#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihl s LYS 2 N 0.00 2.38 -0.04 2.12 1.02 -0.79 -4.85 119.74 119.57 3ihl s LYS 2 Ca 0.00 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.20 3ihl s LYS 2 Cb 0.00 -2.40 -0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3ihl s LYS 2 CO 0.00 0.57 -0.17 0.71 -0.92 0.00 0.00 175.35 175.54 3ihl s TYR 3 N -1.04 1.66 -0.19 3.18 2.02 0.34 -0.57 117.35 122.76 3ihl s TYR 3 Ca 0.18 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3ihl s TYR 3 Cb -0.11 -1.12 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 3ihl s TYR 3 CO 0.09 -0.15 -0.18 0.42 -1.57 0.00 0.00 175.55 174.16 3ihl s ILE 4 N 0.01 2.02 -0.24 2.71 1.01 0.01 -1.86 121.20 124.87 3ihl s ILE 4 Ca -0.03 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 3ihl s ILE 4 Cb -0.11 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3ihl s ILE 4 CO 0.02 0.45 0.09 -0.22 0.00 0.00 0.00 174.94 175.28 3ihl s LEU 5 N 1.28 3.65 -0.25 2.97 2.96 -0.71 -0.31 118.68 128.27 3ihl s LEU 5 Ca 0.03 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 3ihl s LEU 5 Cb -0.14 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3ihl s LEU 5 CO -0.12 0.01 0.09 -0.69 -1.32 0.00 0.00 176.35 174.33 3ihl s VAL 6 N 1.33 4.47 0.34 1.68 1.01 0.27 0.06 120.40 129.56 3ihl s VAL 6 Ca 0.05 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3ihl s VAL 6 Cb -0.15 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 3ihl s VAL 6 CO 0.04 0.32 -0.10 0.42 0.00 0.00 0.00 175.10 175.79 3ihl s THR 7 N 1.64 2.30 0.22 3.92 -4.23 -0.12 -1.26 115.64 118.11 3ihl s THR 7 Ca 0.06 -2.21 0.11 0.00 -1.18 0.00 0.00 61.69 58.47 3ihl s THR 7 Cb -0.15 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 3ihl s THR 7 CO 0.05 -0.22 -0.21 -0.83 -0.54 0.00 0.00 174.62 172.86 3ihl s GLY 8 N -3.61 1.69 0.11 3.99 0.00 -1.26 -0.48 107.32 107.77 3ihl s GLY 8 Ca 0.32 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 43.37 3ihl s GLY 8 CO 0.17 -1.76 -0.07 -0.32 0.00 0.00 0.00 173.10 171.12 3ihl s GLY 9 N -3.01 0.82 0.00 0.20 0.00 0.12 -1.30 107.32 104.16 3ihl s GLY 9 Ca 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.58 3ihl s GLY 9 CO 0.11 -1.47 0.00 -0.62 0.00 0.00 0.00 173.10 171.11 3ihl n VAL 10 N -0.06 0.00 -4.05 1.40 0.31 -1.26 -3.89 118.33 110.78 3ihl n VAL 10 Ca -0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.13 3ihl n VAL 10 Cb 0.61 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.43 3ihl n VAL 10 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3ihl s ILE 11 N 0.00 0.19 0.89 2.52 -4.36 -1.26 -5.06 121.20 114.12 3ihl s ILE 11 Ca 0.00 -1.51 -0.12 0.00 -0.26 0.00 0.00 60.65 58.76 3ihl s ILE 11 Cb 0.00 -1.10 0.13 0.00 1.25 0.00 0.00 42.46 42.74 3ihl s ILE 11 CO 0.00 -0.83 1.12 -0.94 0.24 0.00 0.00 174.94 174.53 3ihl s SER 12 N -2.43 3.67 -1.49 4.36 1.04 -1.26 -4.07 113.70 113.52 3ihl s SER 12 Ca -0.01 1.08 -0.02 0.00 0.48 0.00 0.00 55.95 57.48 3ihl s SER 12 Cb 0.02 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.43 3ihl s SER 12 CO -0.07 -2.46 0.29 0.61 0.98 0.00 0.00 173.24 172.59 3ihl n GLY 13 N -2.05 -0.40 0.05 7.32 0.00 -1.26 -4.90 105.19 103.94 3ihl n GLY 13 Ca 0.07 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3ihl n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ihl n ILE 14 N -4.22 0.25 0.00 -0.61 0.13 -1.26 -4.96 119.36 108.70 3ihl n ILE 14 Ca -0.16 -0.24 0.00 0.00 -1.10 0.00 0.00 62.75 61.25 3ihl n ILE 14 Cb 0.64 0.05 0.00 0.00 -0.84 0.00 0.00 39.64 39.49 3ihl n ILE 14 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3ihl n GLY 15 N 1.36 1.63 0.20 4.50 0.00 -1.26 -4.89 105.19 106.74 3ihl n GLY 15 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 3ihl n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihl h LYS 16 N 0.33 0.37 -0.37 1.61 1.57 -1.92 -1.33 116.57 116.83 3ihl h LYS 16 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ihl h LYS 16 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3ihl h LYS 16 CO 0.00 0.25 0.21 0.78 -0.57 0.00 0.00 179.45 180.11 3ihl h GLY 17 N 0.38 0.56 1.09 3.86 0.00 -1.98 0.47 103.07 107.45 3ihl h GLY 17 Ca 0.24 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3ihl h GLY 17 CO -0.23 0.24 -0.05 -2.22 0.00 0.00 0.00 176.54 174.29 3ihl h ILE 18 N 0.48 1.27 -0.14 2.60 1.08 -1.86 0.38 117.51 121.32 3ihl h ILE 18 Ca 0.13 -1.21 -0.01 0.00 -0.39 0.00 0.00 64.86 63.38 3ihl h ILE 18 Cb 0.05 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 3ihl h ILE 18 CO -0.02 0.44 0.03 0.40 -0.69 0.00 0.00 178.15 178.30 3ihl h ILE 19 N 0.97 1.21 -0.92 -0.67 1.08 -1.10 0.24 117.51 118.31 3ihl h ILE 19 Ca 0.16 -0.65 0.04 0.00 -0.39 0.00 0.00 64.86 64.02 3ihl h ILE 19 Cb 0.62 1.37 -0.06 0.00 -3.07 0.00 0.00 36.82 35.68 3ihl h ILE 19 CO 0.04 0.19 0.60 0.00 -0.69 0.00 0.00 178.15 178.29 3ihl h ALA 20 N 0.82 1.23 -0.27 1.87 0.00 -0.65 -0.22 119.26 122.05 3ihl h ALA 20 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3ihl h ALA 20 Cb 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ihl h ALA 20 CO 0.00 0.43 -0.51 1.03 0.00 0.00 0.00 179.25 180.21 3ihl h SER 21 N 1.14 0.91 -0.23 0.00 0.87 -0.72 -2.72 113.55 112.80 3ihl h SER 21 Ca 0.38 -0.54 -0.14 0.00 -1.23 0.00 0.00 61.79 60.26 3ihl h SER 21 Cb 0.05 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3ihl h SER 21 CO -0.13 1.28 -0.42 0.28 -0.53 0.00 0.00 176.83 177.31 3ihl h SER 22 N 0.58 0.77 -0.43 6.23 0.02 0.31 -0.92 113.55 120.11 3ihl h SER 22 Ca 0.01 -0.53 0.06 0.00 -0.84 0.00 0.00 61.79 60.49 3ihl h SER 22 Cb 1.11 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3ihl h SER 22 CO 0.11 1.16 0.13 0.40 -1.14 0.00 0.00 176.83 177.49 3ihl h ILE 23 N 0.41 0.84 0.03 3.27 2.04 -1.13 0.12 117.51 123.09 3ihl h ILE 23 Ca 0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3ihl h ILE 23 Cb 1.01 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3ihl h ILE 23 CO 0.09 0.05 -0.31 1.23 0.00 0.00 0.00 178.15 179.22 3ihl h GLY 24 N 0.29 -0.53 0.51 5.37 0.00 -1.26 -0.09 103.07 107.36 3ihl h GLY 24 Ca 0.20 0.37 0.09 0.00 0.00 0.00 0.00 47.33 48.00 3ihl h GLY 24 CO -0.22 -0.23 0.37 -0.84 0.00 0.00 0.00 176.54 175.62 3ihl h THR 25 N -0.48 0.87 -0.08 4.70 2.02 -0.76 -1.78 112.91 117.40 3ihl h THR 25 Ca 0.05 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3ihl h THR 25 Cb 0.55 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3ihl h THR 25 CO -0.24 0.12 0.03 0.40 0.37 0.00 0.00 175.52 176.19 3ihl h ILE 26 N 0.64 1.17 -0.31 3.11 2.04 -0.32 -2.88 117.51 120.96 3ihl h ILE 26 Ca 0.35 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3ihl h ILE 26 Cb 0.34 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3ihl h ILE 26 CO -0.25 0.15 -0.07 -0.07 0.00 0.00 0.00 178.15 177.91 3ihl h LEU 27 N -0.06 0.48 -1.37 1.44 3.38 -0.73 -2.25 115.31 116.21 3ihl h LEU 27 Ca 0.03 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3ihl h LEU 27 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ihl h LEU 27 CO -0.00 0.60 -0.24 0.11 0.09 0.00 0.00 178.44 179.00 3ihl h LYS 28 N 0.48 0.11 0.00 1.13 1.57 -1.25 -2.25 116.57 116.37 3ihl h LYS 28 Ca 0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ihl h LYS 28 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3ihl h LYS 28 CO 0.02 0.35 0.00 -1.13 -0.57 0.00 0.00 179.45 178.12 3ihl n SER 29 N -4.21 0.00 -1.70 0.86 3.41 -0.85 -1.77 113.62 109.36 3ihl n SER 29 Ca -0.02 0.26 0.08 0.00 -0.26 0.00 0.00 58.87 58.94 3ihl n SER 29 Cb 0.32 -0.41 0.38 0.00 -0.26 0.00 0.00 64.21 64.24 3ihl n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ihl n GLY 31 N 0.85 0.60 3.82 0.00 0.00 -0.73 -5.05 105.19 104.66 3ihl n GLY 31 Ca 0.27 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 3ihl n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihl s LEU 32 N 0.00 4.32 -0.53 0.99 1.43 -1.19 -5.04 118.68 118.66 3ihl s LEU 32 Ca 0.00 0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 3ihl s LEU 32 Cb 0.00 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3ihl