#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hi9 s LYS 2 N 0.00 4.38 -0.09 3.17 1.02 -1.26 -1.59 119.74 125.38 1hi9 s LYS 2 Ca 0.00 0.71 0.04 0.00 0.02 0.00 0.00 55.97 56.74 1hi9 s LYS 2 Cb 0.00 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1hi9 s LYS 2 CO 0.00 0.15 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.19 1hi9 s LEU 3 N 0.55 2.22 -0.15 3.17 1.98 -0.01 -0.41 118.68 126.04 1hi9 s LEU 3 Ca 0.32 -0.48 -0.08 0.00 -2.89 0.00 0.00 54.13 51.00 1hi9 s LEU 3 Cb -0.17 -1.44 -0.04 0.00 0.66 0.00 0.00 46.19 45.20 1hi9 s LEU 3 CO 0.15 0.20 0.12 -0.47 -1.89 0.00 0.00 176.35 174.47 1hi9 s TYR 4 N 0.12 3.50 -0.10 5.38 5.04 -0.41 -1.51 117.35 129.37 1hi9 s TYR 4 Ca -0.11 0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.96 1hi9 s TYR 4 Cb -0.16 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.16 1hi9 s TYR 4 CO 0.06 0.56 -0.14 -1.64 -1.34 0.00 0.00 175.55 173.05 1hi9 s MET 5 N -0.52 2.05 -0.25 4.97 -1.94 0.70 -0.03 119.30 124.28 1hi9 s MET 5 Ca 0.12 -0.51 -0.03 0.00 -1.71 0.00 0.00 55.69 53.57 1hi9 s MET 5 Cb -0.12 -1.74 0.02 0.00 2.01 0.00 0.00 34.83 35.00 1hi9 s MET 5 CO 0.02 -0.04 -0.04 0.45 -0.01 0.00 0.00 175.02 175.40 1hi9 s SER 6 N 0.92 4.44 -0.27 3.03 0.15 -0.62 -0.26 113.70 121.10 1hi9 s SER 6 Ca -0.09 -0.78 -0.03 0.00 0.70 0.00 0.00 55.95 55.75 1hi9 s SER 6 Cb -0.15 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 1hi9 s SER 6 CO -0.00 -0.12 -0.01 -0.69 1.20 0.00 0.00 173.24 173.62 1hi9 s VAL 7 N 1.37 3.26 0.54 4.45 1.01 -0.74 -0.49 120.40 129.81 1hi9 s VAL 7 Ca 0.01 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1hi9 s VAL 7 Cb -0.16 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.63 1hi9 s VAL 7 CO -0.03 0.13 0.75 -0.67 0.00 0.00 0.00 175.10 175.28 1hi9 n ASP 8 N 4.73 1.79 -0.04 3.32 -0.08 0.54 -0.77 116.55 126.04 1hi9 n ASP 8 Ca -0.16 -2.33 -0.06 0.00 -1.51 0.00 0.00 54.79 50.73 1hi9 n ASP 8 Cb 0.47 -0.41 -0.04 0.00 2.34 0.00 0.00 41.12 43.48 1hi9 n ASP 8 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1hi9 n MET 9 N -2.22 0.21 -0.11 -0.67 2.81 -1.23 -4.35 117.12 111.56 1hi9 n MET 9 Ca 0.15 0.05 0.24 0.00 -1.81 0.00 0.00 57.70 56.33 1hi9 n MET 9 Cb 0.54 -1.14 0.69 0.00 -0.71 0.00 0.00 33.22 32.59 1hi9 n MET 9 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1hi9 h GLU 10 N -0.03 0.04 -0.02 0.03 3.07 -1.92 0.11 114.58 115.86 1hi9 h GLU 10 Ca -0.20 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1hi9 h GLU 10 Cb 1.29 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1hi9 h GLU 10 CO -0.04 0.03 -0.02 0.41 -1.40 0.00 0.00 179.01 177.99 1hi9 n GLY 11 N -1.67 0.16 3.74 -3.84 0.00 -0.22 -4.91 105.19 98.45 1hi9 n GLY 11 Ca 0.15 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1hi9 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hi9 s ILE 12 N -2.03 2.18 0.45 -0.61 -1.09 0.36 -4.15 121.20 116.32 1hi9 s ILE 12 Ca 0.35 0.12 -0.24 0.00 -2.23 0.00 0.00 60.65 58.65 1hi9 s ILE 12 Cb 0.21 -3.05 -0.07 0.00 -1.58 0.00 0.00 42.46 37.96 1hi9 s ILE 12 CO 0.34 -0.02 1.21 -0.94 -1.23 0.00 0.00 174.94 174.30 1hi9 s SER 13 N -1.36 6.14 0.00 3.58 1.04 -1.26 -3.19 113.70 118.66 1hi9 s SER 13 Ca 0.79 2.43 0.00 0.00 0.48 0.00 0.00 55.95 59.65 1hi9 s SER 13 Cb -0.36 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.14 1hi9 s SER 13 CO 0.40 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1hi9 n GLY 14 N 0.56 3.03 3.59 7.32 0.00 -1.26 -4.97 105.19 113.46 1hi9 n GLY 14 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1hi9 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hi9 s LEU 15 N 