 54.36 1ius s GLU 32 Cb -0.15 -1.25 -0.04 0.00 2.00 0.00 0.00 34.13 34.68 1ius s GLU 32 CO -0.00 0.13 1.49 -0.09 -0.56 0.00 0.00 175.26 176.23 1ius h ARG 33 N 6.50 0.82 0.00 4.30 2.43 -1.86 0.23 114.38 126.81 1ius h ARG 33 Ca -0.33 -0.37 -0.15 0.00 -0.81 0.00 0.00 59.98 58.32 1ius h ARG 33 Cb 1.18 -0.01 0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1ius h ARG 33 CO 0.48 1.00 0.08 1.04 -1.51 0.00 0.00 179.97 181.06 1ius n GLN 34 N -4.23 0.05 -3.72 0.20 1.13 -1.26 -3.33 117.38 106.21 1ius n GLN 34 Ca -0.02 -0.79 -0.23 0.00 -1.94 0.00 0.00 57.00 54.02 1ius n GLN 34 Cb 0.44 -0.31 -0.02 0.00 0.11 0.00 0.00 30.24 30.46 1ius n GLN 34 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1ius s THR 35 N -1.30 5.20 0.43 5.09 -4.23 -1.26 -1.79 115.64 117.78 1ius s THR 35 Ca 0.23 -0.72 0.14 0.00 -1.18 0.00 0.00 61.69 60.15 1ius s THR 35 Cb -0.01 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.31 1ius s THR 35 CO 0.15 -0.39 1.99 -0.65 -0.54 0.00 0.00 174.62 175.18 1ius h PRO 36 N 1.12 0.40 -0.20 3.99 0.11 -1.99 -1.85 132.00 133.58 1ius h PRO 36 Ca -0.51 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 1ius h PRO 36 Cb 1.22 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ius h PRO 36 CO 0.62 0.26 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.99 1ius h ASP 37 N 0.41 0.56 -0.32 -2.05 3.32 -1.98 -2.13 116.42 114.23 1ius h ASP 37 Ca 0.27 -0.49 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1ius h ASP 37 Cb 0.51 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1ius h ASP 37 CO -0.07 0.94 0.20 0.22 -1.72 0.00 0.00 179.24 178.81 1ius h TYR 38 N 0.19 0.38 -0.80 4.55 5.03 -1.76 -1.65 116.97 122.91 1ius h TYR 38 Ca 0.03 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.40 1ius h TYR 38 Cb 0.80 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.90 1ius h TYR 38 CO 0.08 0.23 0.49 0.28 -1.32 0.00 0.00 178.16 177.93 1ius h VAL 39 N 0.41 1.06 0.00 1.81 2.07 -1.35 -0.04 116.25 120.22 1ius h VAL 39 Ca 0.12 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ius h VAL 39 Cb -0.03 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1ius h VAL 39 CO -0.04 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.90 1ius n LEU 40 N -4.64 0.06 0.22 2.57 4.32 -0.79 -2.98 117.00 115.75 1ius n LEU 40 Ca 0.10 0.51 0.11 0.00 -0.02 0.00 0.00 56.01 56.71 1ius n LEU 40 Cb 0.14 -0.50 0.28 0.00 -1.62 0.00 0.00 43.42 41.72 1ius n LEU 40 CO 0.32 -0.25 0.78 1.23 -1.22 0.00 0.00 177.39 178.25 1ius h GLY 41 N 2.77 0.00 -4.83 -0.72 0.00 -0.10 -3.45 103.07 96.74 1ius h GLY 41 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1ius h GLY 41 CO 0.00 0.00 0.80 0.50 0.00 0.00 0.00 176.54 177.84 1ius s ARG 42 N -3.31 4.30 -0.09 4.80 0.52 -1.16 -4.95 118.95 119.06 1ius s ARG 42 Ca 0.04 1.92 -0.01 0.00 -0.52 0.00 0.00 55.73 57.16 1ius s ARG 42 Cb 0.07 -3.55 -0.00 0.00 0.52 0.00 0.00 34.95 31.98 1ius s ARG 42 CO 0.66 -0.54 -0.02 0.82 0.02 0.00 0.00 175.30 176.23 1ius h ILE 43 N 4.90 0.00 0.00 1.52 1.08 -1.92 -3.39 117.51 119.70 1ius h ILE 43 Ca -0.37 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1ius h ILE 43 Cb 1.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1ius h ILE 43 CO 0.90 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.90 1ius n ARG 44 N -4.23 0.00 -1.62 2.37 1.74 -1.26 -4.06 116.66 109.60 1ius n ARG 44 Ca -0.01 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.69 1ius n ARG 44 Cb 0.03 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.52 1ius n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ius n ALA 45 N 8.83 0.22 0.00 7.54 0.00 -1.26 -4.81 120.51 131.03 1ius n ALA 45 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ius n ALA 45 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1ius n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ius n GLY 46 N 1.27 0.21 3.41 0.00 0.00 -1.26 -0.71 105.19 108.10 1ius n GLY 46 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1ius n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ius s VAL 47 N -0.60 3.63 -0.05 1.61 1.01 -1.26 -1.13 120.40 123.61 1ius s VAL 47 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1ius s VAL 47 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1ius s VAL 47 CO 0.00 0.46 -0.19 -0.76 0.00 0.00 0.00 175.10 174.61 1ius s LEU 48 N 0.88 2.44 0.69 3.92 1.43 0.17 -4.84 118.68 123.36 1ius s LEU 48 Ca -0.01 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1ius s LEU 48 Cb -0.15 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1ius s LEU 48 CO 0.01 0.31 1.06 -1.61 0.23 0.00 0.00 176.35 176.36 1ius s GLU 49 N -0.54 3.03 0.20 1.70 2.02 -1.26 -0.58 118.70 123.26 1ius s GLU 49 Ca 0.07 0.70 -0.11 0.00 0.02 0.00 0.00 54.97 55.66 1ius s GLU 49 Cb -0.11 -2.02 0.21 0.00 0.10 0.00 0.00 34.13 32.31 1ius s GLU 49 CO 0.01 -0.97 1.77 0.37 0.02 0.00 0.00 175.26 176.46 1ius h GLN 50 N -0.61 0.47 -0.11 1.61 5.75 -1.68 -0.91 115.11 119.62 1ius h GLN 50 Ca -0.45 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1ius h GLN 50 Cb 1.22 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 1ius h GLN 50 CO 0.61 0.31 0.07 0.78 -2.65 0.00 0.00 178.83 177.94 1ius h GLY 51 N 0.48 0.16 1.66 2.39 0.00 -1.93 -1.66 103.07 104.17 1ius h GLY 51 Ca 0.27 -0.06 -0.23 0.00 0.00 0.00 0.00 47.33 47.30 1ius h GLY 51 CO -0.22 0.06 -1.03 1.98 0.00 0.00 0.00 176.54 177.32 1ius h MET 52 N 0.15 0.29 -0.85 4.80 1.85 -1.56 -2.40 114.93 117.22 1ius h MET 52 Ca 0.04 -0.37 -0.00 0.00 -0.61 0.00 0.00 59.70 58.75 1ius h MET 52 Cb -0.00 0.12 -0.04 0.00 0.43 0.00 0.00 31.60 32.11 1ius h MET 52 CO -0.01 1.10 0.51 0.28 -0.40 0.00 0.00 176.91 178.39 1ius h VAL 53 N 0.13 1.23 -0.17 -5.77 2.07 -0.76 -1.03 116.25 111.96 1ius h VAL 53 Ca -0.09 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 1ius h VAL 53 Cb 1.70 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1ius h VAL 53 CO 0.17 0.25 -0.42 0.44 0.02 0.00 0.00 177.57 178.03 1ius h ASP 54 N 1.16 0.41 -0.23 0.57 3.32 -1.27 -2.01 116.42 118.37 1ius h ASP 54 Ca 0.30 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1ius h ASP 54 Cb -0.05 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1ius h ASP 54 CO -0.06 0.78 -0.35 0.25 -1.72 0.00 0.00 179.24 178.15 1ius h LEU 55 N 0.32 0.79 -0.81 1.55 5.85 -0.99 -0.33 115.31 121.69 1ius h LEU 55 Ca 0.03 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1ius h LEU 55 Cb 0.87 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1ius h LEU 55 CO 0.07 1.06 0.33 -0.07 -0.34 0.00 0.00 178.44 179.49 1ius h LEU 56 N 0.62 1.11 -0.50 2.25 4.07 -0.91 -0.69 115.31 121.27 1ius h LEU 56 Ca 0.06 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 1ius h LEU 56 Cb 0.88 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 1ius h LEU 56 CO 0.08 0.98 0.14 -0.09 -1.08 0.00 0.00 178.44 178.46 1ius h ARG 57 N 1.18 0.78 -0.14 1.13 2.43 -1.04 -1.41 114.38 117.32 1ius h ARG 57 Ca 0.27 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1ius h ARG 57 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1ius h ARG 57 CO -0.02 0.75 -0.08 1.49 -1.51 0.00 0.00 179.97 180.59 1ius h GLU 58 N 0.68 0.21 -0.02 0.20 4.81 -0.57 0.66 114.58 120.55 1ius h GLU 58 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1ius h GLU 58 Cb 0.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ius h GLU 58 CO -0.00 0.31 0.00 0.00 -0.73 0.00 0.00 179.01 178.58 1ius n ALA 59 N -2.50 2.63 -2.36 2.92 0.00 -0.31 -4.90 120.51 115.99 1ius n ALA 59 Ca -0.01 -0.30 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 1ius n ALA 59 Cb 0.22 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1ius n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ius n GLY 60 N 1.04 -0.36 2.49 0.00 0.00 0.22 -4.90 105.19 103.69 1ius n GLY 60 Ca 0.21 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1ius n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ius n VAL 61 N -4.03 2.14 -0.09 1.61 0.24 -0.59 -4.77 118.33 112.83 1ius n VAL 61 Ca -0.21 -4.57 0.01 0.00 -2.04 0.00 0.00 64.34 57.54 1ius n VAL 61 Cb 0.66 -0.91 0.02 0.00 -1.47 0.00 0.00 33.84 32.14 1ius n VAL 61 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ius n ASP 62 N -0.42 2.08 0.34 -1.34 5.75 -1.25 -4.78 116.55 116.92 1ius n ASP 62 Ca 0.34 -2.08 -0.13 0.00 -0.01 0.00 0.00 54.79 52.90 1ius n ASP 62 Cb 0.70 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.69 1ius n ASP 62 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1ius h ARG 63 N 0.11 -0.82 -0.81 0.11 2.43 -1.95 -0.70 114.38 112.75 1ius h ARG 63 Ca 0.00 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1ius h ARG 63 Cb 0.55 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 1ius h ARG 63 CO 0.00 -0.55 0.53 0.00 -1.51 0.00 0.00 179.97 178.44 1ius h ARG 64 N -0.86 0.93 -0.40 0.20 3.08 -2.00 -2.08 114.38 113.25 1ius h ARG 64 Ca -0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1ius h ARG 64 Cb 0.66 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1ius h ARG 64 CO 0.14 0.61 0.17 1.98 -1.07 0.00 0.00 179.97 181.81 1ius h MET 65 N 0.95 0.59 0.00 0.04 4.05 -1.84 0.72 114.93 119.44 1ius h MET 65 Ca 0.33 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 1ius h MET 65 Cb 0.12 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1ius h MET 65 CO -0.11 0.54 -0.07 0.00 0.23 0.00 0.00 176.91 177.50 1ius h ALA 66 N 1.02 1.57 0.00 0.39 0.00 -0.44 0.11 119.26 121.90 1ius h ALA 66 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ius h ALA 66 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ius h ALA 66 CO -0.01 0.09 -0.37 -0.09 0.00 0.00 0.00 179.25 178.87 1ius h ARG 67 N 0.00 0.00 0.00 0.00 2.43 -1.00 -3.42 114.38 112.39 1ius h ARG 67 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1ius h ARG 67 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1ius h ARG 67 CO 0.01 0.65 -1.53 -0.25 -1.51 0.00 0.00 179.97 177.34 1ius n ASP 68 N -4.61 0.48 -4.77 -3.80 8.00 0.20 -4.97 116.55 107.08 1ius n ASP 68 Ca -0.13 0.19 -0.38 0.00 0.71 0.00 0.00 54.79 55.18 1ius n ASP 68 Cb 0.39 1.02 -0.01 0.00 -0.02 0.00 0.00 41.12 42.51 1ius n ASP 68 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ius s GLY 69 N -4.56 2.87 -0.24 0.44 0.00 0.36 -4.97 107.32 101.22 1ius s GLY 69 Ca -0.04 1.07 -0.10 0.00 0.00 0.00 0.00 44.72 45.65 1ius s GLY 69 CO 0.84 1.60 0.13 1.08 0.00 0.00 0.00 173.10 176.75 1ius s LEU 70 N -2.66 3.93 -0.02 0.66 2.01 -0.66 -4.94 118.68 117.00 1ius s LEU 70 Ca 0.59 0.02 -0.22 0.00 0.01 0.00 0.00 54.13 54.54 1ius s LEU 70 Cb -0.33 -2.05 -0.05 0.00 0.01 0.00 0.00 46.19 43.77 1ius s LEU 70 CO 0.42 0.04 0.66 -0.69 1.01 0.00 0.00 176.35 177.78 1ius s VAL 71 N 1.19 4.94 -0.07 -1.59 1.01 -1.26 -0.57 120.40 124.04 1ius s VAL 71 Ca 0.06 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.45 1ius s VAL 71 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1ius s VAL 71 CO 0.05 0.35 -0.18 -1.00 0.00 0.00 0.00 175.10 174.31 1ius s HIS 72 N 0.23 2.62 -1.15 5.22 3.76 0.33 -4.97 115.29 121.33 1ius s HIS 72 Ca 0.34 -0.51 0.15 0.00 -0.15 0.00 0.00 55.06 54.89 1ius s HIS 72 Cb -0.18 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.78 1ius s HIS 72 CO 0.18 -0.08 0.75 0.39 -0.85 0.00 0.00 174.74 175.13 1ius n GLU 73 N 2.87 1.94 -4.05 1.40 1.02 -1.26 -2.43 120.64 120.13 1ius n GLU 73 Ca -0.17 -0.52 -0.12 0.00 -0.02 0.00 0.00 57.16 56.32 1ius n GLU 73 Cb 0.52 -1.22 -0.05 0.00 -0.02 0.00 0.00 31.44 30.68 1ius n GLU 73 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ius s GLY 74 N -1.97 1.01 -0.05 0.62 0.00 -1.26 -0.56 107.32 105.11 1ius s GLY 74 Ca 0.10 -1.22 -0.26 0.00 0.00 0.00 0.00 44.72 43.35 1ius s GLY 74 CO 0.44 -0.84 0.57 0.54 0.00 0.00 0.00 173.10 173.81 1ius s VAL 75 N -3.55 0.02 0.10 1.40 0.11 -1.14 -4.59 120.40 112.75 1ius s VAL 75 Ca 0.27 -0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.25 1ius s VAL 75 Cb -0.00 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1ius s VAL 75 CO 0.14 -0.08 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.09 1ius s GLU 76 N -1.15 2.04 -0.16 1.54 2.02 0.66 -1.71 118.70 121.94 1ius s GLU 76 Ca -0.11 -1.05 -0.00 0.00 0.02 0.00 0.00 54.97 53.82 1ius s GLU 76 Cb -0.02 -2.25 0.04 0.00 0.10 0.00 0.00 34.13 32.00 1ius s GLU 76 CO 0.08 0.51 -0.07 0.42 0.02 0.00 0.00 175.26 176.22 1ius s ILE 77 N -1.16 1.16 -0.13 -1.63 1.01 -0.03 -0.46 121.20 119.95 1ius s ILE 77 Ca 0.20 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1ius s ILE 77 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1ius s ILE 77 CO 0.12 0.20 0.05 0.00 0.00 0.00 0.00 174.94 175.31 1ius s ALA 78 N 1.62 3.45 -0.18 9.38 0.00 0.39 -0.82 121.76 135.60 1ius s ALA 78 Ca 0.02 