s LEU 32 CO 0.00 0.30 1.61 -0.13 0.23 0.00 0.00 176.35 178.36 3ihl s ARG 33 N -0.45 3.13 -0.12 1.70 0.52 -1.26 -4.29 118.95 118.18 3ihl s ARG 33 Ca 0.13 0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 56.00 3ihl s ARG 33 Cb -0.12 -4.21 -0.03 0.00 0.52 0.00 0.00 34.95 31.11 3ihl s ARG 33 CO 0.03 -2.14 -0.04 0.08 0.02 0.00 0.00 175.30 173.25 3ihl s VAL 34 N 7.03 3.91 0.37 3.52 1.01 -1.26 -0.63 120.40 134.35 3ihl s VAL 34 Ca 0.61 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.30 3ihl s VAL 34 Cb -0.13 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 3ihl s VAL 34 CO 0.25 0.54 -0.03 0.28 0.00 0.00 0.00 175.10 176.15 3ihl s THR 35 N -0.21 1.98 -0.02 3.92 -1.32 -0.06 -4.89 115.64 115.05 3ihl s THR 35 Ca 0.04 -2.09 0.01 0.00 -1.21 0.00 0.00 61.69 58.44 3ihl s THR 35 Cb -0.13 -2.80 0.01 0.00 -1.51 0.00 0.00 72.50 68.07 3ihl s THR 35 CO 0.02 -0.10 -0.03 0.00 -2.21 0.00 0.00 174.62 172.30 3ihl s ALA 36 N -2.76 0.40 -0.04 11.08 0.00 -1.26 -1.80 121.76 127.37 3ihl s ALA 36 Ca 0.34 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.26 3ihl s ALA 36 Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 3ihl s ALA 36 CO 0.17 0.04 -0.16 0.42 0.00 0.00 0.00 175.76 176.22 3ihl s ILE 37 N 0.32 1.38 -0.11 0.00 1.01 -0.77 -4.93 121.20 118.09 3ihl s ILE 37 Ca -0.03 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3ihl s ILE 37 Cb -0.07 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 3ihl s ILE 37 CO -0.00 0.40 -0.18 -0.75 0.00 0.00 0.00 174.94 174.40 3ihl s LYS 38 N 0.07 3.21 -0.21 2.79 2.47 -0.90 -1.13 119.74 126.04 3ihl s LYS 38 Ca -0.04 -0.78 -0.05 0.00 -1.56 0.00 0.00 55.97 53.54 3ihl s LYS 38 Cb -0.11 -2.47 -0.02 0.00 -1.46 0.00 0.00 37.83 33.77 3ihl s LYS 38 CO 0.02 0.20 -0.01 0.42 0.16 0.00 0.00 175.35 176.15 3ihl s ILE 39 N 0.33 3.81 -0.27 5.43 1.01 0.05 -1.24 121.20 130.33 3ihl s ILE 39 Ca -0.15 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 3ihl s ILE 39 Cb -0.17 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3ihl s ILE 39 CO 0.07 0.41 0.04 -1.81 0.00 0.00 0.00 174.94 173.66 3ihl s ASP 40 N 1.22 4.91 0.00 3.58 1.01 -0.13 -1.21 116.67 126.05 3ihl s ASP 40 Ca 0.03 -0.58 0.08 0.00 0.71 0.00 0.00 52.55 52.79 3ihl s ASP 40 Cb -0.15 -1.84 0.49 0.00 1.01 0.00 0.00 42.92 42.44 3ihl s ASP 40 CO 0.01 -0.13 1.00 -2.65 0.21 0.00 0.00 175.17 173.60 3ihl n PRO 41 N 4.85 0.59 -2.10 8.23 -0.02 -1.26 -3.00 135.00 142.29 3ihl n PRO 41 Ca -0.16 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.05 3ihl n PRO 41 Cb 0.49 -1.22 0.09 0.00 -0.02 0.00 0.00 33.50 32.84 3ihl n PRO 41 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ihl s TYR 42 N -2.00 2.69 -0.74 6.00 -0.85 -1.26 -4.35 117.35 116.83 3ihl s TYR 42 Ca 0.12 0.48 0.24 0.00 -0.52 0.00 0.00 57.07 57.39 3ihl s TYR 42 Cb 0.06 -3.39 0.28 0.00 0.38 0.00 0.00 41.96 39.28 3ihl s TYR 42 CO 0.10 -1.70 1.24 -0.89 -1.52 0.00 0.00 175.55 172.78 3ihl n ILE 43 N -3.14 0.18 -1.77 -3.49 5.41 -1.26 -1.43 119.36 113.85 3ihl n ILE 43 Ca 0.09 -0.18 -0.37 0.00 1.00 0.00 0.00 62.75 63.29 3ihl n ILE 43 Cb 0.60 0.12 0.06 0.00 -0.71 0.00 0.00 39.64 39.71 3ihl n ILE 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 3ihl s ASN 44 N -3.75 4.82 -0.05 4.38 -0.87 -1.26 -3.58 114.94 114.63 3ihl s ASN 44 Ca 0.07 2.65 0.03 0.00 -1.57 0.00 0.00 52.86 54.04 3ihl s ASN 44 Cb 0.15 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.76 3ihl s ASN 44 CO 0.75 -1.86 -0.16 -0.63 -2.57 0.00 0.00 177.10 172.62 3ihl s ILE 45 N -1.38 1.35 0.00 0.60 1.01 -1.26 -4.47 121.20 117.05 3ihl s ILE 45 Ca 0.79 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.80 3ihl s ILE 45 Cb -0.38 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3ihl s ILE 45 CO 0.41 0.40 0.00 -0.46 0.00 0.00 0.00 174.94 175.29 3ihl n ASN 86 N 3.42 0.00 -4.03 3.58 0.23 -1.26 -5.09 115.26 112.11 3ihl n ASN 86 Ca -0.20 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.56 3ihl n ASN 86 Cb 0.53 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.06 3ihl n ASN 86 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3ihl s ASN 87 N 0.00 2.61 0.17 0.53 3.84 -1.26 -2.13 114.94 118.70 3ihl s ASN 87 Ca 0.00 -0.46 0.09 0.00 0.21 0.00 0.00 52.86 52.69 3ihl s ASN 87 Cb 0.00 -1.15 -0.04 0.00 -0.55 0.00 0.00 41.25 39.51 3ihl s ASN 87 CO 0.00 -0.04 -0.09 -0.51 -2.79 0.00 0.00 177.10 173.67 3ihl s ILE 88 N 1.35 3.24 0.16 -5.21 1.10 -0.37 -4.99 121.20 116.48 3ihl s ILE 88 Ca 0.02 -1.59 0.00 0.00 -0.51 0.00 0.00 60.65 58.57 3ihl s ILE 88 Cb -0.13 -2.60 -0.04 0.00 0.15 0.00 0.00 42.46 39.84 3ihl s ILE 88 CO -0.08 -0.08 0.04 0.42 -2.11 0.00 0.00 174.94 173.13 3ihl s THR 89 N -1.64 0.33 0.21 4.00 -4.23 -1.26 -0.96 115.64 112.10 3ihl s THR 89 Ca 0.24 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.71 3ihl s THR 89 Cb -0.09 -2.14 0.16 0.00 1.34 0.00 0.00 72.50 71.77 3ihl s THR 89 CO 0.15 -0.41 1.86 0.74 -0.54 0.00 0.00 174.62 176.42 3ihl h THR 90 N 2.76 1.12 -0.06 3.99 2.02 -1.15 -2.19 112.91 119.41 3ihl h THR 90 Ca -0.36 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 66.54 3ihl h THR 90 Cb 1.21 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 3ihl h THR 90 CO 0.60 0.17 -0.24 1.23 0.37 0.00 0.00 175.52 177.65 3ihl h GLY 91 N 0.93 -0.32 0.99 2.16 0.00 -1.59 -0.30 103.07 104.94 3ihl h GLY 91 Ca 0.29 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3ihl h GLY 91 CO -0.10 -0.20 0.21 0.50 0.00 0.00 0.00 176.54 176.95 3ihl h LYS 92 N -0.35 0.45 -0.17 4.80 1.57 -1.73 0.16 116.57 121.31 3ihl h LYS 92 Ca 0.08 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 3ihl h LYS 92 Cb 0.46 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3ihl h LYS 92 CO -0.26 0.32 -0.50 0.97 -0.57 0.00 0.00 179.45 179.42 3ihl h ILE 93 N 0.45 1.33 -0.57 1.86 6.09 -1.28 -1.21 117.51 124.18 3ihl h ILE 93 Ca 0.12 -1.75 -0.09 0.00 -1.37 0.00 0.00 64.86 61.77 3ihl h ILE 93 Cb -0.02 1.97 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 3ihl h ILE 93 CO -0.02 0.54 -0.02 1.88 -3.07 0.00 0.00 178.15 177.46 3ihl h TYR 94 N 0.30 1.08 -0.75 2.19 -1.99 -0.97 -2.35 116.97 114.49 3ihl h TYR 94 Ca -0.01 -0.19 -0.06 0.00 2.00 0.00 0.00 58.73 60.47 3ihl h TYR 94 Cb 1.12 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 39.53 3ihl h TYR 94 CO 0.10 0.97 0.24 0.37 -0.00 0.00 0.00 178.16 179.84 3ihl h GLN 95 N 0.91 1.16 0.32 4.88 5.75 -0.58 -0.45 115.11 127.10 3ihl h GLN 95 Ca 0.16 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3ihl h GLN 95 Cb 0.56 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 3ihl h GLN 95 CO 0.03 0.98 -0.21 1.25 -2.65 0.00 0.00 178.83 178.23 3ihl h HIS 96 N 1.11 -0.56 -0.46 3.99 2.76 -1.03 -0.17 115.15 120.78 3ihl h HIS 96 Ca 0.24 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.28 3ihl h HIS 96 Cb 0.30 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 3ihl h HIS 96 CO 0.03 -0.33 -0.19 0.28 -1.30 0.00 0.00 177.93 176.41 3ihl h VAL 97 N -0.52 1.27 -0.18 5.26 2.07 -1.33 0.08 116.25 122.89 3ihl h VAL 97 Ca -0.03 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.16 3ihl h VAL 97 Cb 0.44 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3ihl h VAL 97 CO 0.02 0.46 0.08 0.40 0.02 0.00 0.00 177.57 178.55 3ihl h ILE 98 N 0.81 0.98 -0.79 4.57 2.04 -1.02 -0.51 117.51 123.60 3ihl h ILE 98 Ca 0.11 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3ihl h ILE 98 Cb 0.75 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3ihl h ILE 98 CO 0.06 0.03 0.43 0.78 0.00 0.00 0.00 178.15 179.45 3ihl h ASN 99 N 0.17 0.99 -0.69 1.72 2.35 -0.77 0.17 115.58 119.52 3ihl h ASN 99 Ca 0.07 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3ihl h ASN 99 Cb 0.02 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 3ihl h ASN 99 CO -0.06 0.80 0.43 0.11 -1.65 0.00 0.00 177.43 177.07 3ihl h LYS 100 N 1.09 0.82 -0.13 0.81 1.57 -0.76 -1.94 116.57 118.03 3ihl h LYS 100 Ca 0.28 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3ihl h LYS 100 Cb 0.04 