0.00 3.98 -0.08 0.99 1.43 -1.19 -4.93 118.68 118.88 1hi9 s LEU 15 Ca 0.00 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1hi9 s LEU 15 Cb 0.00 -3.26 -0.24 0.00 0.03 0.00 0.00 46.19 42.71 1hi9 s LEU 15 CO 0.00 -0.92 0.53 -0.81 0.23 0.00 0.00 176.35 175.37 1hi9 n PRO 16 N 6.93 0.68 -3.71 1.29 -0.04 -1.26 -4.89 135.00 133.99 1hi9 n PRO 16 Ca 0.07 0.27 -0.15 0.00 -0.04 0.00 0.00 63.50 63.66 1hi9 n PRO 16 Cb 0.48 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 1hi9 n PRO 16 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1hi9 n ASP 17 N -3.19 -0.71 0.00 3.54 5.75 -1.26 -3.47 116.55 117.21 1hi9 n ASP 17 Ca -0.23 -2.69 0.09 0.00 -0.01 0.00 0.00 54.79 51.94 1hi9 n ASP 17 Cb 1.05 1.52 0.46 0.00 -1.03 0.00 0.00 41.12 43.13 1hi9 n ASP 17 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1hi9 n ASP 18 N -1.89 0.00 0.13 -1.12 5.75 -1.26 -2.47 116.55 115.69 1hi9 n ASP 18 Ca 0.05 -0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.94 1hi9 n ASP 18 Cb 0.48 -0.27 0.49 0.00 -1.03 0.00 0.00 41.12 40.79 1hi9 n ASP 18 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1hi9 n THR 19 N -1.27 0.83 0.55 2.12 -2.24 -1.26 -1.21 114.28 111.80 1hi9 n THR 19 Ca 0.09 0.23 0.11 0.00 -2.27 0.00 0.00 64.05 62.21 1hi9 n THR 19 Cb 0.14 -1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.11 1hi9 n THR 19 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1hi9 n PHE 20 N -2.23 0.07 0.12 4.78 3.01 -1.03 -1.03 117.46 121.15 1hi9 n PHE 20 Ca 0.02 0.02 0.02 0.00 1.01 0.00 0.00 57.45 58.52 1hi9 n PHE 20 Cb 0.23 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.40 1hi9 n PHE 20 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1hi9 n VAL 21 N -1.87 0.00 -3.10 -4.37 0.24 -0.88 -4.27 118.33 104.08 1hi9 n VAL 21 Ca 0.01 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.55 1hi9 n VAL 21 Cb 0.44 0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 33.59 1hi9 n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1hi9 s ASP 22 N -1.60 6.39 0.62 -1.34 -1.08 -0.35 -4.93 116.67 114.39 1hi9 s ASP 22 Ca 0.01 -0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.28 1hi9 s ASP 22 Cb 0.02 -2.33 1.35 0.00 -1.46 0.00 0.00 42.92 40.51 1hi9 s ASP 22 CO 0.14 -0.68 1.77 0.77 0.52 0.00 0.00 175.17 177.70 1hi9 h SER 23 N 8.63 0.00 -0.41 -0.34 4.64 -1.92 0.26 113.55 124.41 1hi9 h SER 23 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1hi9 h SER 23 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1hi9 h SER 23 CO 0.86 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 1hi9 n GLY 24 N -1.44 1.00 3.61 -0.77 0.00 -1.26 -4.92 105.19 101.41 1hi9 n GLY 24 Ca 0.06 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1hi9 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hi9 s LYS 25 N -1.45 2.18 0.37 1.61 1.02 0.92 -5.05 119.74 119.35 1hi9 s LYS 25 Ca 0.30 -1.39 0.19 0.00 0.02 0.00 0.00 55.97 55.08 1hi9 s LYS 25 Cb 0.16 -2.14 1.16 0.00 -0.52 0.00 0.00 37.83 36.49 1hi9 s LYS 25 CO 0.21 0.39 1.68 -0.09 -0.92 0.00 0.00 175.35 176.61 1hi9 h ARG 26 N 2.24 0.28 -0.63 1.68 2.43 -1.86 -2.33 114.38 116.19 1hi9 h ARG 26 Ca -0.45 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1hi9 h ARG 26 Cb 1.