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 1ius s ALA 78 Cb -0.15 -1.75 0.08 0.00 0.00 0.00 0.00 23.12 21.31 1ius s ALA 78 CO -0.08 0.44 0.77 -0.59 0.00 0.00 0.00 175.76 176.30 1ius s PHE 79 N -0.42 -0.66 -1.56 0.00 -0.71 -0.12 -0.82 117.98 113.68 1ius s PHE 79 Ca 0.09 1.42 -0.07 0.00 -1.04 0.00 0.00 56.93 57.33 1ius s PHE 79 Cb -0.12 0.35 0.07 0.00 -1.21 0.00 0.00 43.02 42.11 1ius s PHE 79 CO 0.02 -0.44 0.46 0.00 -1.34 0.00 0.00 175.22 173.92 1ius n ALA 80 N 1.81 -1.72 -3.03 1.99 0.00 -1.26 -1.85 120.51 116.44 1ius n ALA 80 Ca -0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1ius n ALA 80 Cb 0.56 -2.02 0.05 0.00 0.00 0.00 0.00 19.45 18.03 1ius n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ius n GLY 81 N -1.87 0.07 3.64 0.00 0.00 -1.26 -5.03 105.19 100.74 1ius n GLY 81 Ca -0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1ius n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ius s GLN 82 N -5.46 0.60 -0.10 1.61 -2.07 -0.77 -5.15 119.66 108.33 1ius s GLN 82 Ca 0.24 0.75 -0.03 0.00 -1.82 0.00 0.00 55.36 54.49 1ius s GLN 82 Cb -0.10 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 1ius s GLN 82 CO 0.41 -0.08 0.04 1.03 -1.32 0.00 0.00 175.29 175.37 1ius s ARG 83 N 0.39 3.11 -0.07 9.60 0.52 -1.26 -0.94 118.95 130.30 1ius s ARG 83 Ca 0.01 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1ius s ARG 83 Cb -0.05 -2.89 0.01 0.00 0.52 0.00 0.00 34.95 32.54 1ius s ARG 83 CO -0.05 0.71 -0.13 1.03 0.02 0.00 0.00 175.30 176.88 1ius s ARG 84 N -0.89 1.82 -0.13 3.54 1.81 -0.00 -4.96 118.95 120.13 1ius s ARG 84 Ca 0.13 -0.46 -0.10 0.00 -1.72 0.00 0.00 55.73 53.59 1ius s ARG 84 Cb -0.12 -1.48 -0.05 0.00 -0.45 0.00 0.00 34.95 32.85 1ius s ARG 84 CO 0.03 0.05 0.19 0.50 -0.68 0.00 0.00 175.30 175.38 1ius s ARG 85 N 0.62 3.83 -0.25 3.54 3.52 -1.26 -0.85 118.95 128.09 1ius s ARG 85 Ca -0.15 -0.06 -0.07 0.00 -0.13 0.00 0.00 55.73 55.33 1ius s ARG 85 Cb -0.16 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1ius s ARG 85 CO 0.04 0.56 0.06 0.42 -0.81 0.00 0.00 175.30 175.56 1ius s ILE 86 N -0.43 4.19 -0.79 4.11 1.01 -0.69 -5.01 121.20 123.60 1ius s ILE 86 Ca 0.14 -0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 1ius s ILE 86 Cb -0.12 -2.96 0.06 0.00 0.01 0.00 0.00 42.46 39.45 1ius s ILE 86 CO 0.03 0.34 1.17 -0.62 0.00 0.00 0.00 174.94 175.87 1ius s ASP 87 N 1.60 6.29 0.09 3.58 -1.08 -1.26 -2.89 116.67 122.99 1ius s ASP 87 Ca 0.06 -1.04 -0.28 0.00 -0.52 0.00 0.00 52.55 50.77 1ius s ASP 87 Cb -0.15 -2.49 -0.15 0.00 -1.46 0.00 0.00 42.92 38.67 1ius s ASP 87 CO 0.03 -1.53 1.68 -0.07 0.52 0.00 0.00 175.17 175.79 1ius h LEU 88 N 12.01 -0.44 -0.45 -1.34 3.38 -1.16 -0.50 115.31 126.81 1ius h LEU 88 Ca -0.14 0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1ius h LEU 88 Cb 1.05 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 1ius h LEU 88 CO 1.25 -0.29 0.04 0.50 0.09 0.00 0.00 178.44 180.03 1ius h LYS 89 N -0.45 0.16 0.50 1.13 3.64 -1.39 0.10 116.57 120.27 1ius h LYS 89 Ca -0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ius h LYS 89 Cb 0.37 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1ius h LYS 89 CO 0.03 0.10 -0.24 -0.09 -2.27 0.00 0.00 179.45 176.98 1ius h ARG 90 N 0.16 -0.65 0.00 1.90 1.12 -1.82 1.30 114.38 116.39 1ius h ARG 90 Ca 0.22 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.13 1ius h ARG 90 Cb 0.31 0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1ius h ARG 90 CO -0.34 -0.36 -0.03 -0.07 -3.11 0.00 0.00 179.97 176.07 1ius h LEU 91 N -1.06 0.00 -1.80 3.80 -0.00 -0.98 -2.26 115.31 113.01 1ius h LEU 91 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1ius h LEU 91 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1ius h LEU 91 CO 0.11 0.03 0.00 -1.54 -0.00 0.00 0.00 178.44 177.04 1ius n SER 92 N -3.22 2.57 -0.61 -0.43 3.41 0.35 -4.71 113.62 110.98 1ius n SER 92 Ca -0.01 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1ius n SER 92 Cb 0.19 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1ius n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ius n GLY 93 N 1.00 0.83 0.14 5.00 0.00 -0.85 -4.39 105.19 106.93 1ius n GLY 93 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1ius n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ius n GLY 94 N -0.61 0.23 3.86 -0.02 0.00 0.45 -5.03 105.19 104.06 1ius n GLY 94 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ius n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ius s LYS 95 N -0.95 3.72 0.32 1.61 1.02 -1.26 -4.86 119.74 119.34 1ius s LYS 95 Ca 0.00 0.75 0.07 0.00 0.02 0.00 0.00 55.97 56.81 1ius s LYS 95 Cb 0.00 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1ius s LYS 95 CO 0.00 -0.40 0.28 0.25 -0.92 0.00 0.00 175.35 174.56 1ius n THR 96 N -2.22 0.00 -4.37 2.17 -2.24 -1.26 -2.99 114.28 103.36 1ius n THR 96 Ca 0.05 -2.30 -0.19 0.00 -2.27 0.00 0.00 64.05 59.34 1ius n THR 96 Cb 0.54 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 1ius n THR 96 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ius s VAL 97 N -3.27 1.72 -0.08 2.28 -7.23 -1.02 -3.80 120.40 109.00 1ius s VAL 97 Ca 0.38 -2.19 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1ius s VAL 97 Cb 0.02 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 1ius s VAL 97 CO 0.27 -0.50 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.44 1ius s THR 98 N -2.98 1.91 -0.36 5.32 2.01 0.26 -0.51 115.64 121.29 1ius s THR 98 Ca 0.25 -0.95 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 1ius s THR 98 Cb 0.00 -1.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 1ius s THR 98 CO 0.09 0.53 0.41 -0.69 -0.69 0.00 0.00 174.62 174.27 1ius s VAL 99 N 0.22 5.12 -0.24 3.82 1.01 0.26 0.44 120.40 131.03 1ius s VAL 99 Ca -0.13 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1ius s VAL 99 Cb -0.16 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.43 1ius s VAL 99 CO 0.06 -0.19 0.49 -0.47 0.00 0.00 0.00 175.10 174.99 1ius s TYR 100 N 2.13 -1.02 0.54 5.22 5.04 -0.28 -1.66 117.35 127.32 1ius s TYR 100 Ca 0.13 1.69 -0.20 0.00 -2.44 0.00 0.00 57.07 56.26 1ius s TYR 100 Cb -0.16 0.44 -0.08 0.00 0.35 0.00 0.00 41.96 42.51 1ius s TYR 100 CO 0.12 -0.59 0.81 0.41 -1.34 0.00 0.00 175.55 174.96 1ius n GLY 101 N 5.41 -0.73 0.19 8.97 0.00 -1.26 -4.56 105.19 113.22 1ius n GLY 101 Ca -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1ius n GLY 101 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ius h GLN 102 N 0.66 0.00 -0.52 1.61 4.15 -1.07 -2.22 115.11 117.72 1ius h GLN 102 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 1ius h GLN 102 Cb 1.37 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 1ius h GLN 102 CO 0.51 0.34 0.26 1.15 -1.93 0.00 0.00 178.83 179.16 1ius h THR 103 N 0.00 1.19 -0.11 2.39 2.02 -1.76 -1.05 112.91 115.58 1ius h THR 103 Ca -0.00 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 1ius h THR 103 Cb 0.63 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ius h THR 103 CO 0.04 0.22 -0.03 -0.33 0.37 0.00 0.00 175.52 175.79 1ius h GLU 104 N 0.70 0.22 -0.95 6.66 3.07 -1.79 -1.28 114.58 121.20 1ius h GLU 104 Ca 0.18 -0.08 0.10 0.00 -0.50 0.00 0.00 59.36 59.05 1ius h GLU 104 Cb 0.11 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 27.93 1ius h GLU 104 CO -0.02 0.52 0.59 0.28 -1.40 0.00 0.00 179.01 178.98 1ius h VAL 105 N -0.10 0.96 -0.31 3.13 2.07 -1.30 0.27 116.25 120.98 1ius h VAL 105 Ca 0.03 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1ius h VAL 105 Cb 0.44 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1ius h VAL 105 CO 0.01 0.18 -0.37 0.74 0.02 0.00 0.00 177.57 178.16 1ius h THR 106 N 0.99 1.29 -0.55 2.57 2.02 -0.97 -2.20 112.91 116.06 1ius h THR 106 Ca 0.45 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.06 1ius h THR 106 Cb 0.36 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1ius h THR 106 CO -0.23 0.49 0.15 -0.09 0.37 0.00 0.00 175.52 176.21 1ius h ARG 107 N 0.59 0.88 -0.64 6.66 2.43 -0.26 -1.16 114.38 122.87 1ius h ARG 107 Ca 0.06 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1ius h ARG 107 Cb 0.89 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1ius h ARG 107 CO 0.08 0.81 0.28 -0.44 -1.51 0.00 0.00 179.97 179.20 1ius h ASP 108 N 0.78 0.86 -0.44 -3.80 3.32 -0.82 -1.57 116.42 114.75 1ius h ASP 108 Ca 0.18 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 1ius h ASP 108 Cb 0.32 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1ius h ASP 108 CO -0.00 0.77 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.93 1ius h LEU 109 N 0.89 1.02 -0.56 1.55 3.38 -1.19 -1.98 115.31 118.42 1ius h LEU 109 Ca 0.22 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ius h LEU 109 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ius h LEU 109 CO -0.02 1.23 0.26 0.24 0.09 0.00 0.00 178.44 180.23 1ius h MET 110 N 0.82 0.81 -0.46 1.13 2.86 -1.04 0.11 114.93 119.17 1ius h MET 110 Ca 0.09 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 1ius h MET 110 Cb 0.88 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1ius h MET 110 CO 0.08 0.67 -0.08 0.93 1.06 0.00 0.00 176.91 179.57 1ius h GLU 111 N 0.75 0.86 -0.64 1.72 5.08 -1.30 -1.06 114.58 119.99 1ius h GLU 111 Ca 0.19 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1ius h GLU 111 Cb 0.13 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1ius h GLU 111 CO -0.02 0.95 0.17 0.00 -1.00 0.00 0.00 179.01 179.10 1ius h ALA 112 N 0.89 1.08 -0.34 3.43 0.00 -1.09 -1.42 119.26 121.81 1ius h ALA 112 Ca 0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1ius h ALA 112 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ius h ALA 112 CO 0.04 0.61 -0.28 -0.09 0.00 0.00 0.00 179.25 179.53 1ius h ARG 113 N 0.96 0.79 -0.35 0.00 2.43 -0.63 -2.72 114.38 114.86 1ius h ARG 113 Ca 0.21 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1ius h ARG 113 Cb 0.32 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1ius h ARG 113 CO -0.00 1.03 0.21 1.49 -1.51 0.00 0.00 179.97 181.19 1ius h GLU 114 N 0.57 0.48 -0.61 0.20 4.81 -0.87 -2.85 114.58 116.30 1ius h GLU 114 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ius h GLU 114 Cb 0.86 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1ius h GLU 114 CO 0.07 0.36 0.39 0.00 -0.73 0.00 0.00 179.01 179.10 1ius h ALA 115 N 1.09 1.55 0.00 2.92 0.00 -1.23 -1.88 119.26 121.70 1ius h ALA 115 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ius h ALA 115 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ius h ALA 115 CO -0.02 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1ius n GLY 117 N 0.70 0.43 3.79 0.00 0.00 -0.71 -5.03 105.19 104.37 1ius n GLY 117 Ca 0.04 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1ius n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ius s ALA 118 N -2.00 2.81 0.13 4.61 0.00 -1.18 -4.98 121.76 121.14 1ius s ALA 118 Ca 0.00 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 1ius s ALA 118 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1ius s ALA 118 CO 0.00 -0.52 1.30 0.99 0.00 0.00 0.00 175.76 177.53 1ius s THR 119 N -1.86 3.50 -0.11 0.00 2.01 -1.26 -4.83 115.64 113.08 1ius s THR 119 Ca 0.69 1.13 -0.04 0.00 0.31 0.00 0.00 61.69 63.79 1ius s THR 119 Cb -0.20 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.64 1ius s THR 119 CO 0.24 0.12 0.21 -0.89 -0.69 0.00 0.00 174.62 173.60 1ius s THR 120 N 0.68 -0.33 -0.42 -0.82 2.01 -1.26 -2.66 115.64 112.84 1ius s THR 120 Ca 0.59 0.30 -0.11 0.00 0.31 0.00 0.00 61.69 62.79 1ius s THR 120 Cb -0.34 -0.38 0.07 0.00 0.01 0.00 0.00 72.50 71.86 1ius s THR 120 CO 0.33 0.11 0.27 -0.69 -0.69 0.00 0.00 174.62 173.96 1ius s VAL 121 N 2.35 4.47 0.55 3.82 1.01 -0.12 -4.99 120.40 127.48 1ius s VAL 121 Ca 0.03 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 1ius s VAL 121 Cb -0.12 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1ius s VAL 121 CO -0.07 -0.47 0.88 -0.31 0.00 0.00 0.00 175.10 175.13 1ius s TYR 122 N 1.49 3.47 -1.43 5.22 2.02 -1.26 -1.21 117.35 125.64 1ius s TYR 122 Ca 0.03 0.86 -0.07 0.00 -0.37 0.00 0.00 57.07 57.52 1ius s TYR 122 Cb -0.22 -2.55 0.03 0.00 -0.40 0.00 0.00 41.96 38.82 1ius s TYR 122 CO 0.04 -0.56 0.55 1.04 -1.57 0.00 0.00 175.55 175.05 1ius n GLN 123 N -2.48 -4.24 -2.50 -0.62 6.02 0.63 -4.87 117.38 109.32 1ius n GLN 123 Ca 0.03 0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 57.32 1ius n GLN 123 Cb 0.56 -5.52 -0.03 0.00 1.02 0.00 0.00 30.24 26.28 1ius n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ius s ALA 124 N -3.06 2.87 0.40 -1.58 0.00 -0.15 -4.71 121.76 115.54 1ius s ALA 124 Ca 0.34 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 1ius