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3ihl h LYS 100 CO -0.04 0.54 -0.06 1.49 -0.57 0.00 0.00 179.45 180.81 3ihl h GLU 101 N 0.85 0.27 -0.82 3.15 4.22 -0.37 -1.27 114.58 120.61 3ihl h GLU 101 Ca 0.28 -0.12 0.16 0.00 0.08 0.00 0.00 59.36 59.76 3ihl h GLU 101 Cb 0.01 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 3ihl h GLU 101 CO -0.11 0.60 0.54 -0.09 -2.18 0.00 0.00 179.01 177.78 3ihl h ARG 102 N -0.07 0.45 -0.34 1.92 9.65 -0.59 -0.68 114.38 124.73 3ihl h ARG 102 Ca 0.03 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3ihl h ARG 102 Cb 0.52 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 3ihl h ARG 102 CO 0.02 0.29 0.00 2.89 2.80 0.00 0.00 179.97 185.97 3ihl n ARG 103 N -4.50 2.27 -0.46 0.20 1.85 -0.74 -4.96 116.66 110.32 3ihl n ARG 103 Ca 0.16 -1.92 0.00 0.00 -1.00 0.00 0.00 57.85 55.09 3ihl n ARG 103 Cb 0.57 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 3ihl n ARG 103 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ihl n GLY 104 N 1.39 0.76 0.28 2.89 0.00 -0.26 -4.97 105.19 105.28 3ihl n GLY 104 Ca 0.18 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.79 3ihl n GLY 104 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ihl h ASP 105 N 0.00 0.19 -0.53 1.61 3.32 -1.44 -2.58 116.42 117.01 3ihl h ASP 105 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ihl h ASP 105 Cb 0.02 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ihl h ASP 105 CO 0.00 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.46 3ihl n TYR 106 N -4.49 1.19 -3.50 4.55 4.01 -1.26 -4.95 117.16 112.71 3ihl n TYR 106 Ca -0.01 -0.48 -0.26 0.00 -0.16 0.00 0.00 57.90 57.00 3ihl n TYR 106 Cb 0.09 -0.20 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 3ihl n TYR 106 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ihl n LEU 107 N 0.88 -2.29 0.00 7.72 4.77 -0.97 -2.29 117.00 124.82 3ihl n LEU 107 Ca 0.21 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3ihl n LEU 107 Cb 0.73 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.28 3ihl n LEU 107 CO 0.19 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3ihl n GLY 108 N -1.50 2.61 3.59 -0.72 0.00 -1.26 -5.04 105.19 102.87 3ihl n GLY 108 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3ihl n GLY 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ihl n LYS 109 N -2.00 -0.48 -2.50 1.61 4.76 -0.97 -4.94 118.16 113.63 3ihl n LYS 109 Ca 0.00 -0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 3ihl n LYS 109 Cb 0.00 -2.23 -0.03 0.00 -1.84 0.00 0.00 35.03 30.93 3ihl n LYS 109 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3ihl s THR 110 N -2.56 4.25 -0.14 -0.18 2.01 -1.26 -4.99 115.64 112.77 3ihl s THR 110 Ca 0.64 1.62 -0.05 0.00 0.31 0.00 0.00 61.69 64.22 3ihl s THR 110 Cb -0.22 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3ihl s THR 110 CO 0.61 0.13 0.04 -0.69 -0.69 0.00 0.00 174.62 174.02 3ihl s VAL 111 N 1.01 4.59 0.13 3.82 1.01 -1.26 -5.08 120.40 124.62 3ihl s VAL 111 Ca 0.57 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.46 3ihl s VAL 111 Cb -0.27 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3ihl s VAL 111 CO 0.29 0.54 -0.10 -1.10 0.00 0.00 0.00 175.10 174.72 3ihl s GLN 112 N -0.24 0.99 0.14 2.72 -0.21 -1.26 -5.05 119.66 116.75 3ihl s GLN 112 Ca 0.07 -1.37 -0.24 0.00 0.02 0.00 0.00 55.36 53.85 3ihl s GLN 112 Cb -0.12 -0.59 -0.01 0.00 1.00 0.00 0.00 33.01 33.29 3ihl s GLN 112 CO 0.02 0.08 1.64 0.28 -2.12 0.00 0.00 175.29 175.18 3ihl h VAL 113 N 3.01 0.45 -3.66 1.09 2.07 -1.99 -1.48 116.25 115.74 3ihl h VAL 113 Ca -0.37 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.50 3ihl h VAL 113 Cb 1.19 0.45 -0.22 0.00 -1.52 0.00 0.00 31.29 31.19 3ihl h VAL 113 CO 0.60 0.00 -0.61 -0.69 0.02 0.00 0.00 177.57 176.89 3ihl s VAL 114 N -6.09 4.41 -2.24 2.57 1.01 -1.26 -1.27 120.40 117.52 3ihl s VAL 114 Ca -0.15 -0.14 0.24 0.00 0.00 0.00 0.00 61.98 61.93 3ihl s VAL 114 Cb 0.11 -3.06 0.13 0.00 0.00 0.00 0.00 36.38 33.55 3ihl s VAL 114 CO 0.67 0.33 1.27 -0.81 0.00 0.00 0.00 175.10 176.56 3ihl n PRO 115 N 4.90 1.43 0.03 2.72 -0.04 -1.26 -4.98 135.00 137.80 3ihl n PRO 115 Ca -0.16 -1.11 -0.19 0.00 -0.04 0.00 0.00 63.50 62.00 3ihl n PRO 115 Cb 0.51 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 3ihl n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ihl h HIS 116 N 2.72 0.64 0.03 0.54 3.86 -1.13 0.53 115.15 122.35 3ihl h HIS 116 Ca 0.00 -0.39 -0.00 0.00 -1.16 0.00 0.00 60.37 58.82 3ihl h HIS 116 Cb 0.75 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3ihl h HIS 116 CO 0.00 1.24 -0.02 0.82 0.86 0.00 0.00 177.93 180.83 3ihl h ILE 117 N -0.14 1.18 -0.19 2.45 1.08 -1.11 -2.38 117.51 118.39 3ihl h ILE 117 Ca -0.11 -0.67 -0.04 0.00 -0.39 0.00 0.00 64.86 63.65 3ihl h ILE 117 Cb 1.48 1.63 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 3ihl h ILE 117 CO 0.14 0.17 -0.07 0.71 -0.69 0.00 0.00 178.15 178.41 3ihl h THR 118 N -0.34 1.17 -0.56 -0.27 1.35 -1.34 0.18 112.91 113.09 3ihl h THR 118 Ca -0.00 -0.70 -0.07 0.00 -0.55 0.00 0.00 66.41 65.09 3ihl h THR 118 Cb 0.31 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 3ihl h THR 118 CO 0.01 0.22 0.08 0.44 -0.25 0.00 0.00 175.52 176.02 3ihl h ASP 119 N 0.28 0.90 -0.36 5.36 3.32 0.07 -2.50 116.42 123.50 3ihl h ASP 119 Ca 0.06 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 3ihl h ASP 119 Cb 0.32 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ihl h ASP 119 CO 0.02 0.94 -0.17 0.00 -1.72 0.00 0.00 179.24 178.30 3ihl h ALA 120 N 0.99 0.88 -0.28 3.45 0.00 -0.46 0.67 119.26 124.52 3ihl h ALA 120 Ca 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ihl h ALA 120 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ihl h ALA 120 CO 0.01 0.63 0.15 0.28 0.00 0.00 0.00 179.25 180.33 3ihl h VAL 121 N 0.73 1.12 -0.48 0.00 2.07 -0.69 0.47 116.25 119.46 3ihl h VAL 121 Ca 0.11 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 3ihl h VAL 121 Cb 0.69 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3ihl h VAL 121 CO 0.05 0.12 -0.19 1.56 0.02 0.00 0.00 177.57 179.13 3ihl h GLN 122 N 0.33 0.98 -0.57 1.57 4.20 -1.07 -0.97 115.11 119.59 3ihl h GLN 122 Ca 0.10 -0.41 -0.06 0.00 0.06 0.00 0.00 58.65 58.34 3ihl h GLN 122 Cb 0.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3ihl h GLN 122 CO -0.02 1.08 0.13 0.93 -0.67 0.00 0.00 178.83 180.29 3ihl h GLU 123 N 0.84 0.89 -0.45 1.46 5.08 -0.78 -2.61 114.58 119.01 3ihl h GLU 123 Ca 0.11 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3ihl h GLU 123 Cb 0.76 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3ihl h GLU 123 CO 0.06 0.81 -0.16 2.35 -1.00 0.00 0.00 179.01 181.06 3ihl h TRP 124 N 0.85 1.03 -0.21 4.33 7.01 -0.36 -2.78 115.95 125.82 3ihl h TRP 124 Ca 0.18 -0.24 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 3ihl h TRP 124 Cb 0.33 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 3ihl h TRP 124 CO 0.02 1.02 0.12 0.28 -2.79 0.00 0.00 178.44 177.10 3ihl h VAL 125 N 0.74 1.09 -0.69 2.65 2.07 -1.10 -1.97 116.25 119.04 3ihl h VAL 125 Ca 0.11 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3ihl h VAL 125 Cb 0.72 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3ihl h VAL 125 CO 0.06 0.09 0.27 0.24 0.02 0.00 0.00 177.57 178.24 3ihl h MET 126 N 0.25 1.03 -0.13 1.57 2.86 -1.45 -0.07 114.93 118.98 3ihl h MET 126 Ca 0.08 -0.18 -0.21 0.00 -2.06 0.00 0.00 59.70 57.33 3ihl h MET 126 Cb 0.04 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.54 3ihl h MET 126 CO -0.01 0.84 -0.74 -0.91 1.06 0.00 0.00 176.91 177.15 3ihl h ASN 127 N 1.00 0.88 -0.41 1.22 2.35 -1.40 -3.10 115.58 116.11 3ihl h ASN 127 Ca 0.23 -0.64 -0.08 0.00 -0.55 0.00 0.00 56.30 55.26 3ihl h ASN 127 Cb 0.20 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3ihl h ASN 127 CO -0.02 1.38 -0.04 1.56 -1.65 0.00 0.00 177.43 178.66 3ihl h GLN 128 N 0.44 0.76 -0.26 0.81 1.08 -1.20 -3.11 115.11 113.62 3ihl h GLN 128 Ca -0.06 -0.26 0.08 0.00 -1.45 0.00 0.00 58.65 56.96 3ihl