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1hi9 h ARG 26 CO 0.59 0.19 0.00 0.09 -1.51 0.00 0.00 179.97 179.32 1hi9 n ASN 27 N -4.88 3.98 -0.00 -3.80 3.02 -0.20 -4.60 115.26 108.78 1hi9 n ASN 27 Ca 0.32 -2.14 -0.10 0.00 -0.03 0.00 0.00 54.58 52.62 1hi9 n ASN 27 Cb 1.06 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 1hi9 n ASN 27 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1hi9 h TYR 28 N 3.75 0.02 -0.87 3.10 3.20 -0.68 -1.44 116.97 124.06 1hi9 h TYR 28 Ca 0.00 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1hi9 h TYR 28 Cb 1.07 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.29 1hi9 h TYR 28 CO 0.51 0.00 0.56 0.93 -1.64 0.00 0.00 178.16 178.53 1hi9 h GLU 29 N 0.05 0.86 -0.21 1.82 5.08 -1.81 0.10 114.58 120.47 1hi9 h GLU 29 Ca 0.05 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1hi9 h GLU 29 Cb 0.04 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1hi9 h GLU 29 CO -0.07 0.57 -0.55 0.00 -1.00 0.00 0.00 179.01 177.96 1hi9 h ARG 30 N 0.88 0.64 -0.10 2.33 3.08 -1.83 -2.97 114.38 116.41 1hi9 h ARG 30 Ca 0.39 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1hi9 h ARG 30 Cb 0.36 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1hi9 h ARG 30 CO -0.16 1.02 0.04 0.78 -1.07 0.00 0.00 179.97 180.58 1hi9 h GLY 31 N 0.97 0.12 2.00 0.04 0.00 0.24 -1.40 103.07 105.03 1hi9 h GLY 31 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1hi9 h GLY 31 CO 0.11 0.02 -0.13 0.07 0.00 0.00 0.00 176.54 176.60 1hi9 h ARG 32 N 0.09 0.00 -0.01 4.80 0.11 -1.13 0.88 114.38 119.11 1hi9 h ARG 32 Ca 0.04 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 1hi9 h ARG 32 Cb 0.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 1hi9 h ARG 32 CO -0.04 0.13 -0.02 1.25 0.10 0.00 0.00 179.97 181.39 1hi9 h LEU 33 N 0.00 0.05 -0.97 0.08 6.46 -1.27 -1.19 115.31 118.46 1hi9 h LEU 33 Ca -0.00 -0.55 -0.04 0.00 -0.12 0.00 0.00 57.88 57.17 1hi9 h LEU 33 Cb 0.52 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1hi9 h LEU 33 CO 0.02 0.59 0.28 0.40 -0.62 0.00 0.00 178.44 179.11 1hi9 h ILE 34 N -0.50 1.24 -0.32 4.05 2.04 -0.89 -1.64 117.51 121.49 1hi9 h ILE 34 Ca 0.00 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1hi9 h ILE 34 Cb 0.58 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1hi9 h ILE 34 CO 0.01 0.30 0.17 -0.03 0.00 0.00 0.00 178.15 178.59 1hi9 h MET 35 N 1.01 0.45 -0.38 2.37 4.05 -0.78 0.62 114.93 122.27 1hi9 h MET 35 Ca 0.24 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1hi9 h MET 35 Cb 0.19 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1hi9 h MET 35 CO -0.02 0.39 0.17 1.15 0.23 0.00 0.00 176.91 178.83 1hi9 h THR 36 N 0.39 1.18 -0.47 -0.77 2.02 -0.96 -1.93 112.91 112.37 1hi9 h THR 36 Ca 0.11 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1hi9 h THR 36 Cb 0.08 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1hi9 h THR 36 CO -0.02 0.19 -0.01 -0.33 0.37 0.00 0.00 175.52 175.73 1hi9 h GLU 37 N 0.47 0.79 -0.74 6.66 5.08 -1.10 -1.52 114.58 124.22 1hi9 h GLU 37 Ca 0.13 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1hi9 h GLU 37 Cb 0.15 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1hi9 h GLU 37 CO -0.01 0.80 0.43 1.49 -1.00 0.00 0.00 179.01 180.72 1hi9 h GLU 38 N 0.73 1.01 -0.46 2.33 4.81 -0.61 -2.11 114.58 120.29 1hi9 h GLU 38 Ca 0.14 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1hi9 h GLU 38 Cb 0.46 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1hi9 h GLU 38 CO 0.02 0.73 -0.05 0.00 -0.73 0.00 0.00 179.01 178.98 1hi9 h ALA 39 N 1.23 1.06 -0.66 2.92 0.00 -0.93 -2.77 119.26 120.10 1hi9 h ALA 39 Ca 0.26 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1hi9 h ALA 39 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1hi9 h ALA 39 CO -0.05 0.58 0.44 -0.91 0.00 0.00 0.00 179.25 179.31 1hi9 h ASN 40 N 0.72 0.75 -0.39 0.00 2.35 -0.63 -0.60 115.58 117.78 1hi9 h ASN 40 Ca 0.13 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1hi9 h ASN 40 Cb 