s ALA 124 Cb -0.16 -4.10 -0.07 0.00 0.00 0.00 0.00 23.12 18.78 1ius s ALA 124 CO 0.42 -2.89 0.78 0.00 0.00 0.00 0.00 175.76 174.07 1ius s ALA 125 N 5.54 3.32 -1.31 0.00 0.00 0.06 -4.09 121.76 125.29 1ius s ALA 125 Ca 0.45 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1ius s ALA 125 Cb -0.09 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.30 1ius s ALA 125 CO 0.23 0.02 0.51 0.39 0.00 0.00 0.00 175.76 176.91 1ius n GLU 126 N -1.19 -1.50 -2.10 0.00 4.71 -1.26 -0.68 120.64 118.62 1ius n GLU 126 Ca 0.03 0.27 -0.42 0.00 -0.01 0.00 0.00 57.16 57.03 1ius n GLU 126 Cb 0.54 -3.70 -0.03 0.00 -1.01 0.00 0.00 31.44 27.24 1ius n GLU 126 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ius s VAL 127 N -3.79 3.06 -0.00 2.62 1.01 -1.26 -4.34 120.40 117.70 1ius s VAL 127 Ca 0.26 0.78 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1ius s VAL 127 Cb -0.12 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1ius s VAL 127 CO 0.92 0.07 -0.09 -0.13 0.00 0.00 0.00 175.10 175.87 1ius s ARG 128 N 0.92 0.74 -0.10 2.72 1.81 -0.12 -4.97 118.95 119.95 1ius s ARG 128 Ca 0.65 -0.36 -0.03 0.00 -1.72 0.00 0.00 55.73 54.27 1ius s ARG 128 Cb -0.39 -0.71 -0.03 0.00 -0.45 0.00 0.00 34.95 33.36 1ius s ARG 128 CO 0.32 0.19 0.01 -0.51 -0.68 0.00 0.00 175.30 174.64 1ius s LEU 129 N -0.30 3.63 0.09 2.53 1.02 -1.26 -0.98 118.68 123.40 1ius s LEU 129 Ca 0.03 0.14 0.03 0.00 0.02 0.00 0.00 54.13 54.35 1ius s LEU 129 Cb -0.04 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 1ius s LEU 129 CO -0.00 0.35 -0.09 -1.00 0.02 0.00 0.00 176.35 175.63 1ius s HIS 130 N -0.68 0.93 -1.45 0.29 3.76 0.21 -4.88 115.29 113.47 1ius s HIS 130 Ca 0.11 -0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 54.23 1ius s HIS 130 Cb -0.12 -0.53 0.05 0.00 1.11 0.00 0.00 32.58 33.10 1ius s HIS 130 CO 0.02 -0.06 0.83 -0.25 -0.85 0.00 0.00 174.74 174.43 1ius n ASP 131 N 0.54 -3.08 0.28 1.40 8.00 -1.26 -1.88 116.55 120.54 1ius n ASP 131 Ca -0.16 -0.82 0.16 0.00 0.71 0.00 0.00 54.79 54.68 1ius n ASP 131 Cb 0.58 -3.84 0.92 0.00 -0.02 0.00 0.00 41.12 38.76 1ius n ASP 131 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ius h LEU 132 N -1.97 0.00 -1.32 0.64 3.38 -1.93 -1.95 115.31 112.16 1ius h LEU 132 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1ius h LEU 132 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1ius h LEU 132 CO 0.63 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.95 1ius n GLN 133 N -3.78 1.62 -1.64 1.13 6.02 -1.26 -1.21 117.38 118.26 1ius n GLN 133 Ca -0.02 -1.26 -0.25 0.00 -0.01 0.00 0.00 57.00 55.46 1ius n GLN 133 Cb 0.13 -1.37 0.17 0.00 1.02 0.00 0.00 30.24 30.19 1ius n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ius n GLY 134 N 1.21 -1.39 0.02 1.08 0.00 -0.73 -4.96 105.19 100.42 1ius n GLY 134 Ca 0.10 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.53 1ius n GLY 134 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ius n GLU 135 N -3.38 0.08 -3.48 1.61 0.28 -1.26 -4.51 120.64 109.98 1ius n GLU 135 Ca 0.14 0.03 -0.27 0.00 -0.16 0.00 0.00 57.16 56.90 1ius n GLU 135 Cb 0.49 -1.55 -0.10 0.00 1.43 0.00 0.00 31.44 31.71 1ius n GLU 135 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ius n ARG 136 N -1.67 0.58 -1.47 3.44 1.74 -1.26 -4.92 116.66 113.10 1ius n ARG 136 Ca 0.05 -3.46 -0.30 0.00 -0.77 0.00 0.00 57.85 53.37 1ius n ARG 136 Cb 0.36 -1.78 0.10 0.00 -1.02 0.00 0.00 32.46 30.13 1ius n ARG 136 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ius s PRO 137 N -0.35 1.87 0.09 5.56 0.04 -1.25 -4.86 135.00 136.09 1ius s PRO 137 Ca 0.32 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 61.86 1ius s PRO 137 Cb 0.03 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1ius s PRO 137 CO -0.19 -1.78 0.40 1.52 0.04 0.00 0.00 177.00 176.99 1ius s TYR 138 N -3.11 -0.22 -0.03 0.56 1.13 -0.79 -2.75 117.35 112.15 1ius s TYR 138 Ca 0.61 0.03 0.07 0.00 -1.41 0.00 0.00 57.07 56.37 1ius s TYR 138 Cb -0.15 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.92 1ius s TYR 138 CO 0.55 -0.64 -0.24 0.08 -2.51 0.00 0.00 175.55 172.79 1ius s VAL 139 N -3.20 2.24 0.09 -3.49 1.01 0.29 -0.62 120.40 116.72 1ius s VAL 139 Ca -0.01 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.03 1ius s VAL 139 Cb 0.01 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1ius s VAL 139 CO -0.08 0.58 -0.24 0.42 0.00 0.00 0.00 175.10 175.79 1ius s THR 140 N -0.61 1.95 0.37 3.92 -4.23 -0.15 0.06 115.64 116.95 1ius s THR 140 Ca 0.10 -1.50 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 1ius s THR 140 Cb -0.10 -1.72 0.04 0.00 1.34 0.00 0.00 72.50 72.06 1ius s THR 140 CO -0.01 0.13 0.74 0.72 -0.54 0.00 0.00 174.62 175.66 1ius s PHE 141 N -0.98 0.19 -0.07 3.99 -0.71 -0.51 -0.95 117.98 118.94 1ius s PHE 141 Ca 0.10 -0.79 0.02 0.00 -1.04 0.00 0.00 56.93 55.23 1ius s PHE 141 Cb -0.10 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.44 1ius s PHE 141 CO 0.04 -1.47 -0.13 -1.21 -1.34 0.00 0.00 175.22 171.10 1ius s GLU 142 N -2.62 1.81 -0.22 1.99 2.02 0.14 0.06 118.70 121.87 1ius s GLU 142 Ca 0.17 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.72 1ius s GLU 142 Cb -0.05 -1.49 0.05 0.00 0.10 0.00 0.00 34.13 32.75 1ius s GLU 142 CO 0.12 0.03 -0.09 0.50 0.02 0.00 0.00 175.26 175.83 1ius s ARG 143 N 0.67 1.99 -1.18 1.61 3.52 -0.97 -0.76 118.95 123.83 1ius s ARG 143 Ca -0.14 -0.96 -0.19 0.00 -0.13 0.00 0.00 55.73 54.30 1ius s ARG 143 Cb -0.16 -2.54 -0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1ius s ARG 143 CO 0.04 -0.49 0.74 -0.40 -0.81 0.00 0.00 175.30 174.38 1ius n ASP 144 N 4.64 -4.54 0.00 -2.12 5.68 -1.26 -2.79 116.55 116.16 1ius n ASP 144 Ca -0.14 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 1ius n ASP 144 Cb 0.45 -3.23 0.00 0.00 -1.14 0.00 0.00 41.12 37.20 1ius n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ius n GLY 145 N -1.75 2.72 3.69 6.12 0.00 -1.26 -5.01 105.19 109.70 1ius n GLY 145 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1ius n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ius s GLU 146 N -0.04 3.70 -0.19 1.61 -1.05 -1.12 -5.06 118.70 116.55 1ius s GLU 146 Ca 0.00 -0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.21 1ius s GLU 146 Cb 0.00 -3.13 -0.01 0.00 -0.44 0.00 0.00 34.13 30.55 1ius s GLU 146 CO 0.00 0.44 1.22 0.50 0.95 0.00 0.00 175.26 178.37 1ius s ARG 147 N -0.11 4.21 0.20 -4.83 6.06 -1.26 -2.30 118.95 120.91 1ius s ARG 147 Ca 0.07 1.56 0.08 0.00 -2.50 0.00 0.00 55.73 54.94 1ius s ARG 147 Cb -0.12 -3.75 -0.04 0.00 0.06 0.00 0.00 34.95 31.10 1ius s ARG 147 CO 0.01 -0.73 -0.02 -0.51 -2.50 0.00 0.00 175.30 171.54 1ius s LEU 148 N 3.53 3.20 -0.04 -0.88 1.43 0.11 -4.96 118.68 121.06 1ius s LEU 148 Ca 0.53 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1ius s LEU 148 Cb -0.20 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1ius s LEU 148 CO 0.14 0.07 -0.25 -0.60 0.23 0.00 0.00 176.35 175.93 1ius s ARG 149 N -3.12 2.26 -0.17 1.70 3.52 -1.26 -1.42 118.95 120.46 1ius s ARG 149 Ca 0.28 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1ius s ARG 149 Cb -0.08 -2.05 0.04 0.00 -1.56 0.00 0.00 34.95 31.29 1ius s ARG 149 CO 0.18 0.47 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.88 1ius s LEU 150 N -0.39 1.81 0.15 -0.88 2.96 0.11 -3.45 118.68 118.99 1ius s LEU 150 Ca 0.04 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.14 1ius s LEU 150 Cb -0.12 -1.06 -0.07 0.00 0.50 0.00 0.00 46.19 45.45 1ius s LEU 150 CO 0.01 -0.14 0.53 -1.81 -1.32 0.00 0.00 176.35 173.62 1ius s ASP 151 N 1.54 6.77 0.34 3.68 1.01 -0.14 -0.55 116.67 129.33 1ius s ASP 151 Ca 0.01 1.02 -0.14 0.00 0.71 0.00 0.00 52.55 54.15 1ius s ASP 151 Cb -0.15 -2.27 0.03 0.00 1.01 0.00 0.00 42.92 41.55 1ius s ASP 151 CO -0.08 0.08 0.69 0.00 0.21 0.00 0.00 175.17 176.06 1ius n ASP 153 N -1.11 1.26 -4.02 0.00 8.00 0.20 -3.77 116.55 117.10 1ius n ASP 153 Ca -0.05 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.36 1ius n ASP 153 Cb 0.60 0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 1ius n ASP 153 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ius s TYR 154 N -2.52 0.38 -0.06 1.24 2.02 -1.01 -4.71 117.35 112.70 1ius s TYR 154 Ca -0.23 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 55.68 1ius s TYR 154 Cb 0.08 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.36 1ius s TYR 154 CO 0.71 -0.36 -0.15 0.42 -1.57 0.00 0.00 175.55 174.60 1ius s ILE 155 N -3.22 1.34 -0.28 2.71 1.01 0.14 -1.15 121.20 121.75 1ius s ILE 155 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1ius s ILE 155 Cb 0.03 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.35 1ius s ILE 155 CO -0.07 0.40 -0.02 0.00 0.00 0.00 0.00 174.94 175.24 1ius s ALA 156 N 0.31 2.79 -0.66 9.38 0.00 -0.12 -1.51 121.76 131.95 1ius s ALA 156 Ca -0.09 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 49.98 1ius s ALA 156 Cb -0.14 -1.85 0.03 0.00 0.00 0.00 0.00 23.12 21.16 1ius s ALA 156 CO 0.03 -1.05 1.23 0.20 0.00 0.00 0.00 175.76 176.17 1ius s GLY 157 N 1.31 1.02 -0.28 0.00 0.00 0.71 -1.92 107.32 108.15 1ius s GLY 157 Ca -0.02 -1.11 0.08 0.00 0.00 0.00 0.00 44.72 43.67 1ius s GLY 157 CO -0.02 2.56 1.19 0.00 0.00 0.00 0.00 173.10 176.83 1ius n ASP 159 N -0.72 4.64 -0.70 0.00 5.68 -0.98 -4.38 116.55 120.10 1ius n ASP 159 Ca 0.41 -2.76 0.09 0.00 -0.50 0.00 0.00 54.79 52.02 1ius n ASP 159 Cb 0.95 -0.66 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 1ius n ASP 159 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ius n GLY 160 N 0.40 -2.03 0.36 6.12 0.00 -1.26 -2.74 105.19 106.04 1ius n GLY 160 Ca 0.23 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 45.01 1ius n GLY 160 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ius h PHE 161 N -0.60 0.66 -0.71 1.61 3.57 -1.79 -2.42 116.94 117.27 1ius h PHE 161 Ca 0.01 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.32 1ius h PHE 161 Cb 0.59 -0.21 -0.12 0.00 2.79 0.00 0.00 35.95 38.99 1ius h PHE 161 CO 0.00 0.32 0.25 0.72 -2.23 0.00 0.00 178.31 177.37 1ius n HIS 162 N -4.49 2.37 -1.65 0.41 8.25 -1.26 -4.94 115.22 113.91 1ius n HIS 162 Ca 0.12 -1.21 -0.29 0.00 -0.26 0.00 0.00 57.72 56.08 1ius n HIS 162 Cb 0.33 -0.67 0.11 0.00 1.12 0.00 0.00 29.99 30.88 1ius n HIS 162 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ius s GLY 163 N -1.13 1.59 0.27 -1.41 0.00 -0.91 -4.98 107.32 100.75 1ius s GLY 163 Ca 0.55 -0.47 0.16 0.00 0.00 0.00 0.00 44.72 44.96 1ius s GLY 163 CO 0.13 0.03 1.38 1.19 0.00 0.00 0.00 173.10 175.82 1ius h ILE 164 N -1.24 0.71 -0.48 0.90 6.09 -1.90 -3.38 117.51 118.21 1ius h ILE 164 Ca -0.48 -2.04 -0.01 0.00 -1.37 0.00 0.00 64.86 60.95 1ius h ILE 164 Cb 1.31 2.31 -0.02 0.00 0.47 0.00 0.00 36.82 40.89 1ius h ILE 164 CO 0.62 0.41 0.26 0.77 -3.07 0.00 0.00 178.15 177.14 1ius h SER 165 N 0.00 0.61 0.57 2.19 4.64 -1.94 -1.65 113.55 117.97 1ius h SER 165 Ca -0.02 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.12 1ius h SER 165 Cb 1.36 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1ius h SER 165 CO 0.05 0.54 -0.36 -0.09 -0.87 0.00 0.00 176.83 176.10 1ius h ARG 166 N 0.64 0.00 0.00 4.77 2.43 -1.86 -2.10 114.38 118.26 1ius h ARG 166 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1ius h ARG 166 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1ius h ARG 166 CO -0.03 0.36 0.00 1.04 -1.51 0.00 0.00 179.97 179.84 1ius n GLN 167 N -3.79 0.19 0.00 0.20 1.13 -0.70 -2.97 117.38 111.44 1ius n GLN 167 Ca -0.01 0.32 0.13 0.00 -1.94 0.00 0.00 57.00 55.50 1ius n GLN 167 Cb 0.44 -1.81 0.37 0.00 0.11 0.00 0.00 30.24 29.35 1ius n GLN 167 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ius n SER 168 N -2.16 0.71 -4.79 1.08 7.64 -0.75 -4.84 113.62 110.52 1ius n SER 168 Ca 0.04 -0.55 -0.38 0.00 1.01 0.00 0.00 58.87 58.99 1ius n SER 168 Cb 0.29 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 1ius n SER 168 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ius s ILE 169 N -2.71 5.08 -0.08 0.44 1.01 -1.16 -5.01 121.20 118.78 1ius s ILE 169 Ca 0.19 0.88 -0.35 0.00 0.00 0.00 0.00 60.65 61.38 1ius s ILE 169 Cb 0.19 -3.75 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 1ius s ILE 169 CO 0.58 0.48 1.84 -2.65 0.00 0.00 0.00 174.94 175.19 1ius n PRO 170 N 2.54 2.09 -0.18 2.79 -0.02 -1.26 -4.82 135.00 136.14 1ius n PRO 170 Ca -0.11 0.77 0.26 0.00 -2.02 0.00 0.00 63.50 62.39 1ius n PRO 170 Cb 0.52 -2.59 0.68 0.00 -0.02 0.00 0.00 33.50 32.09 1ius n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ius h ALA 171 N 8.70 2.71 0.00 3.55 0.00 -1.92 0.23 119.26 132.52 1ius h ALA 171 Ca -0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1ius h ALA 171 