h GLN 128 Cb 1.38 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.74 3ihl h GLN 128 CO 0.15 0.86 0.19 0.00 -0.95 0.00 0.00 178.83 179.09 3ihl h ALA 129 N 0.87 2.21 0.00 3.87 0.00 -1.04 -2.07 119.26 123.10 3ihl h ALA 129 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ihl h ALA 129 Cb 0.55 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ihl h ALA 129 CO 0.03 -0.33 -0.04 0.87 0.00 0.00 0.00 179.25 179.78 3ihl h LYS 130 N 0.00 0.00 -6.42 0.00 1.57 -1.46 -3.40 116.57 106.86 3ihl h LYS 130 Ca 0.12 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.37 3ihl h LYS 130 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 3ihl h LYS 130 CO -0.00 0.04 0.86 0.08 -0.57 0.00 0.00 179.45 179.86 3ihl s VAL 131 N -3.40 3.45 0.65 0.50 1.01 -0.78 -4.35 120.40 117.48 3ihl s VAL 131 Ca 0.04 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 3ihl s VAL 131 Cb 0.07 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3ihl s VAL 131 CO 0.62 0.01 1.28 -2.84 0.00 0.00 0.00 175.10 174.17 3ihl s PRO 132 N 2.26 2.56 0.27 2.72 0.02 -1.26 -4.68 135.00 136.89 3ihl s PRO 132 Ca 0.67 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.74 3ihl s PRO 132 Cb -0.35 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 3ihl s PRO 132 CO 0.29 -1.58 0.28 1.33 -0.33 0.00 0.00 177.00 176.99 3ihl n VAL 133 N -1.93 0.00 -2.03 3.83 0.24 -1.25 -4.93 118.33 112.25 3ihl n VAL 133 Ca 0.15 -1.73 -0.05 0.00 -2.04 0.00 0.00 64.34 60.67 3ihl n VAL 133 Cb 0.48 0.93 -0.01 0.00 -1.47 0.00 0.00 33.84 33.77 3ihl n VAL 133 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3ihl n ASP 134 N -1.88 -1.95 0.00 -1.34 8.00 -1.26 -0.31 116.55 117.80 3ihl n ASP 134 Ca 0.04 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3ihl n ASP 134 Cb 0.47 -1.86 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 3ihl n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihl n GLY 135 N -0.45 3.23 3.76 0.44 0.00 -1.26 -5.04 105.19 105.87 3ihl n GLY 135 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3ihl n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ihl s ASN 136 N -1.00 5.50 0.05 1.61 0.01 0.57 -4.97 114.94 116.71 3ihl s ASN 136 Ca 0.00 2.34 0.22 0.00 -0.71 0.00 0.00 52.86 54.71 3ihl s ASN 136 Cb 0.00 -2.60 -0.19 0.00 0.41 0.00 0.00 41.25 38.87 3ihl s ASN 136 CO 0.00 -1.38 0.73 0.29 -1.51 0.00 0.00 177.10 175.23 3ihl n LYS 137 N -1.30 0.57 -2.71 -0.60 5.02 -1.26 -3.90 118.16 113.98 3ihl n LYS 137 Ca 0.12 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 3ihl n LYS 137 Cb 0.49 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3ihl n LYS 137 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ihl s GLU 138 N -3.41 3.77 0.25 1.97 8.01 -1.26 -4.82 118.70 123.21 3ihl s GLU 138 Ca -0.04 0.53 -0.31 0.00 0.01 0.00 0.00 54.97 55.16 3ihl s GLU 138 Cb 0.13 -2.33 -0.13 0.00 -4.31 0.00 0.00 34.13 27.48 3ihl s GLU 138 CO 0.86 -0.12 1.43 -1.91 0.01 0.00 0.00 175.26 175.53 3ihl n GLU 139 N -1.51 2.14 -1.65 1.61 2.13 -1.26 -4.65 120.64 117.44 3ihl n GLU 139 Ca 0.03 0.76 -0.39 0.00 0.66 0.00 0.00 57.16 58.22 3ihl n GLU 139 Cb 0.54 -2.43 0.04 0.00 0.27 0.00 0.00 31.44 29.86 3ihl n GLU 139 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3ihl n PRO 140 N 1.98 1.25 -0.00 5.31 -0.02 -1.26 -4.96 135.00 137.30 3ihl n PRO 140 Ca 0.11 0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 3ihl n PRO 140 Cb 0.32 -2.26 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 3ihl n PRO 140 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ihl h GLN 141 N 1.03 0.10 -5.25 -0.52 4.20 -1.23 -3.45 115.11 109.99 3ihl h GLN 141 Ca -0.48 -0.17 -0.44 0.00 0.06 0.00 0.00 58.65 57.61 3ihl h GLN 141 Cb 1.34 0.06 -0.26 0.00 0.30 0.00 0.00 27.48 28.92 3ihl h GLN 141 CO 0.54 0.77 -0.79 0.42 -0.67 0.00 0.00 178.83 179.10 3ihl s ILE 142 N -2.59 1.07 -0.18 2.54 1.01 -0.95 -1.89 121.20 120.21 3ihl s ILE 142 Ca -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3ihl s ILE 142 Cb 0.08 -0.95 0.04 0.00 0.01 0.00 0.00 42.46 41.64 3ihl s ILE 142 CO 0.81 0.08 -0.09 0.00 0.00 0.00 0.00 174.94 175.74 3ihl s VAL 144 N 1.51 5.03 -0.23 0.00 1.01 -0.75 -0.81 120.40 126.17 3ihl s VAL 144 Ca 0.01 0.78 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 3ihl s VAL 144 Cb -0.15 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3ihl s VAL 144 CO -0.08 -0.02 0.04 -0.63 0.00 0.00 0.00 175.10 174.41 3ihl s ILE 145 N 2.39 4.18 -0.32 2.22 1.01 0.58 -1.85 121.20 129.40 3ihl s ILE 145 Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 3ihl s ILE 145 Cb -0.15 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3ihl s ILE 145 CO 0.10 0.38 0.19 -0.70 0.00 0.00 0.00 174.94 174.91 3ihl s GLU 146 N 1.37 3.36 -0.41 2.79 2.12 -0.28 -0.56 118.70 127.08 3ihl s GLU 146 Ca 0.05 -0.72 -0.15 0.00 0.36 0.00 0.00 54.97 54.52 3ihl s GLU 146 Cb -0.15 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.61 3ihl s GLU 146 CO 0.02 -0.44 0.30 -1.17 -0.54 0.00 0.00 175.26 173.43 3ihl s LEU 147 N 1.65 5.11 1.06 2.70 2.96 -0.39 -0.77 118.68 131.00 3ihl s LEU 147 Ca 0.05 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 52.88 3ihl s LEU 147 Cb -0.17 -2.15 0.22 0.00 0.50 0.00 0.00 46.19 44.59 3ihl s LEU 147 CO 0.08 -0.46 1.08 -0.83 -1.32 0.00 0.00 176.35 174.89 3ihl s GLY 148 N 1.74 1.55 0.00 7.98 0.00 -0.35 -4.43 107.32 113.82 3ihl s GLY 148 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3ihl s GLY 148 CO 0.09 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.11 3ihl n GLY 149 N -0.62 -0.46 3.26 0.20 0.00 -1.26 -4.58 105.19 101.73 3ihl n GLY 149 Ca 0.04 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3ihl n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ihl s THR 150 N -1.47 2.39 0.21 2.61 2.01 -1.26 -4.35 115.64 115.77 3ihl s THR 150 Ca 0.00 -0.90 -0.31 0.00 0.31 0.00 0.00 61.69 60.79 3ihl s THR 150 Cb 0.00 -1.95 -0.15 0.00 0.01 0.00 0.00 72.50 70.41 3ihl s THR 150 CO 0.00 0.55 1.12 -0.38 -0.69 0.00 0.00 174.62 175.22 3ihl n ILE 151 N 3.61 1.21 0.00 1.82 2.08 -0.42 -1.99 119.36 125.67 3ihl n ILE 151 Ca -0.19 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 62.82 3ihl n ILE 151 Cb 0.53 -0.90 0.00 0.00 -0.75 0.00 0.00 39.64 38.51 3ihl n ILE 151 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3ihl n GLY 152 N 1.82 1.66 3.74 7.39 0.00 -1.26 -4.64 105.19 113.90 3ihl n GLY 152 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3ihl n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ihl s ASP 153 N -0.04 7.42 0.37 1.61 1.01 -0.84 -4.98 116.67 121.23 3ihl s ASP 153 Ca 0.00 1.97 0.14 0.00 0.71 0.00 0.00 52.55 55.37 3ihl s ASP 153 Cb 0.00 -2.60 0.97 0.00 1.01 0.00 0.00 42.92 42.30 3ihl s ASP 153 CO 0.00 -0.08 1.80 0.40 0.21 0.00 0.00 175.17 177.50 3ihl h ILE 154 N 3.67 0.64 0.00 0.77 2.04 -1.98 -2.57 117.51 120.08 3ihl h ILE 154 Ca -0.44 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3ihl h ILE 154 Cb 1.21 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3ihl h ILE 154 CO 0.71 0.10 -0.10 1.05 0.00 0.00 0.00 178.15 179.90 3ihl h GLU 155 N 0.53 0.00 -0.01 2.37 4.11 -1.93 -2.65 114.58 116.99 3ihl h GLU 155 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 3ihl h GLU 155 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ihl h GLU 155 CO -0.29 0.10 -0.36 0.41 0.07 0.00 0.00 179.01 178.95 3ihl n GLY 156 N -0.81 -0.58 0.14 1.06 0.00 -0.97 -4.47 105.19 99.56 3ihl n GLY 156 Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 3ihl n GLY 156 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ihl h MET 157 N 1.24 0.17 -0.32 1.61 2.86 -1.58 -1.62 114.93 117.29 3ihl h MET 157 Ca 0.00 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 3ihl h MET 157 Cb 0.55 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3ihl h MET 157 CO 0.00 0.81 0.13 -1.35 1.06 0.00 0.00 176.91 177.56 3ihl h PRO 158 N 0.12 0.44 0.13 -0.22 0.11 -1.79 -0.24 132.00 130.54 3ihl h PRO 158 Ca -0.02 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.83 