Cb 1.27 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ius h ALA 171 CO 0.94 -0.96 -0.15 0.93 0.00 0.00 0.00 179.25 180.01 1ius h GLU 172 N 0.07 0.00 0.00 0.00 5.08 -2.03 -2.65 114.58 115.04 1ius h GLU 172 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1ius h GLU 172 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1ius h GLU 172 CO -0.04 0.15 0.00 0.54 -1.00 0.00 0.00 179.01 178.66 1ius n ARG 173 N -3.65 0.10 -4.15 2.33 5.12 0.79 -4.87 116.66 112.33 1ius n ARG 173 Ca -0.02 0.08 -0.31 0.00 -1.93 0.00 0.00 57.85 55.68 1ius n ARG 173 Cb 0.28 -1.61 -0.08 0.00 -1.16 0.00 0.00 32.46 29.89 1ius n ARG 173 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ius s LEU 174 N -3.56 3.54 -0.16 0.55 1.43 -1.00 -4.48 118.68 114.99 1ius s LEU 174 Ca 0.13 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1ius s LEU 174 Cb 0.17 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ius s LEU 174 CO 0.55 0.20 -0.20 -0.75 0.23 0.00 0.00 176.35 176.38 1ius s LYS 175 N -2.16 2.90 -0.17 1.70 2.20 -0.22 -4.97 119.74 119.02 1ius s LYS 175 Ca 0.25 -0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 54.99 1ius s LYS 175 Cb -0.12 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1ius s LYS 175 CO 0.17 -0.15 0.06 0.08 -0.36 0.00 0.00 175.35 175.15 1ius s VAL 176 N 1.17 4.75 -0.16 4.02 1.01 -1.26 -1.26 120.40 128.66 1ius s VAL 176 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1ius s VAL 176 Cb -0.14 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1ius s VAL 176 CO -0.09 0.48 -0.19 -0.36 0.00 0.00 0.00 175.10 174.94 1ius s PHE 177 N 0.18 2.56 -0.06 5.22 0.40 -0.10 -5.00 117.98 121.18 1ius s PHE 177 Ca 0.04 -1.44 -0.15 0.00 -0.60 0.00 0.00 56.93 54.78 1ius s PHE 177 Cb -0.12 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.65 1ius s PHE 177 CO 0.01 -0.72 0.36 -2.00 0.70 0.00 0.00 175.22 173.57 1ius s GLU 178 N 1.22 0.61 -0.02 0.44 2.12 -1.26 -0.92 118.70 120.90 1ius s GLU 178 Ca 0.02 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.46 1ius s GLU 178 Cb -0.14 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.55 1ius s GLU 178 CO -0.09 -0.14 -0.02 0.50 -0.54 0.00 0.00 175.26 174.96 1ius s ARG 179 N -0.75 0.29 -0.14 4.30 3.52 -0.50 -5.00 118.95 120.67 1ius s ARG 179 Ca -0.08 -0.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.46 1ius s ARG 179 Cb -0.04 -0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 1ius s ARG 179 CO 0.03 -0.03 -0.04 0.08 -0.81 0.00 0.00 175.30 174.53 1ius s VAL 180 N 0.46 3.89 0.11 7.11 1.01 -1.26 -1.24 120.40 130.47 1ius s VAL 180 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1ius s VAL 180 Cb -0.07 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 1ius s VAL 180 CO -0.01 0.51 0.46 -0.31 0.00 0.00 0.00 175.10 175.75 1ius s TYR 181 N 0.15 3.58 0.00 5.22 1.51 -1.09 -4.97 117.35 121.75 1ius s TYR 181 Ca -0.02 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 56.93 1ius s TYR 181 Cb -0.14 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1ius s TYR 181 CO 0.03 0.47 1.19 -0.35 -1.11 0.00 0.00 175.55 175.78 1ius n PRO 182 N 0.81 0.81 -3.78 -1.71 -0.04 -1.26 -4.68 135.00 125.14 1ius n PRO 182 Ca -0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.33 1ius n PRO 182 Cb 0.52 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 1ius n PRO 182 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ius s PHE 183 N 0.28 -0.21 0.37 0.54 -0.12 -1.26 -4.26 117.98 113.32 1ius s PHE 183 Ca 0.00 -0.18 0.05 0.00 -0.05 0.00 0.00 56.93 56.75 1ius s PHE 183 Cb 0.00 0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 43.03 1ius s PHE 183 CO 0.00 -1.07 0.18 0.20 -0.05 0.00 0.00 175.22 174.48 1ius s GLY 184 N -2.90 2.43 -0.14 1.99 0.00 0.16 -2.51 107.32 106.35 1ius s GLY 184 Ca 0.10 -1.58 -0.02 0.00 0.00 0.00 0.00 44.72 43.23 1ius s GLY 184 CO 0.04 -1.68 -0.09 -0.98 0.00 0.00 0.00 173.10 170.39 1ius s TRP 185 N -3.36 2.91 -0.36 1.90 0.52 0.21 -0.22 118.94 120.53 1ius s TRP 185 Ca 0.31 -0.48 -0.13 0.00 0.02 0.00 0.00 56.10 55.83 1ius s TRP 185 Cb 0.03 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1ius s TRP 185 CO 0.19 -0.12 0.24 -1.17 0.02 0.00 0.00 176.95 176.11 1ius s LEU 186 N 0.34 4.68 0.01 2.99 2.96 -0.09 -0.42 118.68 129.15 1ius s LEU 186 Ca -0.08 -0.71 0.01 0.00 -0.22 0.00 0.00 54.13 53.14 1ius s LEU 186 Cb -0.15 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1ius s LEU 186 CO 0.04 -0.33 0.03 -0.83 -1.32 0.00 0.00 176.35 173.94 1ius s GLY 187 N 1.66 1.93 -0.07 7.98 0.00 -0.27 -0.90 107.32 117.65 1ius s GLY 187 Ca 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1ius s GLY 187 CO 0.09 -0.84 -0.02 -2.27 0.00 0.00 0.00 173.10 170.06 1ius s LEU 188 N -1.73 0.88 -0.18 0.66 0.20 0.41 -2.43 118.68 116.48 1ius s LEU 188 Ca 0.22 -0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.80 1ius s LEU 188 Cb -0.12 -0.48 -0.05 0.00 -0.43 0.00 0.00 46.19 45.11 1ius s LEU 188 CO 0.13 -0.14 0.22 -0.22 -0.29 0.00 0.00 176.35 176.04 1ius s LEU 189 N 1.62 4.23 0.01 -0.68 2.96 -0.37 -1.65 118.68 124.80 1ius s LEU 189 Ca 0.00 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1ius s LEU 189 Cb -0.13 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 1ius s LEU 189 CO -0.04 0.14 -0.03 0.00 -1.32 0.00 0.00 176.35 175.09 1ius s ALA 190 N 0.41 0.23 -1.43 5.97 0.00 -0.61 0.23 121.76 126.56 1ius s ALA 190 Ca 0.13 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 1ius s ALA 190 Cb -0.12 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1ius s ALA 190 CO 0.01 -0.04 2.49 -3.47 0.00 0.00 0.00 175.76 174.75 1ius n ASP 191 N 2.22 7.48 -4.19 0.00 2.03 -1.26 -1.11 116.55 121.72 1ius n ASP 191 Ca -0.18 -2.93 -0.14 0.00 0.52 0.00 0.00 54.79 52.06 1ius n ASP 191 Cb 0.57 -1.47 -0.11 0.00 -0.72 0.00 0.00 41.12 39.39 1ius n ASP 191 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ius s THR 192 N 0.54 0.96 0.24 5.18 -4.23 -0.84 -4.87 115.64 112.62 1ius s THR 192 Ca 0.56 -1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.04 1ius s THR 192 Cb 0.17 -1.47 -0.09 0.00 1.34 0.00 0.00 72.50 72.44 1ius s THR 192 CO -0.07 -0.61 1.31 -2.84 -0.54 0.00 0.00 174.62 171.87 1ius s PRO 193 N -3.04 4.38 0.63 3.99 0.02 -1.26 -2.39 135.00 137.33 1ius s PRO 193 Ca 0.08 2.11 -0.18 0.00 0.02 0.00 0.00 61.00 63.03 1ius s PRO 193 Cb -0.01 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 1ius s PRO 193 CO -0.00 -0.23 1.23 -1.25 -0.33 0.00 0.00 177.00 176.41 1ius s PRO 194 N -0.59 2.75 0.16 5.54 0.04 -1.26 -4.63 135.00 137.01 1ius s PRO 194 Ca 0.55 1.87 0.21 0.00 0.04 0.00 0.00 61.00 63.67 1ius s PRO 194 Cb -0.38 -1.89 0.86 0.00 0.04 0.00 0.00 34.50 33.13 1ius s PRO 194 CO 0.42 -1.39 1.64 1.55 0.04 0.00 0.00 177.00 179.26 1ius n VAL 195 N -1.84 0.84 -3.73 -0.36 3.14 -1.26 -4.82 118.33 110.31 1ius n VAL 195 Ca 0.14 0.20 -0.10 0.00 -2.96 0.00 0.00 64.34 61.62 1ius n VAL 195 Cb 0.49 -1.05 -0.06 0.00 -1.06 0.00 0.00 33.84 32.16 1ius n VAL 195 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ius s SER 196 N -3.82 -0.10 0.08 6.55 0.15 -1.26 -4.94 113.70 110.36 1ius s SER 196 Ca 0.06 -0.41 0.27 0.00 0.70 0.00 0.00 55.95 56.57 1ius s SER 196 Cb 0.10 0.41 0.99 0.00 -1.71 0.00 0.00 66.02 65.81 1ius s SER 196 CO 0.37 -0.78 1.81 1.41 1.20 0.00 0.00 173.24 177.25 1ius n HIS 197 N -0.06 0.35 -4.30 3.44 -0.00 -1.26 -4.80 115.22 108.59 1ius n HIS 197 Ca -0.16 0.10 -0.16 0.00 -0.00 0.00 0.00 57.72 57.50 1ius n HIS 197 Cb 0.63 -0.64 -0.10 0.00 -0.00 0.00 0.00 29.99 29.88 1ius n HIS 197 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1ius s GLU 198 N -3.04 1.20 0.50 -0.41 2.02 -1.26 -5.04 118.70 112.66 1ius s GLU 198 Ca 0.12 -1.54 -0.21 0.00 0.02 0.00 0.00 54.97 53.36 1ius s GLU 198 Cb 0.16 -0.81 -0.07 0.00 0.10 0.00 0.00 34.13 33.52 1ius s GLU 198 CO 0.58 0.09 1.14 -0.51 0.02 0.00 0.00 175.26 176.58 1ius s LEU 199 N -3.24 3.89 -0.16 1.80 1.02 -1.26 -4.86 118.68 115.86 1ius s LEU 199 Ca 0.20 2.23 -0.00 0.00 0.02 0.00 0.00 54.13 56.58 1ius s LEU 199 Cb 0.02 -4.41 0.04 0.00 0.02 0.00 0.00 46.19 41.86 1ius s LEU 199 CO 0.04 -1.04 -0.05 -0.63 0.02 0.00 0.00 176.35 174.68 1ius s ILE 200 N -1.67 1.11 -0.19 -0.59 1.01 -0.99 -0.25 121.20 119.64 1ius s ILE 200 Ca 0.68 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 1ius s ILE 200 Cb -0.26 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1ius s ILE 200 CO 0.30 0.14 0.23 -0.31 0.00 0.00 0.00 174.94 175.30 1ius s TYR 201 N 1.63 3.41 -0.10 3.97 1.51 0.39 -1.23 117.35 126.94 1ius s TYR 201 Ca 0.01 0.45 0.02 0.00 -1.01 0.00 0.00 57.07 56.54 1ius s TYR 201 Cb -0.15 -2.29 0.01 0.00 -0.11 0.00 0.00 41.96 39.42 1ius s TYR 201 CO -0.08 0.20 -0.16 0.00 -1.11 0.00 0.00 175.55 174.41 1ius s ALA 202 N 0.61 1.67 -0.27 3.71 0.00 0.58 -0.46 121.76 127.60 1ius s ALA 202 Ca 0.12 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 1ius s ALA 202 Cb -0.13 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1ius s ALA 202 CO 0.02 -0.01 0.18 1.21 0.00 0.00 0.00 175.76 177.16 1ius s ASN 203 N 0.88 6.01 0.08 0.00 3.84 -0.00 -2.17 114.94 123.57 1ius s ASN 203 Ca -0.09 -0.00 0.03 0.00 0.21 0.00 0.00 52.86 53.01 1ius s ASN 203 Cb -0.15 -2.11 -0.03 0.00 -0.55 0.00 0.00 41.25 38.40 1ius s ASN 203 CO 0.00 -0.03 -0.09 -2.28 -2.79 0.00 0.00 177.10 171.91 1ius s HIS 204 N 1.67 0.92 0.48 0.43 2.46 -1.22 -4.24 115.29 115.78 1ius s HIS 204 Ca 0.07 -0.67 0.18 0.00 0.47 0.00 0.00 55.06 55.12 1ius s HIS 204 Cb -0.16 -0.52 1.18 0.00 -0.13 0.00 0.00 32.58 32.96 1ius s HIS 204 CO 0.10 -0.06 2.00 -1.35 -2.47 0.00 0.00 174.74 172.97 1ius h PRO 205 N 3.71 0.21 0.00 2.88 0.11 -1.96 -0.94 132.00 136.00 1ius h PRO 205 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1ius h PRO 205 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ius h PRO 205 CO 0.52 0.14 0.00 0.54 -0.21 0.00 0.00 178.00 178.99 1ius n ARG 206 N -4.45 0.20 0.00 1.05 1.74 -1.26 -4.98 116.66 108.97 1ius n ARG 206 Ca 0.08 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1ius n ARG 206 Cb 0.42 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1ius n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ius n GLY 207 N 0.69 2.96 3.76 -0.13 0.00 -0.36 -5.00 105.19 107.11 1ius n GLY 207 Ca 0.04 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1ius n GLY 207 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ius s PHE 208 N -2.01 2.51 -0.00 1.61 5.36 -1.26 -3.42 117.98 120.76 1ius s PHE 208 Ca 0.00 1.53 -0.12 0.00 -0.96 0.00 0.00 56.93 57.38 1ius s PHE 208 Cb 0.00 -3.38 0.02 0.00 -0.34 0.00 0.00 43.02 39.32 1ius s PHE 208 CO 0.00 -1.92 0.26 0.00 -1.46 0.00 0.00 175.22 172.09 1ius s ALA 209 N -1.74 -0.63 -0.09 11.12 0.00 -0.92 -0.22 121.76 129.27 1ius s ALA 209 Ca 0.75 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 1ius s ALA 209 Cb -0.27 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1ius s ALA 209 CO 0.32 -0.27 0.21 -1.17 0.00 0.00 0.00 175.76 174.85 1ius s LEU 210 N -1.46 0.36 -0.37 0.00 2.96 -0.57 -0.31 118.68 119.29 1ius s LEU 210 Ca -0.13 0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 1ius s LEU 210 Cb -0.05 0.57 0.02 0.00 0.50 0.00 0.00 46.19 47.23 1ius s LEU 210 CO 0.02 -0.18 0.20 0.00 -1.32 0.00 0.00 176.35 175.08 1ius n SER 212 N 5.00 2.07 -3.93 0.00 2.88 0.14 -2.36 113.62 117.43 1ius n SER 212 Ca -0.12 -1.53 -0.09 0.00 -1.33 0.00 0.00 58.87 55.80 1ius n SER 212 Cb 0.47 0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 1ius n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ius s GLN 213 N -2.43 1.50 0.00 -1.46 -2.07 -1.26 -2.13 119.66 111.82 1ius s GLN 213 Ca 0.01 -1.14 0.00 0.00 -1.82 0.00 0.00 55.36 52.41 1ius s GLN 213 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 1ius s GLN 213 CO 0.01 -0.63 0.00 0.54 -1.32 0.00 0.00 175.29 173.89 1ius n ARG 214 N -0.36 1.52 -0.85 9.60 5.12 0.41 -4.70 116.66 127.40 1ius n ARG 214 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1ius n ARG 214 Cb 0.62 -0.83 0.00 0.00 -1.16 0.00 0.00 32.46 31.09 1ius n ARG 214 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1ius n SER 215 N -1.78 0.00 0.03 0.55 3.41 -1.08 -4.66 113.62 110.08 1ius n SER 215 Ca 0.00 -0.83 0.12 0.00 -0.26 0.00 0.00 58.87 57.90 1ius n SER 215 Cb 0.33 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.79 1ius n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ius n ALA 216 N -3.00 2.15 -0.26 7.33 0.00 -1.26 -3.03 120.51 122.44 1ius n ALA 216 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1ius n ALA 216 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.04 1ius n ALA 216 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ius n THR 217 N -1.70 0.86 -3.91 0.00 -2.24 -1.26 -4.37 114.28 101.64 1ius n THR 217 Ca 0.06 -0.88 -0.21 0.00 -2.27 0.00 0.00 64.05 60.75 1ius n THR 217 Cb 0.32 0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 68.93 1ius n THR 217 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ius s ARG 218 N -0.91 0.62 0.21 -0.78 3.52 -1.11 -1.99 118.95 118.50 1ius s ARG 218 Ca 0.02 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.74 1ius s ARG 218 Cb 0.02 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.52 1ius s ARG 218 CO 0.00 -0.21 0.00 -1.12 -0.81 0.00 0.00 175.30 173.17 1ius s SER 219 N 1.50 4.70 -0.05 -2.12 0.01 -0.27 -0.44 113.70 117.03 1ius s SER 219 Ca -0.02 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 1ius s SER 219 Cb -0.13 -0.96 0.03 0.00 0.21 0.00 0.00 66.02 65.17 1ius s SER 219 CO -0.03 0.06 0.03 -0.60 0.41 0.00 0.00 173.24 173.11 1ius s ARG 220 N -3.21 0.22 0.14 12.44 6.06 -0.90 -1.58 118.95 132.12 1ius s ARG 220 Ca 0.29 0.24 0.09 0.00 -2.50 0.00 0.00 55.73 53.85 1ius s ARG 220 Cb -0.08 -0.68 -0.04 0.00 0.06 0.00 0.00 34.95 34.21 1ius s ARG 220 CO 0.19 -0.30 -0.20 0.71 -2.50 0.00 0.00 175.30 173.20 1ius s TYR 221 N 1.96 1.87 0.02 5.12 2.02 -0.66 0.23 117.35 127.91 1ius s TYR 221 Ca 0.03 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1ius s TYR 221 Cb -0.12 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1ius s TYR 221 CO -0.04 0.29 -0.03 0.71 -1.57 0.00 0.00 175.55 174.91 1ius s TYR 222 N -1.60 0.30 0.00 2.71 2.02 -0.73 -0.45 117.35 119.61 1ius s TYR 222 Ca 0.12 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 1ius s TYR 222 Cb -0.08 -0.20 -0.01 0.00 -0.40 0.00 0.00 41.96 41.27 1ius s TYR 222 CO 0.06 -0.15 -0.05 0.14 -1.57 0.00 0.00 175.55 173.98 1ius s VAL 223 N -1.26 0.36 0.30 0.71 -7.23 -0.08 -1.52 120.40 111.68 1ius s VAL 223 Ca -0.13 -0.35 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 1ius s VAL 223 Cb -0.09 -0.34 -0.10 0.00 0.56 0.00 0.00 36.38 36.42 1ius s VAL 223 CO -0.01 0.00 1.34 -1.58 -0.31 0.00 0.00 175.10 174.54 1ius s GLN 224 N -0.38 4.34 -0.01 4.82 0.74 0.70 -0.91 119.66 128.95 1ius s GLN 224 Ca -0.01 2.22 -0.05 0.00 0.05 0.00 0.00 55.36 57.57 1ius s GLN 224 Cb -0.03 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.99 1ius s GLN 224 CO -0.00 -0.25 0.11 0.54 -0.55 0.00 0.00 175.29 175.14 1ius s VAL 225 N -0.78 0.06 0.87 1.34 0.11 0.69 -4.76 120.40 117.93 1ius s VAL 225 Ca 0.52 -0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1ius s VAL 225 Cb -0.40 -0.32 0.12 0.00 -1.53 0.00 0.00 36.38 34.25 1ius s VAL 225 CO 0.50 -0.26 1.14 -2.84 -3.33 0.00 0.00 175.10 170.31 1ius s PRO 226 N -0.86 1.34 0.35 1.54 0.02 -1.26 0.36 135.00 136.49 1ius s PRO 226 Ca -0.09 1.51 0.08 0.00 0.02 0.00 0.00 61.00 62.52 1ius s PRO 226 Cb -0.05 -1.77 0.64 0.00 0.02 0.00 0.00 34.50 33.34 1ius s PRO 226 CO 0.01 -2.39 1.82 -0.07 -0.33 0.00 0.00 177.00 176.04 1ius h LEU 227 N -1.59 0.22 0.00 -5.54 -0.00 -1.90 -2.99 115.31 103.51 1ius h LEU 227 Ca -0.44 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1ius h LEU 227 Cb 1.26 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1ius h LEU 227 CO 0.44 0.49 0.00 -1.54 -0.00 0.00 0.00 178.44 177.83 1ius n SER 228 N -4.16 0.00 -4.77 -0.43 3.41 -1.26 -4.84 113.62 101.57 1ius n SER 228 Ca -0.01 0.26 -0.40 0.00 -0.26 0.00 0.00 58.87 58.45 1ius n SER 228 Cb 0.36 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1ius n SER 228 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ius s GLU 229 N -2.73 4.44 -0.06 4.33 0.41 -1.13 -5.03 118.70 118.93 1ius s GLU 229 Ca 0.09 2.06 0.04 0.00 -0.41 0.00 0.00 54.97 56.75 1ius s GLU 229 Cb 0.08 -3.09 -0.02 0.00 -1.78 0.00 0.00 34.13 29.31 1ius s GLU 229 CO 0.19 -0.06 -0.16 0.15 -0.49 0.00 0.00 175.26 174.89 1ius s LYS 230 N -1.70 2.59 0.33 1.61 1.02 -1.26 -5.03 119.74 117.30 1ius s LYS 230 Ca 0.48 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.74 1ius s LYS 230 Cb -0.37 -2.36 0.57 0.00 -0.52 0.00 0.00 37.83 35.16 1ius s LYS 230 CO 0.48 0.54 1.98 -0.24 -0.92 0.00 0.00 175.35 177.19 1ius h VAL 231 N 4.57 1.18 0.00 3.17 3.04 -1.96 -1.72 116.25 124.54 1ius h VAL 231 Ca -0.42 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 1ius h VAL 231 Cb 1.16 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1ius h VAL 231 CO 0.50 0.18 0.00 -1.84 -1.01 0.00 0.00 177.57 175.41 1ius n GLU 232 N -4.41 0.11 0.08 4.17 0.00 -1.26 -0.83 120.64 118.49 1ius n GLU 232 Ca 0.07 0.53 0.13 0.00 0.00 0.00 0.00 57.16 57.88 1ius n GLU 232 Cb 0.06 -1.80 0.40 0.00 0.00 0.00 0.00 31.44 30.10 1ius n GLU 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ius n ASP 233 N -2.02 0.65 -4.15 -1.84 8.00 -0.64 -4.66 116.55 111.88 1ius n ASP 233 Ca 0.00 0.47 -0.38 0.00 0.71 0.00 0.00 54.79 55.58 1ius n ASP 233 Cb 0.08 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 40.52 1ius n ASP 233 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ius s TRP 234 N -3.09 3.50 0.75 1.24 0.52 -0.01 -5.05 118.94 116.79 1ius s TRP 234 Ca 0.11 -2.33 -0.11 0.00 0.02 0.00 0.00 56.10 53.79 1ius s TRP 234 Cb 0.14 -3.34 0.04 0.00 -1.15 0.00 0.00 33.47 29.16 1ius s TRP 234 CO 0.61 -0.94 1.09 -1.54 0.02 0.00 0.00 176.95 176.19 1ius s SER 235 N 1.74 4.73 0.23 2.95 1.04 -1.26 -4.84 113.70 118.28 1ius s SER 235 Ca 0.11 1.80 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 1ius s SER 235 Cb -0.22 -2.52 0.34 0.00 0.10 0.00 0.00 66.02 63.72 1ius s SER 235 CO -0.03 -1.89 1.79 0.44 0.98 0.00 0.00 173.24 174.53 1ius h ASP 236 N -0.94 0.52 -0.63 7.02 3.32 -1.98 -1.42 116.42 122.32 1ius h ASP 236 Ca -0.44 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 1ius h ASP 236 Cb 1.23 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1ius h ASP 236 CO 0.53 0.30 0.21 1.05 -1.72 0.00 0.00 179.24 179.61 1ius h GLU 237 N 0.66 1.00 -0.66 3.56 4.11 -1.95 -0.84 114.58 120.46 1ius h GLU 237 Ca 0.35 -0.20 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 1ius h GLU 237 Cb 0.34 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1ius h GLU 237 CO -0.25 0.85 0.12 -0.09 0.07 0.00 0.00 179.01 179.71 1ius h ARG 238 N 0.97 1.08 -0.22 1.06 2.43 -1.71 -1.74 114.38 116.25 1ius h ARG 238 Ca 0.22 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1ius h ARG 238 Cb 0.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1ius h ARG 238 CO -0.01 0.98 0.11 0.35 -1.51 0.00 0.00 179.97 179.89 1ius h PHE 239 N 1.01 0.32 -0.74 2.20 3.04 -0.45 -0.77 116.94 121.56 1ius h PHE 239 Ca 0.20 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 1ius h PHE 239 Cb 0.42 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1ius h PHE 239 CO 0.03 0.31 0.28 -1.49 -2.02 0.00 0.00 178.31 175.42 1ius h TRP 240 N 0.23 1.12 -0.48 0.41 -0.00 -0.95 0.16 115.95 116.45 1ius h TRP 240 Ca 0.08 -0.08 -0.07 0.00 -0.00 0.00 0.00 58.89 58.81 1ius h TRP 240 Cb 0.11 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 28.92 1ius h TRP 240 CO -0.03 0.85 0.01 1.15 -0.00 0.00 0.00 178.44 180.43 1ius h THR 241 N 1.07 1.26 -0.08 1.49 2.02 -1.17 -0.91 112.91 116.59 1ius h THR 241 Ca 0.25 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1ius h THR 241 Cb 0.22 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1ius h THR 241 CO -0.02 0.36 0.00 -0.08 0.37 0.00 0.00 175.52 176.16 1ius h GLU 242 N 0.69 0.14 -0.78 6.66 4.57 -0.72 -1.43 114.58 123.70 1ius h GLU 242 Ca 0.14 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 1ius h GLU 242 Cb 0.49 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 1ius h GLU 242 CO 0.02 0.40 0.49 1.25 -1.18 0.00 0.00 179.01 179.99 1ius h LEU 243 N -0.13 0.81 -1.19 1.64 7.12 -0.63 -1.31 115.31 121.63 1ius h LEU 243 Ca 0.02 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.95 1ius h LEU 243 Cb 0.33 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1ius h LEU 243 CO 0.00 0.55 -0.32 0.11 -0.13 0.00 0.00 178.44 178.66 1ius h LYS 244 N 0.95 0.15 0.00 1.25 1.57 -1.04 -2.60 116.57 116.85 1ius h LYS 244 Ca 0.32 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1ius h LYS 244 Cb 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ius h LYS 244 CO -0.12 0.46 -0.10 0.00 -0.57 0.00 0.00 179.45 179.11 1ius h ALA 245 N 1.55 0.99 -0.00 3.86 0.00 -0.12 -3.15 119.26 122.38 1ius h ALA 245 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ius h ALA 245 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ius h ALA 245 CO 0.05 0.13 -0.62 0.54 0.00 0.00 0.00 179.25 179.34 1ius n ARG 246 N -3.19 0.39 -3.81 0.00 1.74 -0.99 -4.96 116.66 105.82 1ius n ARG 246 Ca 0.01 -0.28 -0.22 0.00 -0.77 0.00 0.00 57.85 56.59 1ius n ARG 246 Cb 0.42 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1ius n ARG 246 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ius s LEU 247 N -2.81 4.24 0.34 0.55 1.43 -1.14 -4.72 118.68 116.57 1ius s LEU 247 Ca 0.14 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.10 1ius s LEU 247 Cb 0.17 -2.96 -0.10 0.00 0.03 0.00 0.00 46.19 43.33 1ius s LEU 247 CO 0.70 -0.14 1.35 -2.84 0.23 0.00 0.00 176.35 175.66 1ius s PRO 248 N -4.07 4.30 0.28 1.29 0.02 -1.26 -4.80 135.00 130.76 1ius s PRO 248 Ca 0.36 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.69 1ius s PRO 248 Cb -0.09 -3.05 0.65 0.00 0.02 0.00 0.00 34.50 32.02 1ius s PRO 248 CO 0.31 -0.28 1.72 0.66 -0.33 0.00 0.00 177.00 179.09 1ius h SER 249 N 3.40 0.42 0.54 2.53 4.64 -1.97 -0.22 113.55 122.88 1ius h SER 249 Ca -0.49 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1ius h SER 249 Cb 1.23 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1ius h SER 249 CO 0.66 0.09 0.00 -1.84 -0.87 0.00 0.00 176.83 174.87 1ius n GLU 250 N -4.97 0.18 -0.06 4.77 0.00 -1.26 -1.81 120.64 117.49 1ius n GLU 250 Ca 0.20 0.48 -0.20 0.00 0.00 0.00 0.00 57.16 57.64 1ius n GLU 250 Cb 0.56 -1.90 -0.13 0.00 0.00 0.00 0.00 31.44 29.97 1ius n GLU 250 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ius n VAL 251 N -2.26 1.64 0.23 3.84 0.31 -0.17 -4.26 118.33 117.67 1ius n VAL 251 Ca 0.01 -0.58 0.07 0.00 -0.01 0.00 0.00 64.34 63.83 1ius n VAL 251 Cb 0.18 -1.62 0.56 0.00 -0.91 0.00 0.00 33.84 32.05 1ius n VAL 251 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ius h ALA 252 N -0.02 1.55 -0.69 3.52 0.00 -1.08 -3.01 119.26 119.52 1ius h ALA 252 Ca -0.50 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1ius h ALA 252 Cb 1.93 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1ius h ALA 252 CO -0.02 0.23 0.18 0.93 0.00 0.00 0.00 179.25 180.57 1ius h GLU 253 N 0.00 1.09 -0.59 0.00 5.08 -1.54 -3.14 114.58 115.49 1ius h GLU 253 Ca -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1ius h GLU 253 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ius h GLU 253 CO 0.02 0.95 0.00 0.36 -1.00 0.00 0.00 179.01 179.34 1ius n LYS 254 N -4.24 2.42 -2.41 2.33 2.85 -1.14 -4.94 118.16 113.03 1ius n LYS 254 Ca 0.05 -2.11 -0.42 0.00 -1.05 0.00 0.00 58.31 54.78 1ius n LYS 254 Cb 0.25 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1ius n LYS 254 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1ius s LEU 255 N -1.05 4.30 -0.33 -5.58 0.20 -1.19 -4.89 118.68 110.14 1ius s LEU 255 Ca 0.39 1.91 -0.14 0.00 0.69 0.00 0.00 54.13 56.98 1ius s LEU 255 Cb 0.21 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 42.39 1ius s LEU 255 CO 0.26 -0.59 0.30 -0.69 -0.29 0.00 0.00 176.35 175.34 1ius s VAL 256 N 2.03 5.23 0.63 1.68 1.01 -1.26 -5.07 120.40 124.64 1ius s VAL 256 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1ius s VAL 256 Cb -0.27 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.44 1ius s VAL 256 CO 0.24 -0.01 0.88 0.42 0.00 0.00 0.00 175.10 176.63 1ius s THR 257 N 1.88 2.41 0.00 3.92 -4.23 -1.26 -4.76 115.64 113.60 1ius s THR 257 Ca 0.09 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1ius s THR 257 Cb -0.17 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1ius s THR 257 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1ius n GLY 258 N -2.57 0.22 3.76 3.99 0.00 -1.26 -4.97 105.19 104.36 1ius n GLY 258 Ca 0.11 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1ius n GLY 258 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ius s PRO 259 N -2.00 4.35 0.31 1.61 0.04 -1.26 -4.98 135.00 133.07 1ius s PRO 259 Ca 0.00 2.