3ihl h PRO 158 Cb 1.26 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.31 3ihl h PRO 158 CO 0.11 0.36 -0.93 0.74 -0.21 0.00 0.00 178.00 178.07 3ihl h PHE 159 N 0.44 0.68 -0.93 0.65 -1.00 -1.76 -1.45 116.94 113.57 3ihl h PHE 159 Ca 0.11 -0.46 0.01 0.00 2.81 0.00 0.00 57.97 60.43 3ihl h PHE 159 Cb 0.09 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 39.56 3ihl h PHE 159 CO 0.00 1.34 0.60 0.28 -1.61 0.00 0.00 178.31 178.92 3ihl h VAL 160 N -0.17 1.24 -0.37 -0.55 2.07 -1.18 -1.19 116.25 116.11 3ihl h VAL 160 Ca -0.15 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 3ihl h VAL 160 Cb 1.70 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3ihl h VAL 160 CO 0.18 0.24 -0.11 -0.08 0.02 0.00 0.00 177.57 177.81 3ihl h GLU 161 N 1.26 0.64 -0.69 1.57 4.57 -1.03 0.22 114.58 121.12 3ihl h GLU 161 Ca 0.34 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3ihl h GLU 161 Cb -0.12 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 3ihl h GLU 161 CO -0.07 0.74 0.39 0.00 -1.18 0.00 0.00 179.01 178.89 3ihl h ALA 162 N 1.29 0.89 0.00 2.92 0.00 -0.37 -2.73 119.26 121.26 3ihl h ALA 162 Ca 0.11 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3ihl h ALA 162 Cb 0.54 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ihl h ALA 162 CO 0.03 0.39 -0.84 0.74 0.00 0.00 0.00 179.25 179.57 3ihl h PHE 163 N 0.95 0.04 -0.64 0.00 0.04 -0.82 -1.29 116.94 115.23 3ihl h PHE 163 Ca 0.25 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 61.08 3ihl h PHE 163 Cb 0.02 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.09 3ihl h PHE 163 CO -0.01 0.86 0.27 -0.09 -0.60 0.00 0.00 178.31 178.74 3ihl h ARG 164 N 0.01 0.47 -0.08 1.51 2.43 -0.77 -1.72 114.38 116.22 3ihl h ARG 164 Ca -0.01 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 3ihl h ARG 164 Cb 1.48 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.94 3ihl h ARG 164 CO 0.11 0.31 -0.84 1.96 -1.51 0.00 0.00 179.97 180.00 3ihl h GLN 165 N 0.48 0.62 -0.59 0.20 4.20 -1.42 -3.33 115.11 115.26 3ihl h GLN 165 Ca 0.32 -0.55 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 3ihl h GLN 165 Cb 0.36 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3ihl h GLN 165 CO -0.28 1.17 0.07 0.35 -0.67 0.00 0.00 178.83 179.46 3ihl h PHE 166 N 0.40 1.04 -0.12 2.96 3.04 -0.88 -2.56 116.94 120.83 3ihl h PHE 166 Ca -0.06 -0.14 0.03 0.00 3.98 0.00 0.00 57.97 61.78 3ihl h PHE 166 Cb 1.46 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.68 3ihl h PHE 166 CO 0.07 0.90 0.10 -0.56 -2.02 0.00 0.00 178.31 176.81 3ihl h GLN 167 N 0.92 0.00 -0.00 1.11 3.07 -1.43 -0.13 115.11 118.65 3ihl h GLN 167 Ca 0.18 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.67 3ihl h GLN 167 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.02 3ihl h GLN 167 CO 0.02 0.00 -1.00 0.74 0.09 0.00 0.00 178.83 178.68 3ihl h PHE 168 N 0.00 0.88 0.40 0.06 0.04 -1.61 -3.36 116.94 113.35 3ihl h PHE 168 Ca 0.06 -0.48 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 3ihl h PHE 168 Cb 0.26 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3ihl h PHE 168 CO 0.00 1.31 -0.19 0.87 -0.60 0.00 0.00 178.31 179.69 3ihl h LYS 169 N 0.34 -0.52 -7.19 1.51 1.57 -1.09 -3.43 116.57 107.75 3ihl h LYS 169 Ca -0.11 0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.17 3ihl h LYS 169 Cb 1.65 0.12 0.17 0.00 0.08 0.00 0.00 32.23 34.24 3ihl h LYS 169 CO 0.19 -0.25 0.37 0.00 -0.57 0.00 0.00 179.45 179.18 3ihl s ALA 170 N -5.37 1.97 0.99 3.86 0.00 -0.19 -5.01 121.76 118.01 3ihl s ALA 170 Ca -0.15 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 3ihl s ALA 170 Cb 0.03 -3.48 0.18 0.00 0.00 0.00 0.00 23.12 19.85 3ihl s ALA 170 CO 0.58 -2.10 1.09 0.15 0.00 0.00 0.00 175.76 175.47 3ihl s LYS 171 N -4.05 0.51 0.17 0.00 1.02 -1.26 -4.83 119.74 111.31 3ihl s LYS 171 Ca 0.74 0.62 -0.09 0.00 0.02 0.00 0.00 55.97 57.26 3ihl s LYS 171 Cb -0.29 -1.74 0.04 0.00 -0.52 0.00 0.00 37.83 35.33 3ihl s LYS 171 CO 0.48 -2.70 1.57 -0.09 -0.92 0.00 0.00 175.35 173.69 3ihl h ARG 172 N -1.87 0.97 0.00 1.68 2.43 -1.88 -2.70 114.38 113.00 3ihl h ARG 172 Ca -0.54 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.23 3ihl h ARG 172 Cb 1.32 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3ihl h ARG 172 CO 0.56 1.07 0.00 -0.85 -1.51 0.00 0.00 179.97 179.24 3ihl n GLU 173 N -4.11 0.71 -0.01 0.20 0.28 -1.26 -2.58 120.64 113.86 3ihl n GLU 173 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 3ihl n GLU 173 Cb 0.45 -1.18 0.02 0.00 1.43 0.00 0.00 31.44 32.16 3ihl n GLU 173 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3ihl n ASN 174 N -0.68 2.01 -3.67 -1.84 3.02 -1.02 -4.50 115.26 108.58 3ihl n ASN 174 Ca 0.06 -2.16 -0.10 0.00 -0.03 0.00 0.00 54.58 52.36 3ihl n ASN 174 Cb 0.03 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.04 3ihl n ASN 174 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ihl s PHE 175 N -1.28 -0.79 0.19 3.10 5.36 -1.06 -0.51 117.98 122.98 3ihl s PHE 175 Ca 0.05 1.68 -0.07 0.00 -0.96 0.00 0.00 56.93 57.63 3ihl s PHE 175 Cb 0.05 0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 43.11 3ihl s PHE 175 CO 0.00 -0.41 0.28 0.00 -1.46 0.00 0.00 175.22 173.63 3ihl s ASN 177 N -3.03 0.38 -0.07 0.00 2.20 -1.26 -1.74 114.94 111.41 3ihl s ASN 177 Ca 0.24 -0.32 0.05 0.00 -0.94 0.00 0.00 52.86 51.89 3ihl s ASN 177 Cb 0.04 0.03 -0.00 0.00 -2.00 0.00 0.00 41.25 39.32 3ihl s ASN 177 CO 0.05 -0.14 -0.22 -0.63 -2.94 0.00 0.00 177.10 173.22 3ihl s ILE 178 N -0.84 1.85 -0.19 0.54 1.01 0.11 -0.95 121.20 122.72 3ihl s ILE 178 Ca -0.08 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 3ihl s ILE 178 Cb -0.06 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.83 3ihl s ILE 178 CO -0.00 0.52 -0.15 -2.28 0.00 0.00 0.00 174.94 173.02 3ihl s HIS 179 N 0.16 2.85 -0.35 3.97 2.46 -0.26 -0.95 115.29 123.18 3ihl s HIS 179 Ca -0.11 -1.47 -0.13 0.00 0.47 0.00 0.00 55.06 53.82 3ihl s HIS 179 Cb -0.15 -1.97 -0.01 0.00 -0.13 0.00 0.00 32.58 30.31 3ihl s HIS 179 CO 0.06 -0.74 0.26 0.08 -2.47 0.00 0.00 174.74 171.93 3ihl s VAL 180 N 1.34 5.27 0.06 0.89 1.01 0.37 -0.35 120.40 129.00 3ihl s VAL 180 Ca 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3ihl s VAL 180 Cb -0.14 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3ihl s VAL 180 CO -0.10 -0.04 -0.06 -0.55 0.00 0.00 0.00 175.10 174.34 3ihl s SER 181 N 1.72 0.86 -0.09 3.32 0.15 -0.10 0.16 113.70 119.72 3ihl s SER 181 Ca 0.07 -0.77 -0.23 0.00 0.70 0.00 0.00 55.95 55.71 3ihl s SER 181 Cb -0.17 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 3ihl s SER 181 CO 0.11 -0.36 0.70 -0.22 1.20 0.00 0.00 173.24 174.67 3ihl s LEU 182 N -2.28 4.29 -0.63 3.45 2.96 -1.25 -0.49 118.68 124.73 3ihl s LEU 182 Ca -0.00 1.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.98 3ihl s LEU 182 Cb -0.02 -3.08 0.16 0.00 0.50 0.00 0.00 46.19 43.76 3ihl s LEU 182 CO -0.03 -0.15 0.51 -0.69 -1.32 0.00 0.00 176.35 174.66 3ihl s VAL 183 N 1.01 4.46 0.77 1.68 1.01 0.01 -3.98 120.40 125.36 3ihl s VAL 183 Ca 0.37 -2.41 -0.12 0.00 0.00 0.00 0.00 61.98 59.82 3ihl s VAL 183 Cb -0.17 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.39 3ihl s VAL 183 CO 0.17 -0.89 1.12 -2.16 0.00 0.00 0.00 175.10 173.33 3ihl s PRO 184 N 0.49 2.35 -0.30 2.72 0.04 -1.25 -4.49 135.00 134.56 3ihl s PRO 184 Ca 0.13 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 3ihl s PRO 184 Cb -0.19 -1.97 0.19 0.00 0.04 0.00 0.00 34.50 32.57 3ihl s PRO 184 CO -0.04 -1.39 0.59 -1.14 0.04 0.00 0.00 177.00 175.06 3ihl s GLN 185 N -5.34 0.56 0.29 4.56 0.74 -1.26 -1.91 119.66 117.31 3ihl s GLN 185 Ca 0.60 0.98 -0.29 0.00 0.05 0.00 0.00 55.36 56.70 3ihl s GLN 185 Cb -0.12 0.51 -0.10 0.00 1.10 0.00 0.00 33.01 34.40 3ihl s GLN 185 CO 0.52 -0.63 1.24 -0.51 -0.55 0.00 0.00 175.29 175.37 3ihl s LEU 186 N 2.85 4.46 0.42 3.68 1.43 -1.26 -4.93 118.68 125.33 3ihl s LEU 186 Ca 0.21 2.51 0.15 0.00 -1.03 0.00 0.00 54.13 55.96 3ihl s LEU 186 Cb -0.15 -3.64 0.91 0.00 0.03 0.00 0.00 46.19 43.35 3ihl s LEU 186 CO -0.21 -0.41 1.92 0.77 0.23 0.00 0.00 176.35 178.65 3ihl h SER 187 N 3.87 0.00 -0.51 2.29 4.64 -1.97 0.39 113.55 122.26 3ihl h SER 187 Ca -0.47 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.94 3ihl h SER 187 Cb 1.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 3ihl h SER 187 CO 0.68 0.27 0.05 0.00 -0.87 0.00 0.00 176.83 176.96 3ihl h ALA 188 N 1.73 0.54 0.00 5.18 0.00 -2.02 -3.30 119.26 121.39 3ihl h ALA 188 Ca -0.00 0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 3ihl h ALA 188 Cb 0.49 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3ihl h ALA 188 CO 0.03 -0.35 -2.11 0.25 0.00 0.00 0.00 179.25 177.07 3ihl n THR 189 N -5.18 1.11 -1.02 0.00 -2.24 -1.21 -5.02 114.28 100.72 3ihl n THR 189 Ca 0.06 -0.59 -0.01 0.00 -2.27 0.00 0.00 64.05 61.24 3ihl n THR 189 Cb 0.27 -0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 67.70 3ihl n THR 189 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ihl n GLY 190 N 2.20 0.46 3.61 3.38 0.00 0.12 -5.01 105.19 109.96 3ihl n GLY 190 Ca -0.29 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3ihl n GLY 190 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ihl s GLU 191 N -0.66 3.97 0.23 1.61 2.02 -1.26 -4.96 118.70 119.64 3ihl s GLU 191 Ca 0.00 0.52 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 3ihl s GLU 191 Cb 0.00 -3.72 -0.09 0.00 0.10 0.00 0.00 34.13 30.43 3ihl s GLU 191 CO 0.00 -0.62 1.16 -0.65 0.02 0.00 0.00 175.26 175.18 3ihl s GLN 192 N 2.81 4.54 -0.04 1.61 -0.21 -1.26 -4.34 119.66 122.77 3ihl s GLN 192 Ca 0.30 1.86 0.05 0.00 0.02 0.00 0.00 55.36 57.60 3ihl s GLN 192 Cb -0.15 -3.21 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 3ihl s GLN 192 CO 0.12 0.02 -0.19 0.15 -2.12 0.00 0.00 175.29 173.26 3ihl s LYS 193 N -0.78 2.39 -0.01 2.91 -0.14 -0.80 -5.01 119.74 118.29 3ihl s LYS 193 Ca 0.49 -0.80 0.17 0.00 -1.36 0.00 0.00 55.97 54.48 3ihl s LYS 193 Cb -0.33 -2.24 -0.23 0.00 -1.68 0.00 0.00 37.83 33.35 3ihl s LYS 193 CO 0.39 0.57 0.54 0.25 -0.76 0.00 0.00 175.35 176.34 3ihl n THR 194 N 2.45 0.00 -0.17 2.17 -2.24 -1.26 -3.93 114.28 111.30 3ihl n THR 194 Ca -0.17 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 3ihl n THR 194 Cb 0.52 0.54 0.07 0.00 -2.10 0.00 0.00 70.33 69.36 3ihl n THR 194 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3ihl h LYS 195 N 0.00 0.30 -0.87 -0.78 3.64 -1.95 -0.84 116.57 116.08 3ihl h LYS 195 Ca 0.00 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3ihl h LYS 195 Cb 0.60 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 3ihl h LYS 195 CO 0.00 0.20 0.57 -1.35 -2.27 0.00 0.00 179.45 176.60 3ihl h PRO 196 N 0.31 0.96 -0.25 1.90 0.11 -1.85 -0.52 132.00 132.66 3ihl h PRO 196 Ca 0.26 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 3ihl h PRO 196 Cb 0.31 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3ihl h PRO 196 CO -0.29 0.64 -0.47 1.15 -0.21 0.00 0.00 178.00 178.81 3ihl h THR 197 N 0.99 1.30 -0.23 -1.15 2.02 -1.45 -1.71 112.91 112.68 3ihl h THR 197 Ca 0.37 -1.67 0.04 0.00 0.77 0.00 0.00 66.41 65.91 3ihl h THR 197 Cb 0.18 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 3ihl h THR 197 CO -0.13 0.53 0.01 1.56 0.37 0.00 0.00 175.52 177.86 3ihl h GLN 198 N 0.53 0.08 -0.10 6.66 4.20 -0.47 0.13 115.11 126.15 3ihl h GLN 198 Ca 0.03 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3ihl h GLN 198 Cb 1.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3ihl h GLN 198 CO 0.10 0.05 -0.33 -0.91 -0.67 0.00 0.00 178.83 177.07 3ihl h ASN 199 N 0.09 0.20 -0.14 1.46 2.35 -1.06 -1.54 115.58 116.93 3ihl h ASN 199 Ca 0.11 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3ihl h ASN 199 Cb 0.13 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3ihl h ASN 199 CO -0.17 0.52 -0.35 -1.28 -1.65 0.00 0.00 177.43 174.50 3ihl h SER 200 N 0.17 0.55 -0.70 5.81 0.87 -0.94 -1.61 113.55 117.69 3ihl h SER 200 Ca 0.02 -0.58 -0.06 0.00 -1.23 0.00 0.00 61.79 59.94 3ihl h SER 200 Cb 0.67 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 3ihl h SER 200 CO 0.05 1.03 0.19 0.58 -0.53 0.00 0.00 176.83 178.15 3ihl h VAL 201 N 0.09 1.26 -0.42 2.23 2.07 -0.65 -1.46 116.25 119.37 3ihl h VAL 201 Ca -0.00 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 3ihl h VAL 201 Cb 0.96 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3ihl h VAL 201 CO 0.08 0.36 -0.07 -0.09 0.02 0.00 0.00 177.57 177.87 3ihl h ARG 202 N 1.06 0.72 -0.18 1.57 2.43 -1.24 -1.71 114.38 117.03 3ihl h ARG 202 Ca 0.22 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3ihl h ARG 202 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3ihl h ARG 202 CO -0.00 0.78 -0.28 0.00 -1.51 0.00 0.00 179.97 178.96 3ihl h ALA 203 N 1.26 1.18 -0.28 2.80 0.00 -0.88 0.91 119.26 124.26 3ihl h ALA 203 Ca 0.12 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3ihl h ALA 203 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ihl h ALA 203 CO 0.03 0.53 -0.31 1.25 0.00 0.00 0.00 179.25 180.74 3ihl h LEU 204 N 0.31 0.76 -0.80 0.00 5.85 -0.88 -2.34 115.31 118.20 3ihl h LEU 204 Ca 0.04 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3ihl h LEU 204 Cb 0.66 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3ihl h LEU 204 CO 0.05 1.09 0.46 -0.09 -0.34 0.00 0.00 178.44 179.61 3ihl h ARG 205 N 0.44 1.10 -0.84 1.25 9.65 -0.79 -2.05 114.38 123.14 3ihl h ARG 205 Ca 0.04 -0.11 0.10 0.00 -1.10 0.00 0.00 59.98 58.91 3ihl h ARG 205 Cb 0.89 -0.22 -0.06 0.00 -1.39 0.00 0.00 29.97 29.19 3ihl h ARG 205 CO 0.08 0.79 0.55 0.78 2.80 0.00 0.00 179.97 184.97 3ihl h GLY 206 N 1.10 1.16 -0.44 2.80 0.00 -0.48 -0.83 103.07 106.39 3ihl h GLY 206 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3ihl h GLY 206 CO -0.05 0.18 0.00 1.04 0.00 0.00 0.00 176.54 177.71 3ihl n LEU 207 N -4.52 1.45 0.00 3.11 4.77 -0.83 -4.93 117.00 116.05 3ihl n LEU 207 Ca 0.14 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3ihl n LEU 207 Cb 0.33 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3ihl n LEU 207 CO 0.31 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3ihl n GLY 208 N 1.16 0.90 3.50 -0.72 0.00 -0.32 -4.69 105.19 105.03 3ihl n GLY 208 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3ihl n GLY 208 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihl s LEU 209 N 0.00 2.85 -0.21 0.99 1.43 -0.88 -4.77 118.68 118.09 3ihl s LEU 209 Ca 0.00 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3ihl s LEU 209 Cb 0.00 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3ihl s LEU 209 CO 0.00 0.35 -0.13 -0.55 0.23 0.00 0.00 176.35 176.24 3ihl s SER 210 N -0.79 3.76 0.14 2.29 0.15 -1.26 -2.15 113.70 115.84 3ihl s SER 210 Ca 0.12 -0.76 -0.31 0.00 0.70 0.00 0.00 55.95 55.69 3ihl s SER 210 Cb -0.11 -1.57 -0.09 0.00 -1.71 0.00 0.00 66.02 62.54 3ihl s SER 210 CO 0.01 -0.06 1.46 -2.16 1.20 0.00 0.00 173.24 173.69 3ihl s PRO 211 N 1.30 4.28 0.31 5.44 0.04 -1.26 -4.78 135.00 140.33 3ihl s PRO 211 Ca 0.02 2.19 0.17 0.00 0.04 0.00 0.00 61.00 63.42 3ihl s PRO 211 Cb -0.15 -3.21 0.16 0.00 0.04 0.00 0.00 34.50 31.35 3ihl s PRO 211 CO -0.08 -0.50 1.49 -0.44 0.04 0.00 0.00 177.00 177.51 3ihl h ASP 212 N 6.72 0.00 -3.63 6.66 3.32 -1.44 -3.44 116.42 124.60 3ihl h ASP 212 Ca -0.42 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.34 3ihl h ASP 212 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 3ihl h ASP 212 CO 0.88 0.42 -0.73 -0.76 -1.72 0.00 0.00 179.24 177.32 3ihl s LEU 213 N -6.46 1.53 -0.33 1.55 1.43 -1.18 -4.79 118.68 110.43 3ihl s LEU 213 Ca 0.04 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3ihl s LEU 213 Cb 0.07 -0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.21 3ihl s LEU 213 CO 0.73 -0.05 0.13 -0.63 0.23 0.00 0.00 176.35 176.76 3ihl s ILE 214 N 0.54 4.16 -0.48 -0.59 1.01 -0.01 -1.10 121.20 124.74 3ihl s ILE 214 Ca -0.05 -0.85 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 3ihl s ILE 214 Cb -0.07 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 39.18 3ihl s ILE 214 