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 1ius s PRO 259 Cb 0.00 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.35 1ius s PRO 259 CO 0.00 -0.23 1.14 -1.54 0.04 0.00 0.00 177.00 176.41 1ius s SER 260 N -0.26 7.05 0.02 6.66 1.04 -1.26 -4.41 113.70 122.54 1ius s SER 260 Ca 0.51 2.35 0.17 0.00 0.48 0.00 0.00 55.95 59.46 1ius s SER 260 Cb -0.40 -2.63 -0.17 0.00 0.10 0.00 0.00 66.02 62.93 1ius s SER 260 CO 0.50 -0.30 0.71 0.18 0.98 0.00 0.00 173.24 175.30 1ius n LEU 261 N 0.90 0.70 -3.60 2.42 4.77 0.14 -4.94 117.00 117.39 1ius n LEU 261 Ca 0.00 0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1ius n LEU 261 Cb 0.45 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1ius n LEU 261 CO 0.54 0.19 0.36 -0.70 -1.33 0.00 0.00 177.39 176.45 1ius s GLU 262 N -2.90 0.89 -0.12 3.23 -6.30 -1.21 -4.99 118.70 107.30 1ius s GLU 262 Ca -0.04 0.52 -0.06 0.00 -2.50 0.00 0.00 54.97 52.89 1ius s GLU 262 Cb 0.09 0.42 0.05 0.00 0.00 0.00 0.00 34.13 34.69 1ius s GLU 262 CO 0.82 -0.21 0.28 0.21 0.02 0.00 0.00 175.26 176.38 1ius s LYS 263 N -0.50 0.23 0.21 4.30 2.20 -1.26 -1.24 119.74 123.68 1ius s LYS 263 Ca -0.06 0.60 -0.19 0.00 -0.36 0.00 0.00 55.97 55.96 1ius s LYS 263 Cb -0.03 -0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.23 1ius s LYS 263 CO 0.05 -0.18 0.57 -1.54 -0.36 0.00 0.00 175.35 173.90 1ius s SER 264 N 1.43 -0.30 -0.10 1.43 1.04 -1.02 -5.02 113.70 111.16 1ius s SER 264 Ca -0.08 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1ius s SER 264 Cb -0.10 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1ius s SER 264 CO -0.09 -1.10 -0.19 -0.63 0.98 0.00 0.00 173.24 172.20 1ius s ILE 265 N -3.87 1.74 -0.14 -1.02 1.01 -1.26 -1.11 121.20 116.55 1ius s ILE 265 Ca 0.09 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1ius s ILE 265 Cb -0.02 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1ius s ILE 265 CO -0.02 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.19 1ius s ALA 266 N 0.60 2.25 0.44 9.38 0.00 0.44 -4.92 121.76 129.95 1ius s ALA 266 Ca -0.14 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.52 1ius s ALA 266 Cb -0.17 -0.99 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 1ius s ALA 266 CO 0.04 -0.01 1.01 -1.25 0.00 0.00 0.00 175.76 175.56 1ius s PRO 267 N 0.78 4.04 -0.02 0.00 0.04 -1.26 0.64 135.00 139.22 1ius s PRO 267 Ca -0.08 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1ius s PRO 267 Cb -0.16 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1ius s PRO 267 CO -0.01 -0.22 0.47 -0.51 0.04 0.00 0.00 177.00 176.77 1ius s LEU 268 N -3.11 4.43 0.03 -3.56 1.02 -1.04 -4.87 118.68 111.58 1ius s LEU 268 Ca 0.63 1.00 -0.18 0.00 0.02 0.00 0.00 54.13 55.60 1ius s LEU 268 Cb -0.16 -2.70 0.03 0.00 0.02 0.00 0.00 46.19 43.39 1ius s LEU 268 CO 0.20 0.22 0.40 -0.60 0.02 0.00 0.00 176.35 176.59 1ius s ARG 269 N -0.59 0.88 -0.06 1.70 3.52 -1.26 -2.69 118.95 120.46 1ius s ARG 269 Ca 0.26 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1ius s ARG 269 Cb -0.17 0.39 -0.00 0.00 -1.56 0.00 0.00 34.95 33.62 1ius s ARG 269 CO 0.14 -0.29 -0.18 -1.12 -0.81 0.00 0.00 175.30 173.03 1ius s SER 270 N -1.90 2.36 -0.19 -2.12 0.01 -0.37 -1.90 113.70 109.58 1ius s SER 270 Ca -0.06 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.66 1ius s SER 270 Cb -0.01 -0.83 0.06 0.00 0.21 0.00 0.00 66.02 65.45 1ius s SER 270 CO -0.01 0.14 0.48 0.12 0.41 0.00 0.00 173.24 174.38 1ius s PHE 271 N 0.20 -0.64 -0.06 2.43 2.19 0.35 -1.41 117.98 121.05 1ius s PHE 271 Ca -0.09 1.42 -0.05 0.00 0.33 0.00 0.00 56.93 58.54 1ius s PHE 271 Cb -0.14 0.28 0.02 0.00 -1.31 0.00 0.00 43.02 41.87 1ius s PHE 271 CO 0.04 -0.33 0.15 0.08 1.83 0.00 0.00 175.22 176.99 1ius s VAL 272 N 0.92 -0.01 -0.00 3.12 1.01 -0.09 -0.41 120.40 124.94 1ius s VAL 272 Ca -0.05 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1ius s VAL 272 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1ius s VAL 272 CO -0.08 0.01 -0.26 0.54 0.00 0.00 0.00 175.10 175.32 1ius s VAL 273 N 0.27 2.12 -0.05 2.92 0.11 -1.04 -0.92 120.40 123.82 1ius s VAL 273 Ca -0.02 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 1ius s VAL 273 Cb -0.03 -1.76 0.02 0.00 -1.53 0.00 0.00 36.38 33.09 1ius s VAL 273 CO -0.01 0.52 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.64 1ius s GLU 274 N -0.81 0.67 0.38 1.54 2.02 -0.39 -4.43 118.70 117.68 1ius s GLU 274 Ca 0.11 -0.02 -0.06 0.00 0.02 0.00 0.00 54.97 55.01 1ius s GLU 274 Cb -0.10 -0.78 0.09 0.00 0.10 0.00 0.00 34.13 33.43 1ius s GLU 274 CO 0.00 -0.14 0.49 -0.35 0.02 0.00 0.00 175.26 175.28 1ius n PRO 275 N 4.28 -0.61 -0.62 0.39 -0.04 -1.26 -1.06 135.00 136.08 1ius n PRO 275 Ca -0.22 -0.76 0.02 0.00 -0.04 0.00 0.00 63.50 62.51 1ius n PRO 275 Cb 0.51 -0.52 0.24 0.00 -0.04 0.00 0.00 33.50 33.68 1ius n PRO 275 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ius n MET 276 N -2.12 2.59 -3.63 0.54 2.81 -1.26 -4.91 117.12 111.14 1ius n MET 276 Ca 0.06 -2.97 -0.10 0.00 -1.81 0.00 0.00 57.70 52.87 1ius n MET 276 Cb 0.22 -1.87 -0.04 0.00 -0.71 0.00 0.00 33.22 30.82 1ius n MET 276 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1ius s GLN 277 N -2.99 1.23 -0.27 0.03 -2.07 -1.26 -0.46 119.66 113.87 1ius s GLN 277 Ca 0.44 -0.71 -0.03 0.00 -1.82 0.00 0.00 55.36 53.23 1ius s GLN 277 Cb 0.37 0.51 0.15 0.00 -1.09 0.00 0.00 33.01 32.96 1ius s GLN 277 CO 0.06 -0.51 0.51 -1.58 -1.32 0.00 0.00 175.29 172.45 1ius s HIS 278 N -3.82 -1.22 0.00 9.60 2.46 -0.03 -5.01 115.29 117.27 1ius s HIS 278 Ca 0.05 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.06 1ius s HIS 278 Cb 0.00 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.84 1ius s HIS 278 CO -0.09 -0.75 0.00 0.41 -2.47 0.00 0.00 174.74 171.84 1ius n GLY 279 N 5.41 4.14 1.88 1.59 0.00 -1.26 -0.88 105.19 116.07 1ius n GLY 279 Ca -0.04 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1ius n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ius n ARG 280 N 13.01 4.71 -4.58 1.61 1.74 -0.35 -4.86 116.66 127.93 1ius n ARG 280 Ca 0.00 -3.16 -0.33 0.00 -0.77 0.00 0.00 57.85 53.59 1ius n ARG 280 Cb 0.00 -2.25 -0.13 0.00 -1.02 0.00 0.00 32.46 29.06 1ius n ARG 280 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1ius s LEU 281 N -2.81 3.00 -0.09 0.55 2.96 -0.06 -0.69 118.68 121.55 1ius s LEU 281 Ca 0.54 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1ius s LEU 281 Cb 0.42 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 45.42 1ius s LEU 281 CO 0.15 0.18 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.86 1ius s PHE 282 N 0.30 1.74 0.15 5.38 0.40 -0.57 -0.85 117.98 124.52 1ius s PHE 282 Ca -0.07 -0.74 -0.14 0.00 -0.60 0.00 0.00 56.93 55.38 1ius s PHE 282 Cb -0.15 -1.27 -0.07 0.00 0.51 0.00 0.00 43.02 42.05 1ius s PHE 282 CO 0.04 -0.39 0.55 -0.51 0.70 0.00 0.00 175.22 175.62 1ius s LEU 283 N 0.86 4.34 -0.03 -0.37 1.43 0.40 -0.21 118.68 125.10 1ius s LEU 283 Ca -0.10 1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 1ius s LEU 283 Cb -0.15 -3.26 0.01 0.00 0.03 0.00 0.00 46.19 42.81 1ius s LEU 283 CO 0.01 0.11 0.18 0.00 0.23 0.00 0.00 176.35 176.87 1ius s ALA 284 N -1.46 -0.43 0.00 4.21 0.00 -0.45 -4.86 121.76 118.77 1ius s ALA 284 Ca 0.38 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1ius s ALA 284 Cb -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1ius s ALA 284 CO 0.19 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1ius n GLY 285 N 2.08 0.68 0.12 0.00 0.00 -1.26 -3.24 105.19 103.57 1ius n GLY 285 Ca -0.18 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.11 1ius n GLY 285 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ius n ASP 286 N -0.33 0.36 0.19 1.61 9.92 -1.26 -0.38 116.55 126.66 1ius n ASP 286 Ca 0.00 0.63 0.07 0.00 -0.53 0.00 0.00 54.79 54.95 1ius n ASP 286 Cb 0.00 -0.65 0.33 0.00 -0.64 0.00 0.00 41.12 40.16 1ius n ASP 286 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ius h ALA 287 N 1.76 0.96 0.00 2.24 0.00 -1.61 -2.58 119.26 120.02 1ius h ALA 287 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1ius h ALA 287 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ius h ALA 287 CO 0.00 0.42 -1.73 0.00 0.00 0.00 0.00 179.25 177.94 1ius n ALA 288 N -2.26 2.31 -3.58 0.00 0.00 0.48 -4.75 120.51 112.71 1ius n ALA 288 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1ius n ALA 288 Cb 0.52 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 1ius n ALA 288 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ius s HIS 289 N -2.83 -0.53 -0.02 0.00 0.00 -0.99 -2.48 115.29 108.44 1ius s HIS 289 Ca -0.06 1.06 0.06 0.00 -3.00 0.00 0.00 55.06 53.13 1ius s HIS 289 Cb 0.08 0.40 -0.01 0.00 -4.00 0.00 0.00 32.58 29.04 1ius s HIS 289 CO 0.59 -0.40 -0.21 0.42 -1.00 0.00 0.00 174.74 174.15 1ius s ILE 290 N -0.64 1.64 0.04 -5.38 -1.09 0.45 -4.01 121.20 112.21 1ius s ILE 290 Ca -0.03 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.56 1ius s ILE 290 Cb -0.02 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.47 1ius s ILE 290 CO 0.02 0.47 -0.16 0.68 -1.23 0.00 0.00 174.94 174.71 1ius s VAL 291 N -0.43 1.31 0.53 2.92 -7.23 -1.25 -0.49 120.40 115.76 1ius s VAL 291 Ca 0.06 -1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.96 1ius s VAL 291 Cb -0.09 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1ius s VAL 291 CO -0.00 0.07 1.21 -2.16 -0.31 0.00 0.00 175.10 173.91 1ius s PRO 292 N -1.16 3.32 0.67 4.82 0.04 -0.80 -4.77 135.00 137.13 1ius s PRO 292 Ca 0.04 1.84 0.39 0.00 0.04 0.00 0.00 61.00 63.31 1ius s PRO 292 Cb -0.08 -2.16 2.11 0.00 0.04 0.00 0.00 34.50 34.42 1ius s PRO 292 CO 0.01 -0.93 2.19 -1.35 0.04 0.00 0.00 177.00 176.97 1ius h PRO 293 N 1.42 0.00 -1.07 0.56 0.11 -1.94 -3.31 132.00 127.78 1ius h PRO 293 Ca -0.50 0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.90 1ius h PRO 293 Cb 1.28 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 1ius h PRO 293 CO 0.57 0.00 0.66 1.15 -0.21 0.00 0.00 178.00 180.18 1ius h THR 294 N 0.00 0.44 -0.01 -1.15 2.02 -1.90 -0.33 112.91 111.98 1ius h THR 294 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ius h THR 294 Cb 0.27 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1ius h THR 294 CO -0.00 0.07 -0.28 0.61 0.37 0.00 0.00 175.52 176.29 1ius n GLY 295 N -1.42 -0.07 3.61 2.16 0.00 -1.25 -4.90 105.19 103.32 1ius n GLY 295 Ca 0.28 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1ius n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ius n ALA 296 N -0.04 -1.79 0.49 4.61 0.00 -0.13 -4.92 120.51 118.72 1ius n ALA 296 Ca 0.12 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1ius n ALA 296 Cb 0.43 -3.12 -0.08 0.00 0.00 0.00 0.00 19.45 16.67 1ius n ALA 296 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ius n LYS 297 N -4.41 2.03 0.05 0.00 4.76 -1.26 -4.64 118.16 114.68 1ius n LYS 297 Ca -0.19 -0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.15 1ius n LYS 297 Cb 0.63 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.60 1ius n LYS 297 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1ius h GLY 298 N 3.04 -1.18 1.70 0.72 0.00 -1.89 0.29 103.07 105.76 1ius h GLY 298 Ca 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 47.33 47.84 1ius h GLY 298 CO 0.00 -0.38 -0.07 -2.00 0.00 0.00 0.00 176.54 174.08 1ius h LEU 299 N -0.30 0.35 -0.70 3.11 5.85 -1.93 -2.72 115.31 118.97 1ius h LEU 299 Ca -0.00 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 1ius h LEU 299 Cb 0.29 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ius h LEU 299 CO -0.10 0.47 -0.32 0.78 -0.34 0.00 0.00 178.44 178.93 1ius h ASN 300 N 0.35 0.67 0.06 1.25 2.35 -1.74 -1.90 115.58 116.63 1ius h ASN 300 Ca 0.07 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.43 1ius h ASN 300 Cb 0.36 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1ius h ASN 300 CO 0.02 0.95 -0.42 -0.07 -1.65 0.00 0.00 177.43 176.26 1ius h LEU 301 N 0.55 0.48 -0.70 1.61 3.38 -0.24 -2.54 115.31 117.85 1ius h LEU 301 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1ius h LEU 301 Cb 0.82 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1ius h LEU 301 CO 0.07 0.84 0.36 0.00 0.09 0.00 0.00 178.44 179.79 1ius h ALA 302 N 1.18 0.91 -0.18 1.53 0.00 -1.17 -0.04 119.26 121.49 1ius h ALA 302 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ius h ALA 302 Cb 0.89 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ius h ALA 302 CO 0.07 0.45 0.12 0.00 0.00 0.00 0.00 179.25 179.90 1ius h ALA 303 N 1.17 0.23 -0.52 0.00 0.00 -1.07 -0.74 119.26 118.34 1ius h ALA 303 Ca 0.24 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ius h ALA 303 Cb 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ius h ALA 303 CO -0.03 -0.28 0.05 0.66 0.00 0.00 0.00 179.25 179.64 1ius h SER 304 N 0.24 0.81 -0.43 0.00 4.64 -1.05 0.24 113.55 118.00 1ius h SER 304 Ca 0.07 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1ius h SER 304 Cb -0.02 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1ius h SER 304 CO -0.01 0.84 0.27 0.44 -0.87 0.00 0.00 176.83 177.50 1ius h ASP 305 N 0.80 0.50 -0.49 4.97 3.32 -0.69 -0.83 116.42 124.00 1ius h ASP 305 Ca 0.16 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1ius h ASP 305 Cb 0.41 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1ius h ASP 305 CO 0.01 0.39 0.22 0.58 -1.72 0.00 0.00 179.24 178.72 1ius h VAL 306 N 0.57 1.20 -0.30 -1.35 2.07 -0.67 0.11 116.25 117.88 1ius h VAL 306 Ca 0.15 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1ius h VAL 306 Cb -0.03 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1ius h VAL 306 CO -0.03 0.23 0.17 -1.28 0.02 0.00 0.00 177.57 176.67 1ius h SER 307 N 0.64 0.27 -0.15 0.57 0.87 -0.27 -0.82 113.55 114.66 1ius h SER 307 Ca 0.17 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1ius h SER 307 Cb 0.16 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1ius h SER 307 CO -0.02 0.20 0.07 0.74 -0.53 0.00 0.00 176.83 177.29 1ius h THR 308 N 0.35 1.13 -0.25 2.23 2.02 -0.96 -1.78 112.91 115.65 1ius h THR 308 Ca 0.12 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1ius h THR 308 Cb 0.01 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1ius h THR 308 CO -0.06 0.12 0.16 0.25 0.37 0.00 0.00 175.52 176.36 1ius h LEU 309 N 0.11 0.29 -0.10 2.58 5.85 -0.58 -2.14 115.31 121.32 1ius h LEU 309 Ca 0.05 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1ius h LEU 309 Cb 0.13 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1ius h LEU 309 CO -0.01 0.23 -0.02 0.22 -0.34 0.00 0.00 178.44 178.52 1ius h TYR 310 N 0.33 -0.04 -0.28 1.25 3.20 -1.08 0.15 116.97 120.50 1ius h TYR 310 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1ius h TYR 310 Cb -0.02 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1ius h TYR 310 CO -0.06 -0.03 0.06 0.00 -1.64 0.00 0.00 178.16 176.49 1ius h ARG 311 N 0.01 0.40 -0.08 1.82 3.08 -1.20 -0.17 114.38 118.24 1ius h ARG 311 Ca 0.05 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1ius h ARG 311 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ius h ARG 311 CO -0.10 0.38 -0.81 -0.07 -1.07 0.00 0.00 179.97 178.30 1ius h LEU 312 N 0.40 0.69 -0.92 3.04 3.38 -0.80 -2.57 115.31 118.53 1ius h LEU 312 Ca 0.10 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 1ius h LEU 312 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ius h LEU 312 CO -0.00 1.26 -0.15 -0.07 0.09 0.00 0.00 178.44 179.57 1ius h LEU 313 N 0.37 0.62 0.39 1.67 3.38 0.04 -1.26 115.31 120.52 1ius h LEU 313 Ca -0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1ius h LEU 313 Cb 1.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ius h LEU 313 CO 0.15 0.78 -0.19 0.25 0.09 0.00 0.00 178.44 179.53 1ius h LEU 314 N 0.57 -0.44 -0.72 1.67 6.46 -0.98 0.35 115.31 122.20 1ius h LEU 314 Ca 0.10 -0.00 0.15 0.00 -0.12 0.00 0.00 57.88 58.00 1ius h LEU 314 Cb 0.58 0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.52 1ius h LEU 314 CO 0.04 -0.29 0.21 0.11 -0.62 0.00 0.00 178.44 177.88 1ius h LYS 315 N -0.56 0.31 -0.40 1.25 1.79 -1.25 0.18 116.57 117.90 1ius h LYS 315 Ca -0.05 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 1ius h LYS 315 Cb 0.42 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1ius h LYS 315 CO 0.09 0.20 0.11 0.00 -1.08 0.00 0.00 179.45 178.77 1ius h ALA 316 N 1.57 0.52 0.00 3.86 0.00 -0.77 -1.10 119.26 123.35 1ius h ALA 316 Ca 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ius h ALA 316 Cb 0.66 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ius h ALA 316 CO -0.46 0.19 -0.14 1.88 0.00 0.00 0.00 179.25 180.72 1ius h TYR 317 N 0.50 0.00 -0.06 0.00 0.05 -0.25 -2.72 116.97 114.48 1ius h TYR 317 Ca 0.13 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.84 1ius h TYR 317 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1ius h TYR 317 CO 0.01 0.73 -0.24 -0.09 -1.05 0.00 0.00 178.16 177.53 1ius h ARG 318 N -1.00 0.27 -0.27 4.88 2.43 -0.81 -3.34 114.38 116.55 1ius h ARG 318 Ca -0.03 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1ius h ARG 318 Cb 0.74 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1ius h ARG 318 CO -0.02 0.84 0.00 0.39 -1.51 0.00 0.00 179.97 179.67 1ius n GLU 319 N -4.51 2.16 -1.73 0.20 1.02 -0.45 -4.95 120.64 112.38 1ius n GLU 319 Ca -0.08 -1.75 -0.20 0.00 -0.02 0.00 0.00 57.16 55.11 1ius n GLU 319 Cb 0.45 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 1ius n GLU 319 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ius n GLY 320 N 1.33 1.54 2.88 0.62 0.00 -0.99 -4.91 105.19 105.67 1ius n GLY 320 Ca 0.18 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ius n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ius n ARG 321 N -2.50 4.68 0.27 1.61 5.12 -1.01 -4.83 116.66 120.01 1ius n ARG 321 Ca -0.21 -4.48 0.18 0.00 -1.93 0.00 0.00 57.85 51.41 1ius n ARG 321 Cb 0.67 -2.53 0.82 0.00 -1.16 0.00 0.00 32.46 30.26 1ius n ARG 321 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1ius h GLY 322 N 5.30 0.00 2.00 -0.13 0.00 -1.84 -2.92 103.07 105.47 1ius h GLY 322 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1ius h GLY 322 CO 1.33 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.92 1ius h GLU 323 N 0.00 0.00 0.00 4.80 9.09 -1.97 -3.16 114.58 123.34 1ius h GLU 323 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1ius h GLU 323 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1ius h GLU 323 CO 0.00 0.00 -0.06 -0.07 0.05 0.00 0.00 179.01 178.93 1ius h LEU 324 N 0.00 0.00 -2.35 3.06 3.38 -1.89 -3.03 115.31 114.48 1ius h LEU 324 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ius h LEU 324 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ius h LEU 324 CO 0.00 0.06 -0.03 -0.07 0.09 0.00 0.00 178.44 178.49 1ius h LEU 325 N 0.00 0.00 -1.84 1.67 3.38 -1.77 -1.96 115.31 114.80 1ius h LEU 325 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ius h LEU 325 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ius h LEU 325 CO 0.01 0.03 0.00 -0.33 0.09 0.00 0.00 178.44 178.24 1ius h GLU 326 N 0.00 0.00 -0.00 1.13 5.08 -1.78 -2.61 114.58 116.39 1ius h GLU 326 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ius h GLU 326 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ius h GLU 326 CO 0.00 0.00 -0.18 0.54 -1.00 0.00 0.00 179.01 178.37 1ius n ARG 327 N -2.93 0.59 -0.07 2.33 1.74 -0.73 -4.43 116.66 113.15 1ius n ARG 327 Ca -0.00 -0.25 -0.12 0.00 -0.77 0.00 0.00 57.85 56.71 1ius n ARG 327 Cb 0.21 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1ius n ARG 327 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1ius h TYR 328 N 0.61 -1.33 -0.60 -1.55 3.20 -1.63 -1.69 116.97 113.97 1ius h TYR 328 Ca 0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1ius h TYR 328 Cb 0.42 0.62 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1ius h TYR 328 CO 0.00 -0.47 0.40 0.77 -1.64 0.00 0.00 178.16 177.22 1ius h SER 329 N -0.42 0.69 -0.97 -2.11 0.02 -1.84 -1.32 113.55 107.60 1ius h SER 329 Ca 0.10 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1ius h SER 329 Cb 0.61 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1ius h SER 329 CO -0.50 0.50 0.64 0.00 -1.14 0.00 0.00 176.83 176.32 1ius h ALA 330 N 1.22 1.27 -0.01 3.77 0.00 -1.74 -1.56 119.26 122.21 1ius h ALA 330 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ius h ALA 330 Cb -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.34 1ius h ALA 330 CO -0.05 0.55 -0.02 0.82 0.00 0.00 0.00 179.25 180.55 1ius h ILE 331 N 1.26 1.45 -0.67 0.00 2.04 -0.90 -3.25 117.51 117.44 1ius h ILE 331 Ca 0.38 -1.36 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 1ius h ILE 331 Cb -0.05 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1ius h ILE 331 CO -0.11 0.36 0.12 0.00 0.00 0.00 0.00 178.15 178.52 1ius h LEU 333 N 1.03 0.34 -0.26 0.00 3.38 -1.37 -0.81 115.31 117.62 1ius h LEU 333 Ca 0.21 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ius h LEU 333 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1ius h LEU 333 CO 0.01 0.23 0.15 0.03 0.09 0.00 0.00 178.44 178.94 1ius h ARG 334 N 0.39 0.36 -0.26 1.13 3.08 -1.57 -1.38 114.38 116.13 1ius h ARG 334 Ca 0.19 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 1ius h ARG 334 Cb 0.25 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1ius h ARG 334 CO -0.04 0.31 -0.54 -0.09 -1.07 0.00 0.00 179.97 178.54 1ius h ARG 335 N 0.31 0.77 -0.39 0.04 2.43 -1.54 -3.13 114.38 112.86 1ius h ARG 335 Ca 0.09 -0.48 0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1ius h ARG 335 Cb 0.05 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1ius h ARG 335 CO -0.02 1.11 0.22 0.82 -1.51 0.00 0.00 179.97 180.60 1ius h ILE 336 N 0.59 1.03 -0.62 1.20 2.04 -0.99 -1.48 117.51 119.28 1ius h ILE 336 Ca 0.01 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 1ius h ILE 336 Cb 1.13 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1ius h ILE 336 CO 0.11 0.08 0.06 -0.50 0.00 0.00 0.00 178.15 177.91 1ius h TRP 337 N 0.46 1.12 -0.43 1.37 4.06 -1.28 0.24 115.95 121.49 1ius h TRP 337 Ca 0.16 -0.16 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 1ius h TRP 337 Cb 0.02 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 1ius h TRP 337 CO -0.08 0.96 -0.13 0.87 -3.56 0.00 0.00 178.44 176.50 1ius h LYS 338 N 0.97 0.80 -0.22 0.49 1.57 -1.46 0.19 116.57 118.91 1ius h LYS 338 Ca 0.19 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 1ius h LYS 338 Cb 0.47 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ius h LYS 338 CO 0.02 0.89 -0.58 0.00 -0.57 0.00 0.00 179.45 179.21 1ius h ALA 339 N 1.13 0.57 -0.45 3.86 0.00 -0.85 -0.71 119.26 122.80 1ius h ALA 339 Ca 0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1ius h ALA 339 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ius h ALA 339 CO 0.04 0.69 0.20 0.93 0.00 0.00 0.00 179.25 181.12 1ius h GLU 340 N 0.52 0.66 -0.71 0.00 4.39 -0.27 -0.87 114.58 118.31 1ius h GLU 340 Ca 0.00 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1ius h GLU 340 Cb 1.16 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.65 1ius h GLU 340 CO 0.12 0.58 0.46 -0.09 -1.16 0.00 0.00 179.01 178.92 1ius h ARG 341 N 0.59 0.90 -0.30 2.33 2.43 -0.34 -0.37 114.38 119.62 1ius h ARG 341 Ca 0.15 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1ius h ARG 341 Cb 0.15 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1ius h ARG 341 CO -0.02 0.60 0.08 0.35 -1.51 0.00 0.00 179.97 179.47 1ius h PHE 342 N 0.93 0.49 -0.49 2.20 3.57 -0.90 -1.63 116.94 121.11 1ius h PHE 342 Ca 0.27 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1ius h PHE 342 Cb -0.07 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1ius h PHE 342 CO -0.03 0.53 0.14 0.77 -2.23 0.00 0.00 178.31 177.48 1ius h SER 343 N 0.32 0.67 -0.27 0.41 0.02 -0.85 -0.80 113.55 113.04 1ius h SER 343 Ca 0.09 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1ius h SER 343 Cb 0.28 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1ius h SER 343 CO -0.00 0.65 0.04 -0.25 -1.14 0.00 0.00 176.83 176.13 1ius h TRP 344 N 0.71 0.49 -0.13 3.45 7.01 -0.95 -0.74 115.95 125.78 1ius h TRP 344 Ca 0.16 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 1ius h TRP 344 Cb 0.23 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1ius h TRP 344 CO 0.01 0.57 0.07 2.35 -2.79 0.00 0.00 178.44 178.65 1ius h TRP 345 N 0.27 0.19 -0.39 2.65 7.01 -0.82 -0.27 115.95 124.59 1ius h TRP 345 Ca 0.08 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1ius h TRP 345 Cb 0.34 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1ius h TRP 345 CO 0.02 0.22 0.18 0.52 -2.79 0.00 0.00 178.44 176.60 1ius h MET 346 N 0.10 0.36 -0.60 2.65 2.86 -1.09 -2.00 114.93 117.21 1ius h MET 346 Ca 0.05 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1ius h MET 346 Cb 0.10 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1ius h MET 346 CO -0.01 0.24 0.37 1.15 1.06 0.00 0.00 176.91 179.73 1ius h THR 347 N 0.37 1.09 0.00 2.22 2.02 -0.87 -2.04 112.91 115.70 1ius h THR 347 Ca 0.17 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1ius h THR 347 Cb 0.09 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1ius h THR 347 CO -0.13 0.14 -0.40 0.77 0.37 0.00 0.00 175.52 176.27 1ius h SER 348 N 0.74 0.00 0.81 4.18 4.64 -0.56 -2.71 113.55 120.66 1ius h SER 348 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1ius h SER 348 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ius h SER 348 CO -0.09 0.40 -1.20 1.33 -0.87 0.00 0.00 176.83 176.40 1ius n VAL 349 N -3.68 0.58 -0.02 0.95 0.24 -0.80 -4.39 118.33 111.22 1ius n VAL 349 Ca -0.01 -0.56 -0.02 0.00 -2.04 0.00 0.00 64.34 61.72 1ius n VAL 349 Cb 0.49 -0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 32.41 1ius n VAL 349 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ius n