CO -0.01 -0.10 0.60 -0.69 0.00 0.00 0.00 174.94 174.74 3ihl s VAL 215 N 1.50 4.89 -0.33 2.92 1.01 0.53 -1.15 120.40 129.78 3ihl s VAL 215 Ca 0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 3ihl s VAL 215 Cb -0.18 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3ihl s VAL 215 CO 0.04 -0.70 0.73 0.00 0.00 0.00 0.00 175.10 175.17 3ihl s ARG 217 N 2.88 4.17 0.06 0.00 1.81 0.36 -1.47 118.95 126.76 3ihl s ARG 217 Ca 0.30 -0.15 -0.07 0.00 -1.72 0.00 0.00 55.73 54.09 3ihl s ARG 217 Cb -0.14 -3.46 -0.01 0.00 -0.45 0.00 0.00 34.95 30.89 3ihl s ARG 217 CO 0.14 0.20 0.13 -1.54 -0.68 0.00 0.00 175.30 173.55 3ihl s SER 218 N 0.62 0.17 0.15 0.23 1.04 -1.21 -0.81 113.70 113.89 3ihl s SER 218 Ca 0.10 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.78 3ihl s SER 218 Cb -0.12 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.30 3ihl s SER 218 CO 0.01 -0.61 1.66 0.28 0.98 0.00 0.00 173.24 175.56 3ihl h SER 219 N 3.21 0.73 -2.20 7.02 0.02 -1.92 -0.08 113.55 120.31 3ihl h SER 219 Ca -0.33 -0.22 -0.60 0.00 -0.84 0.00 0.00 61.79 59.79 3ihl h SER 219 Cb 1.18 -0.19 -0.14 0.00 0.14 0.00 0.00 62.40 63.39 3ihl h SER 219 CO 0.54 0.76 -0.74 0.42 -1.14 0.00 0.00 176.83 176.68 3ihl s THR 220 N -5.33 2.37 0.38 -2.27 -4.23 -1.26 -3.81 115.64 101.49 3ihl s THR 220 Ca -0.13 -2.35 -0.27 0.00 -1.18 0.00 0.00 61.69 57.76 3ihl s THR 220 Cb 0.11 -2.37 -0.11 0.00 1.34 0.00 0.00 72.50 71.47 3ihl s THR 220 CO 0.79 -0.36 1.35 -2.65 -0.54 0.00 0.00 174.62 173.21 3ihl n PRO 221 N -0.65 2.25 -2.55 3.99 -0.02 -1.26 -4.85 135.00 131.92 3ihl n PRO 221 Ca -0.05 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 3ihl n PRO 221 Cb 0.61 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3ihl n PRO 221 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ihl s ILE 222 N -1.13 4.44 0.74 4.25 1.01 -1.26 -5.05 121.20 124.20 3ihl s ILE 222 Ca 0.56 1.74 -0.09 0.00 0.00 0.00 0.00 60.65 62.87 3ihl s ILE 222 Cb -0.52 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 37.90 3ihl s ILE 222 CO 0.61 0.07 1.08 -1.61 0.00 0.00 0.00 174.94 175.10 3ihl s GLU 223 N 1.57 2.16 0.14 2.79 0.41 -1.26 -4.87 118.70 119.65 3ihl s GLU 223 Ca 0.54 -0.05 -0.12 0.00 -0.41 0.00 0.00 54.97 54.94 3ihl s GLU 223 Cb -0.24 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 29.99 3ihl s GLU 223 CO 0.25 -1.36 1.48 0.52 -0.49 0.00 0.00 175.26 175.66 3ihl h MET 224 N -0.78 0.91 -0.35 1.61 2.86 -1.98 -0.30 114.93 116.90 3ihl h MET 224 Ca -0.45 -0.46 0.08 0.00 -2.06 0.00 0.00 59.70 56.80 3ihl h MET 224 Cb 1.32 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.90 3ihl h MET 224 CO 0.63 1.11 -0.27 0.00 1.06 0.00 0.00 176.91 179.44 3ihl h ALA 225 N 0.78 -0.11 -0.27 6.32 0.00 -1.99 0.91 119.26 124.90 3ihl h ALA 225 Ca 0.07 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3ihl h ALA 225 Cb 0.92 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3ihl h ALA 225 CO 0.09 -0.67 -0.32 0.28 0.00 0.00 0.00 179.25 178.62 3ihl h VAL 226 N -0.23 1.28 -0.82 0.00 2.07 -1.87 -2.05 116.25 114.64 3ihl h VAL 226 Ca 0.17 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 3ihl h VAL 226 Cb 0.50 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3ihl h VAL 226 CO -0.48 0.45 0.38 0.50 0.02 0.00 0.00 177.57 178.44 3ihl h LYS 227 N 0.48 1.19 -0.13 1.57 3.64 -0.65 -2.34 116.57 120.33 3ihl h LYS 227 Ca 0.06 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 3ihl h LYS 227 Cb 0.79 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3ihl h LYS 227 CO 0.06 0.93 -0.52 1.49 -2.27 0.00 0.00 179.45 179.14 3ihl h GLU 228 N 1.17 0.37 -0.60 1.90 4.81 -0.63 -2.88 114.58 118.72 3ihl h GLU 228 Ca 0.28 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3ihl h GLU 228 Cb 0.14 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3ihl h GLU 228 CO -0.03 0.80 0.29 -0.22 -0.73 0.00 0.00 179.01 179.12 3ihl h LYS 229 N 0.29 0.85 -0.34 1.92 3.64 -1.04 -0.34 116.57 121.54 3ihl h LYS 229 Ca 0.01 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3ihl h LYS 229 Cb 1.02 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3ihl h LYS 229 CO 0.09 0.66 -0.17 0.82 -2.27 0.00 0.00 179.45 178.58 3ihl h ILE 230 N 0.85 1.29 -0.11 2.00 2.04 -1.37 -0.22 117.51 121.98 3ihl h ILE 230 Ca 0.21 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.82 3ihl h ILE 230 Cb 0.09 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3ihl h ILE 230 CO -0.03 0.42 -0.09 -1.28 0.00 0.00 0.00 178.15 177.17 3ihl h SER 231 N 0.49 -0.29 0.51 1.72 0.87 -1.24 -1.71 113.55 113.90 3ihl h SER 231 Ca 0.08 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3ihl h SER 231 Cb 0.70 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 3ihl h SER 231 CO 0.05 -0.13 -0.42 0.24 -0.53 0.00 0.00 176.83 176.05 3ihl h MET 232 N -0.11 -0.87 0.11 2.24 2.86 -1.01 -3.06 114.93 115.10 3ihl h MET 232 Ca 0.08 0.06 -0.27 0.00 -2.06 0.00 0.00 59.70 57.51 3ihl h MET 232 Cb 0.22 0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.08 3ihl h MET 232 CO -0.18 -0.58 -1.20 0.74 1.06 0.00 0.00 176.91 176.76 3ihl h PHE 233 N -0.90 0.56 -4.20 -0.22 -1.00 -1.03 -3.40 116.94 106.76 3ihl h PHE 233 Ca -0.07 -0.39 -0.45 0.00 2.81 0.00 0.00 57.97 59.87 3ihl h PHE 233 Cb 0.76 -0.03 0.14 0.00 3.61 0.00 0.00 35.95 40.42 3ihl h PHE 233 CO -0.16 1.28 0.35 0.00 -1.61 0.00 0.00 178.31 178.16 3ihl n HIS 235 N -3.75 3.10 -3.88 0.00 8.25 -1.26 -4.66 115.22 113.01 3ihl n HIS 235 Ca 0.10 -4.12 -0.09 0.00 -0.26 0.00 0.00 57.72 53.35 3ihl n HIS 235 Cb 0.60 -0.53 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 3ihl n HIS 235 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3ihl s VAL 236 N -2.07 0.10 0.65 1.59 -7.23 -1.16 -5.11 120.40 107.17 3ihl s VAL 236 Ca 0.36 -1.21 -0.13 0.00 -1.81 0.00 0.00 61.98 59.18 3ihl s VAL 236 Cb 0.10 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 3ihl s VAL 236 CO -0.06 -0.45 1.06 0.20 -0.31 0.00 0.00 175.10 175.54 3ihl s ASN 237 N -2.90 5.54 0.28 4.85 0.01 -1.26 -4.57 114.94 116.89 3ihl s ASN 237 Ca 0.10 1.74 0.02 0.00 -0.71 0.00 0.00 52.86 54.01 3ihl s ASN 237 Cb 0.04 -2.52 0.65 0.00 0.41 0.00 0.00 41.25 39.83 3ihl s ASN 237 CO -0.06 -1.33 1.74 -0.65 -1.51 0.00 0.00 177.10 175.29 3ihl h PRO 238 N -0.12 0.56 0.00 -0.60 0.11 -1.95 -1.72 132.00 128.28 3ihl h PRO 238 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ihl h PRO 238 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ihl h PRO 238 CO 0.57 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 3ihl n GLU 239 N -4.91 0.05 0.00 1.05 0.28 -1.26 -1.67 120.64 114.18 3ihl n GLU 239 Ca 0.20 0.24 0.13 0.00 -0.16 0.00 0.00 57.16 57.58 3ihl n GLU 239 Cb 0.54 -1.50 0.41 0.00 1.43 0.00 0.00 31.44 32.32 3ihl n GLU 239 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3ihl n GLN 240 N -1.45 1.47 -3.48 3.44 6.02 -0.65 -4.74 117.38 118.00 3ihl n GLN 240 Ca 0.04 -0.93 -0.43 0.00 -0.01 0.00 0.00 57.00 55.67 3ihl n GLN 240 Cb 0.14 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 3ihl n GLN 240 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ihl s VAL 241 N -2.17 4.99 -0.20 5.09 1.01 -0.67 -0.83 120.40 127.63 3ihl s VAL 241 Ca 0.32 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3ihl s VAL 241 Cb 0.20 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3ihl s VAL 241 CO 0.40 -0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.45 3ihl s ILE 242 N 1.61 3.91 -0.21 2.22 -1.09 -0.30 -4.99 121.20 122.35 3ihl s ILE 242 Ca 0.04 -0.33 -0.08 0.00 -2.23 0.00 0.00 60.65 58.05 3ihl s ILE 242 Cb -0.21 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 3ihl s ILE 242 CO 0.07 0.44 0.08 0.00 -1.23 0.00 0.00 174.94 174.30 3ihl s ILE 244 N 0.90 0.91 0.65 0.00 -1.09 -0.54 -4.90 121.20 117.12 3ihl s ILE 244 Ca 0.04 -1.12 -0.05 0.00 -2.23 0.00 0.00 60.65 57.29 3ihl s ILE 244 Cb -0.14 -1.51 0.04 0.00 -1.58 0.00 0.00 42.46 39.28 3ihl s ILE 244 CO 0.03 -0.43 0.94 -1.38 -1.23 0.00 0.00 174.94 172.87 3ihl s HIS 245 N 1.64 2.98 0.05 3.97 -3.43 -1.26 -3.32 115.29 115.92 3ihl s HIS 245 Ca 0.04 0.40 -0.33 0.00 -0.80 0.00 0.00 55.06 54.37 3ihl s HIS 245 Cb -0.17 -3.01 -0.12 0.00 -1.43 0.00 0.00 32.58 27.84 3ihl s HIS 245 CO -0.16 -1.18 1.78 -0.25 -2.00 0.00 0.00 174.74 172.93 3ihl n ASP 246 N -2.74 3.53 -4.64 7.38 8.00 -0.04 -4.88 116.55 123.15 3ihl n ASP 246 Ca 0.07 1.01 -0.26 0.00 0.71 0.00 0.00 54.79 56.32 3ihl n ASP 246 Cb 0.60 -1.44 -0.09 0.00 -0.02 0.00 0.00 41.12 40.16 3ihl n ASP 246 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ihl s VAL 247 N 2.74 2.34 -1.36 2.53 -7.23 -1.26 -4.89 120.40 113.26 3ihl s VAL 247 Ca 0.85 -1.95 0.26 0.00 -1.81 0.00 0.00 61.98 59.33 3ihl s VAL 247 Cb -0.62 -2.87 0.15 0.00 0.56 0.00 0.00 36.38 33.60 3ihl s VAL 247 CO 0.43 -0.10 1.53 -1.54 -0.31 0.00 0.00 175.10 175.10 3ihl n SER 248 N -1.00 0.70 -3.69 4.85 3.41 -1.26 -4.83 113.62 111.81 3ihl n SER 248 Ca -0.04 -0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 57.94 3ihl n SER 248 Cb 0.64 0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 3ihl n SER 248 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ihl s SER 249 N -2.75 -0.59 0.06 4.04 0.15 -1.26 -5.05 113.70 108.30 3ihl s SER 249 Ca 0.18 1.05 0.17 0.00 0.70 0.00 0.00 55.95 58.05 3ihl s SER 249 Cb 0.18 0.99 0.71 0.00 -1.71 0.00 0.00 66.02 66.19 3ihl s SER 249 CO 0.60 -0.19 1.53 0.35 1.20 0.00 0.00 173.24 176.73 3ihl n THR 250 N 3.59 0.96 0.29 6.45 -2.24 -1.26 -1.43 114.28 120.63 3ihl n THR 250 Ca -0.18 0.24 0.18 0.00 -2.27 0.00 0.00 64.05 62.02 3ihl n THR 250 Cb 0.56 -1.04 0.81 0.00 -2.10 0.00 0.00 70.33 68.57 3ihl n THR 250 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3ihl h TYR 251 N 0.00 0.00 0.00 4.78 -0.00 -2.00 -2.30 116.97 117.45 3ihl h TYR 251 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 3ihl h TYR 251 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.00 3ihl h TYR 251 CO 0.00 0.03 -0.28 0.00 -0.00 0.00 0.00 178.16 177.91 3ihl h ARG 252 N 0.00 0.00 -0.12 0.10 3.08 -1.68 -3.28 114.38 112.48 3ihl h ARG 252 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3ihl h ARG 252 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3ihl h ARG 252 CO 0.00 0.28 -0.07 0.28 -1.07 0.00 0.00 179.97 179.39 3ihl h VAL 253 N 0.00 0.77 0.00 2.04 2.07 -1.60 0.22 116.25 119.76 3ihl h VAL 253 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3ihl h VAL 253 Cb 0.72 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3ihl h VAL 253 CO 0.04 0.00 -0.29 1.55 0.02 0.00 0.00 177.57 178.88 3ihl h PRO 254 N -0.07 0.00 0.16 1.57 0.13 -1.75 -0.50 132.00 131.54 3ihl h PRO 254 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3ihl h PRO 254 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 3ihl h PRO 254 CO -0.17 0.29 -0.08 0.28 -0.23 0.00 0.00 178.00 178.10 3ihl h VAL 255 N 0.00 0.86 -0.75 1.56 2.07 -1.38 -1.20 116.25 117.42 3ihl h VAL 255 Ca -0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3ihl h VAL 255 Cb 0.58 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3ihl h VAL 255 CO 0.04 0.02 0.47 -0.07 0.02 0.00 0.00 177.57 178.04 3ihl h LEU 256 N -0.25 0.89 -0.50 2.57 3.38 -0.10 -1.20 115.31 120.10 3ihl h LEU 256 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ihl h LEU 256 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ihl h LEU 256 CO 0.04 0.68 0.33 -0.07 0.09 0.00 0.00 178.44 179.51 3ihl h LEU 257 N 1.02 0.58 -1.26 1.67 3.38 -1.01 -2.20 115.31 117.49 3ihl h LEU 257 Ca 0.27 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3ihl h LEU 257 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ihl h LEU 257 CO -0.05 0.42 -0.36 -0.33 0.09 0.00 0.00 178.44 178.21 3ihl h GLU 258 N 0.68 0.00 0.00 1.13 5.08 -0.96 -2.54 114.58 117.98 3ihl h GLU 258 Ca 0.18 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3ihl h GLU 258 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3ihl h GLU 258 CO -0.04 0.36 -0.19 1.49 -1.00 0.00 0.00 179.01 179.63 3ihl h GLU 259 N 0.00 0.00 -0.59 2.33 4.81 -0.62 -2.16 114.58 118.35 3ihl h GLU 259 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 3ihl h GLU 259 Cb 0.68 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.89 3ihl h GLU 259 CO 0.05 0.19 0.20 1.04 -0.73 0.00 0.00 179.01 179.76 3ihl n GLN 260 N -3.73 2.18 -2.65 1.92 6.02 -0.98 -4.95 117.38 115.18 3ihl n GLN 260 Ca -0.02 -3.10 -0.19 0.00 -0.01 0.00 0.00 57.00 53.69 3ihl n GLN 260 Cb 0.31 -1.97 0.01 0.00 1.02 0.00 0.00 30.24 29.61 3ihl n GLN 260 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ihl n SER 261 N -1.03 -5.36 0.23 1.08 7.64 -0.81 -4.87 113.62 110.50 3ihl n SER 261 Ca 0.42 -0.14 0.06 0.00 1.01 0.00 0.00 58.87 60.22 3ihl n SER 261 Cb 1.27 -4.30 0.55 0.00 -1.01 0.00 0.00 64.21 60.72 3ihl n SER 261 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3ihl h ILE 262 N -0.66 1.08 -0.03 0.44 2.10 -1.71 -1.94 117.51 116.79 3ihl h ILE 262 Ca -0.44 -0.44 -0.02 0.00 1.08 0.00 0.00 64.86 65.03 3ihl h ILE 262 Cb 1.31 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.28 3ihl h ILE 262 CO 0.49 0.13 -0.07 0.58 -1.08 0.00 0.00 178.15 178.20 3ihl h VAL 263 N 0.00 1.44 -0.66 2.19 2.07 -1.89 -1.12 116.25 118.28 3ihl h VAL 263 Ca -0.00 -1.41 0.13 0.00 0.82 0.00 0.00 66.70 66.24 3ihl h VAL 263 Cb 0.23 2.30 -0.13 0.00 -1.52 0.00 0.00 31.29 32.17 3ihl h VAL 263 CO 0.02 0.38 -0.21 0.50 0.02 0.00 0.00 177.57 178.28 3ihl h LYS 264 N -0.43 -0.04 0.23 1.57 3.64 -1.90 0.17 116.57 119.82 3ihl h LYS 264 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3ihl h LYS 264 Cb 0.66 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3ihl h LYS 264 CO 0.02 -0.03 -0.29 -0.92 -2.27 0.00 0.00 179.45 175.96 3ihl h TYR 265 N -0.04 -0.79 -0.32 1.91 3.20 -1.27 -2.40 116.97 117.26 3ihl h TYR 265 Ca 0.31 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 3ihl h TYR 265 Cb 0.51 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3ihl h TYR 265 CO -0.57 -0.41 0.04 0.74 -1.64 0.00 0.00 178.16 176.32 3ihl h PHE 266 N -0.58 0.49 0.13 -3.82 0.04 -0.53 0.15 116.94 112.82 3ihl h PHE 266 Ca 0.00 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3ihl h PHE 266 Cb 0.56 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3ihl h PHE 266 CO -0.21 0.46 -0.11 -0.22 -0.60 0.00 0.00 178.31 177.63 3ihl h LYS 267 N 0.47 -0.25 -0.36 1.51 3.64 -0.47 -1.12 116.57 119.99 3ihl h LYS 267 Ca 0.11 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3ihl h LYS 267 Cb 0.24 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3ihl h LYS 267 CO 0.00 -0.17 -0.01 0.93 -2.27 0.00 0.00 179.45 177.94 3ihl h GLU 268 N -0.26 0.64 -0.04 1.90 5.08 -1.04 0.04 114.58 120.91 3ihl h GLU 268 Ca -0.00 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 57.97 3ihl h GLU 268 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3ihl h GLU 268 CO -0.02 0.76 -0.78 -0.09 -1.00 0.00 0.00 179.01 177.88 3ihl h ARG 269 N 0.45 0.29 -0.11 2.33 9.65 -0.66 -3.28 114.38 123.05 3ihl h ARG 269 Ca 0.10 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3ihl h ARG 269 Cb 0.47 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 3ihl h ARG 269 CO 0.02 0.93 0.00 1.28 2.80 0.00 0.00 179.97 185.00 3ihl n LEU 270 N -3.77 2.07 -3.44 3.80 4.77 -0.43 -4.54 117.00 115.46 3ihl n LEU 270 Ca -0.04 -1.40 -0.15 0.00 -0.03 0.00 0.00 56.01 54.40 3ihl n LEU 270 Cb 0.74 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.77 3ihl n LEU 270 CO 0.47 0.47 0.05 1.41 -1.33 0.00 0.00 177.39 178.46 3ihl n HIS 271 N 0.37 -2.44 -3.99 -1.77 8.25 -0.04 -4.75 115.22 110.86 3ihl n HIS 271 Ca 0.06 0.90 -0.36 0.00 -0.26 0.00 0.00 57.72 58.06 3ihl n HIS 271 Cb 0.27 -3.50 -0.07 0.00 1.12 0.00 0.00 29.99 27.82 3ihl n HIS 271 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ihl s LEU 272 N -4.81 4.21 0.00 2.41 1.43 -0.97 -5.05 118.68 115.90 3ihl s LEU 272 Ca 0.09 0.39 0.16 0.00 -1.03 0.00 0.00 54.13 53.74 3ihl s LEU 272 Cb -0.03 -2.04 0.93 0.00 0.03 0.00 0.00 46.19 45.08 3ihl s LEU 272 CO 0.82 0.40 1.35 -2.65 0.23 0.00 0.00 176.35 176.50