LEU 350 N -2.63 0.48 -4.94 1.34 4.77 -0.78 -4.94 117.00 110.29 1ius n LEU 350 Ca -0.02 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 1ius n LEU 350 Cb 0.58 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1ius n LEU 350 CO 0.41 0.24 0.07 -1.00 -1.33 0.00 0.00 177.39 175.78 1ius s HIS 351 N -2.87 3.48 -0.28 -1.77 3.76 -1.03 -4.32 115.29 112.25 1ius s HIS 351 Ca -0.06 0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 54.98 1ius s HIS 351 Cb 0.09 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 1ius s HIS 351 CO 0.83 0.29 0.29 1.03 -0.85 0.00 0.00 174.74 176.34 1ius s ARG 352 N -3.87 3.94 0.23 1.40 3.00 -1.26 -4.94 118.95 117.45 1ius s ARG 352 Ca 0.38 -0.17 -0.09 0.00 0.00 0.00 0.00 55.73 55.86 1ius s ARG 352 Cb -0.10 -3.67 -0.07 0.00 0.00 0.00 0.00 34.95 31.11 1ius s ARG 352 CO 0.32 -0.26 0.54 -0.06 0.00 0.00 0.00 175.30 175.84 1ius s PHE 353 N 1.92 3.43 0.22 -0.53 0.40 -1.26 -4.97 117.98 117.20 1ius s PHE 353 Ca 0.11 0.83 -0.30 0.00 -0.60 0.00 0.00 56.93 56.97 1ius s PHE 353 Cb -0.16 -2.23 -0.09 0.00 0.51 0.00 0.00 43.02 41.06 1ius s PHE 353 CO 0.11 0.27 1.15 -2.14 0.70 0.00 0.00 175.22 175.31 1ius s PRO 354 N -2.87 4.56 -0.95 0.24 0.02 -1.26 -4.13 135.00 130.60 1ius s PRO 354 Ca 0.47 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 63.23 1ius s PRO 354 Cb -0.11 -3.22 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 1ius s PRO 354 CO 0.22 0.04 0.74 -0.25 -0.33 0.00 0.00 177.00 177.43 1ius n ASP 355 N 1.93 -6.08 -4.67 2.53 8.00 -1.26 -4.98 116.55 112.01 1ius n ASP 355 Ca 0.02 -0.71 -0.35 0.00 0.71 0.00 0.00 54.79 54.46 1ius n ASP 355 Cb 0.45 -3.77 -0.09 0.00 -0.02 0.00 0.00 41.12 37.69 1ius n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ius s THR 356 N -3.23 4.76 0.63 -3.53 2.01 -1.26 -5.10 115.64 109.91 1ius s THR 356 Ca 0.24 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1ius s THR 356 Cb -0.08 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1ius s THR 356 CO 0.82 0.52 1.03 1.51 -0.69 0.00 0.00 174.62 177.81 1ius s ASP 357 N -0.10 6.14 0.29 3.53 1.47 -1.26 -4.89 116.67 121.85 1ius s ASP 357 Ca 0.07 1.37 0.04 0.00 1.18 0.00 0.00 52.55 55.20 1ius s ASP 357 Cb -0.12 -2.40 0.68 0.00 -0.34 0.00 0.00 42.92 40.73 1ius s ASP 357 CO 0.01 -0.92 1.76 0.00 0.68 0.00 0.00 175.17 176.71 1ius h ALA 358 N -0.34 1.52 -0.12 2.11 0.00 -1.99 -1.96 119.26 118.48 1ius h ALA 358 Ca -0.44 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ius h ALA 358 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ius h ALA 358 CO 0.62 -0.10 0.06 0.35 0.00 0.00 0.00 179.25 180.19 1ius h PHE 359 N 0.68 0.16 -0.31 0.00 3.57 -1.99 -1.84 116.94 117.21 1ius h PHE 359 Ca 0.54 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.98 1ius h PHE 359 Cb 0.84 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1ius h PHE 359 CO -0.05 0.19 -0.03 0.77 -2.23 0.00 0.00 178.31 176.96 1ius h SER 360 N 0.09 0.46 -0.51 0.41 0.02 -1.76 0.14 113.55 112.39 1ius h SER 360 Ca 0.04 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1ius h SER 360 Cb 0.08 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1ius h SER 360 CO -0.01 0.55 -0.05 1.56 -1.14 0.00 0.00 176.83 177.74 1ius h GLN 361 N 0.46 0.93 -0.54 3.45 4.20 -1.27 -0.33 115.11 122.02 1ius h GLN 361 Ca 0.10 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 1ius h GLN 361 Cb 0.36 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1ius h GLN 361 CO 0.01 0.98 -0.01 0.00 -0.67 0.00 0.00 178.83 179.14 1ius h ARG 362 N 0.80 0.96 -0.46 1.46 2.47 -0.70 -1.26 114.38 117.65 1ius h ARG 362 Ca 0.14 -0.31 -0.07 0.00 -1.26 0.00 0.00 59.98 58.47 1ius h ARG 362 Cb 0.59 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 1ius h ARG 362 CO 0.04 0.98 -0.01 0.82 0.56 0.00 0.00 179.97 182.36 1ius h ILE 363 N 0.84 1.24 -0.00 2.04 1.08 -0.56 -1.41 117.51 120.74 1ius h ILE 363 Ca 0.15 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1ius h ILE 363 Cb 0.55 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1ius h ILE 363 CO 0.03 0.35 0.00 -0.61 -0.69 0.00 0.00 178.15 177.23 1ius h GLN 364 N 0.72 0.00 -0.96 2.37 4.15 -0.72 0.04 115.11 120.71 1ius h GLN 364 Ca 0.14 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.61 1ius h GLN 364 Cb 0.45 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 1ius h GLN 364 CO 0.02 0.15 0.62 0.37 -1.93 0.00 0.00 178.83 178.06 1ius h GLN 365 N -0.14 1.12 -0.08 1.69 4.15 -1.09 -2.34 115.11 118.43 1ius h GLN 365 Ca 0.00 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 1ius h GLN 365 Cb 0.15 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1ius h GLN 365 CO -0.00 0.74 -0.40 1.15 -1.93 0.00 0.00 178.83 178.40 1ius h THR 366 N 1.16 1.30 -0.46 2.39 2.02 -0.70 -1.89 112.91 116.72 1ius h THR 366 Ca 0.40 -1.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1ius h THR 366 Cb 0.10 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1ius h THR 366 CO -0.15 0.43 0.18 -0.33 0.37 0.00 0.00 175.52 176.02 1ius h GLU 367 N 0.14 0.70 0.30 6.66 4.39 -0.46 0.48 114.58 126.80 1ius h GLU 367 Ca 0.01 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1ius h GLU 367 Cb 0.77 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1ius h GLU 367 CO 0.06 0.64 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.33 1ius h LEU 368 N 0.61 -0.35 -0.93 1.33 3.38 -1.26 0.17 115.31 118.27 1ius h LEU 368 Ca 0.15 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1ius h LEU 368 Cb 0.21 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1ius h LEU 368 CO -0.01 -0.20 0.57 -0.33 0.09 0.00 0.00 178.44 178.56 1ius h GLU 369 N -0.47 0.96 0.50 1.13 5.08 -1.22 -0.98 114.58 119.58 1ius h GLU 369 Ca -0.04 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1ius h GLU 369 Cb 0.35 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ius h GLU 369 CO 0.07 0.63 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.55 1ius h TYR 370 N 0.99 -0.63 -0.13 4.33 3.20 -0.56 -2.41 116.97 121.77 1ius h TYR 370 Ca 0.43 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.31 1ius h TYR 370 Cb 0.30 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1ius h TYR 370 CO -0.02 -0.39 0.09 1.88 -1.64 0.00 0.00 178.16 178.08 1ius h TYR 371 N -1.10 0.06 -0.00 -3.82 -1.99 -0.93 -1.85 116.97 107.34 1ius h TYR 371 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1ius h TYR 371 Cb 0.52 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.23 1ius h TYR 371 CO 0.01 0.03 -0.24 1.28 -0.00 0.00 0.00 178.16 179.24 1ius n LEU 372 N -4.51 0.47 -0.00 3.88 4.32 -0.38 -1.21 117.00 119.57 1ius n LEU 372 Ca -0.00 0.06 0.03 0.00 -0.02 0.00 0.00 56.01 56.07 1ius n LEU 372 Cb 0.17 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 41.68 1ius n LEU 372 CO 0.35 0.10 -0.12 0.61 -1.22 0.00 0.00 177.39 177.11 1ius n GLY 373 N 1.41 0.34 3.78 -0.72 0.00 -0.82 -4.94 105.19 104.24 1ius n GLY 373 Ca 0.10 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1ius n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ius s SER 374 N -1.74 5.82 0.30 1.61 0.15 -0.76 -4.98 113.70 114.10 1ius s SER 374 Ca 0.01 0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.95 1ius s SER 374 Cb 0.04 -1.77 0.44 0.00 -1.71 0.00 0.00 66.02 63.02 1ius s SER 374 CO 0.23 0.39 1.93 -0.33 1.20 0.00 0.00 173.24 176.65 1ius h GLU 375 N 5.01 0.99 -0.12 5.44 4.39 -1.91 0.51 114.58 128.89 1ius h GLU 375 Ca -0.53 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 58.87 1ius h GLU 375 Cb 1.21 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1ius h GLU 375 CO 0.57 0.72 -0.74 0.00 -1.16 0.00 0.00 179.01 178.39 1ius h ALA 376 N 1.44 0.47 -0.11 3.43 0.00 -1.93 -2.50 119.26 120.07 1ius h ALA 376 Ca 0.26 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ius h ALA 376 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ius h ALA 376 CO -0.04 0.72 0.04 0.78 0.00 0.00 0.00 179.25 180.75 1ius h GLY 377 N 0.93 0.17 0.37 0.00 0.00 -1.54 -2.31 103.07 100.70 1ius h GLY 377 Ca -0.04 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1ius h GLY 377 CO 0.14 0.09 0.02 1.41 0.00 0.00 0.00 176.54 178.20 1ius h LEU 378 N 0.01 -0.13 -1.80 3.11 3.38 0.54 -1.38 115.31 119.04 1ius h LEU 378 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ius h LEU 378 Cb 0.18 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1ius h LEU 378 CO -0.00 -0.03 0.13 0.00 0.09 0.00 0.00 178.44 178.62 1ius h ALA 379 N 1.35 1.85 -0.29 1.53 0.00 -1.23 -0.47 119.26 122.00 1ius h ALA 379 Ca 0.20 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1ius h ALA 379 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ius h ALA 379 CO -0.32 0.14 -0.47 1.79 0.00 0.00 0.00 179.25 180.38 1ius h THR 380 N 0.27 1.29 0.38 0.00 1.35 -0.69 -1.79 112.91 113.71 1ius h THR 380 Ca 0.07 -1.67 -0.02 0.00 -0.55 0.00 0.00 66.41 64.25 1ius h THR 380 Cb -0.02 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1ius h THR 380 CO -0.01 0.54 -0.18 0.40 -0.25 0.00 0.00 175.52 176.01 1ius h ILE 381 N 0.61 0.57 0.02 6.82 2.04 -0.97 -3.09 117.51 123.51 1ius h ILE 381 Ca 0.03 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1ius h ILE 381 Cb 1.05 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1ius h ILE 381 CO 0.10 0.09 -0.32 0.00 0.00 0.00 0.00 178.15 178.02 1ius h ALA 382 N -0.38 -0.48 0.00 1.87 0.00 -1.12 0.44 119.26 119.60 1ius h ALA 382 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ius h ALA 382 Cb 0.54 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ius h ALA 382 CO 0.09 -0.84 -0.03 1.05 0.00 0.00 0.00 179.25 179.52 1ius h GLU 383 N -0.48 0.00 0.25 0.00 4.11 -1.45 -0.04 114.58 116.97 1ius h GLU 383 Ca 0.06 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.15 1ius h GLU 383 Cb 0.56 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.85 1ius h GLU 383 CO -0.25 0.03 -1.48 -0.91 0.07 0.00 0.00 179.01 176.47 1ius h ASN 384 N 0.00 0.82 -0.33 3.06 2.35 -1.31 -3.07 115.58 117.10 1ius h ASN 384 Ca -0.00 -0.88 -0.03 0.00 -0.55 0.00 0.00 56.30 54.83 1ius h ASN 384 Cb 0.07 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1ius h ASN 384 CO 0.00 1.69 0.08 0.22 -1.65 0.00 0.00 177.43 177.78 1ius h TYR 385 N 0.14 0.55 0.00 1.19 5.03 0.10 -2.14 116.97 121.85 1ius h TYR 385 Ca -0.25 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 60.99 1ius h TYR 385 Cb 2.16 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 40.29 1ius h TYR 385 CO 0.12 0.57 0.00 -0.39 -1.32 0.00 0.00 178.16 177.14 1ius h VAL 386 N 0.38 0.00 0.00 1.81 -1.51 -1.19 -3.48 116.25 112.25 1ius h VAL 386 Ca 0.10 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1ius h VAL 386 Cb 0.29 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1ius h VAL 386 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1ius n GLY 387 N 0.42 2.09 3.77 5.19 0.00 -0.80 -3.92 105.19 111.93 1ius n GLY 387 Ca 0.03 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 1ius n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ius s LEU 388 N 0.00 3.61 0.43 0.99 1.02 -1.24 -4.86 118.68 118.64 1ius s LEU 388 Ca 0.00 2.13 -0.26 0.00 0.02 0.00 0.00 54.13 56.02 1ius s LEU 388 Cb 0.00 -4.57 -0.09 0.00 0.02 0.00 0.00 46.19 41.55 1ius s LEU 388 CO 0.00 -1.40 1.42 -0.81 0.02 0.00 0.00 176.35 175.58 1ius n PRO 389 N -1.73 2.27 -2.13 1.29 -0.04 -1.26 -4.99 135.00 128.41 1ius n PRO 389 Ca 0.11 0.81 -0.34 0.00 -0.04 0.00 0.00 63.50 64.04 1ius n PRO 389 Cb 0.51 -2.59 0.01 0.00 -0.04 0.00 0.00 33.50 31.39 1ius n PRO 389 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ius s TYR 390 N -1.18 2.80 0.20 0.54 1.51 -1.26 -5.03 117.35 114.94 1ius s TYR 390 Ca 0.60 1.54 -0.14 0.00 -1.01 0.00 0.00 57.07 58.06 1ius s TYR 390 Cb -0.46 -3.14 -0.07 0.00 -0.11 0.00 0.00 41.96 38.17 1ius s TYR 390 CO 0.59 -1.34 0.59 -2.00 -1.11 0.00 0.00 175.55 172.28 1ius s GLU 391 N -3.69 3.96 0.00 -0.62 2.12 -1.26 -5.00 118.70 114.21 1ius s GLU 391 Ca 0.68 0.49 0.27 0.00 0.36 0.00 0.00 54.97 56.77 1ius s GLU 391 Cb -0.19 -2.78 0.85 0.00 0.26 0.00 0.00 34.13 32.27 1ius s GLU 391 CO 0.32 0.38 1.64 -1.91 -0.54 0.00 0.00 175.26 175.16 1ius n GLU 392 N 0.37 0.23 -0.25 4.30 4.07 -1.26 -5.01 120.64 123.10 1ius n GLU 392 Ca -0.02 -0.10 0.03 0.00 -0.06 0.00 0.00 57.16 57.01 1ius n GLU 392 Cb 0.52 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.39 1ius n GLU 392 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1ius n ILE 393 N -1.29 0.00 -0.93 6.31 5.41 -1.26 -5.13 119.36 122.46 1ius n ILE 393 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1ius n ILE 393 Cb 0.33 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 1ius n ILE 393 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76