0.51 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1hi9 h ASN 40 CO 0.03 0.54 0.23 1.88 -1.65 0.00 0.00 177.43 178.46 1hi9 h TYR 41 N 0.88 0.44 -0.37 1.19 -1.99 -1.16 0.11 116.97 116.07 1hi9 h TYR 41 Ca 0.24 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.89 1hi9 h TYR 41 Cb -0.08 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.49 1hi9 h TYR 41 CO -0.00 0.26 -0.14 0.00 -0.00 0.00 0.00 178.16 178.28 1hi9 h ILE 43 N 0.55 1.01 -0.61 0.00 2.04 -0.87 0.18 117.51 119.81 1hi9 h ILE 43 Ca 0.09 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1hi9 h ILE 43 Cb 0.67 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1hi9 h ILE 43 CO 0.05 0.01 0.29 0.00 0.00 0.00 0.00 178.15 178.50 1hi9 h ALA 44 N 0.99 0.81 0.00 1.87 0.00 -0.77 -0.78 119.26 121.38 1hi9 h ALA 44 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1hi9 h ALA 44 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hi9 h ALA 44 CO -0.00 -0.08 -0.42 1.49 0.00 0.00 0.00 179.25 180.24 1hi9 h GLU 45 N 0.54 0.00 0.15 0.00 4.57 -1.15 -1.57 114.58 117.12 1hi9 h GLU 45 Ca 0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1hi9 h GLU 45 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1hi9 h GLU 45 CO -0.23 0.42 -0.07 0.00 -1.18 0.00 0.00 179.01 177.95 1hi9 h ALA 46 N 1.58 -0.20 -0.51 2.92 0.00 0.77 -0.79 119.26 123.02 1hi9 h ALA 46 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1hi9 h ALA 46 Cb 0.97 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1hi9 h ALA 46 CO 0.05 -0.51 0.26 0.74 0.00 0.00 0.00 179.25 179.79 1hi9 h PHE 47 N -0.41 0.73 0.00 0.00 0.05 -1.28 -1.73 116.94 114.30 1hi9 h PHE 47 Ca -0.02 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.74 1hi9 h PHE 47 Cb 0.33 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 38.05 1hi9 h PHE 47 CO -0.00 0.56 -0.00 -0.97 -0.18 0.00 0.00 178.31 177.72 1hi9 h ASN 48 N 0.68 0.00 -0.64 2.17 -1.24 -1.12 -1.12 115.58 114.31 1hi9 h ASN 48 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1hi9 h ASN 48 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1hi9 h ASN 48 CO -0.02 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.92 1hi9 n SER 49 N -3.23 4.42 0.00 1.15 7.64 -0.32 -4.94 113.62 118.34 1hi9 n SER 49 Ca -0.03 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1hi9 n SER 49 Cb 0.09 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1hi9 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hi9 n GLY 50 N 1.20 2.19 3.62 0.23 0.00 -0.42 -5.00 105.19 107.01 1hi9 n GLY 50 Ca 0.24 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.80 1hi9 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hi9 n THR 52 N 1.50 0.06 -3.83 0.00 -2.24 -0.62 -4.39 114.28 104.77 1hi9 n THR 52 Ca 0.13 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1hi9 n THR 52 Cb 0.29 0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 1hi9 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hi9 s GLU 53 N -3.48 0.12 -0.21 -0.78 2.02 -1.18 -4.96 118.70 110.24 1hi9 s GLU 53 Ca -0.06 0.16 -0.03 0.00 0.02 0.00 0.00 54.97 55.05 1hi9 s GLU 53 Cb 0.14 0.04 0.07 0.00 0.10 0.00 0.00 34.13 34.48 1hi9 s GLU 53 CO 0.90 -0.03 0.07 0.08 0.02 0.00 0.00 175.26 176.30 1hi9 s VAL 54 N 0.13 0.30 -0.25 2.63 1.01 -1.26 -0.83 120.40 122.13 1hi9 s VAL 54 Ca -0.01 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1hi9 s VAL 54 Cb -0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1hi9 s VAL 54 CO -0.00 -0.32 0.48 -0.22 0.00 0.00 0.00 175.10 175.03 1hi9 s LEU 55 N 1.95 4.07 -0.28 3.92 0.20 -0.57 -2.00 118.68 125.98 1hi9 s LEU 55 Ca 0.02 0.51 -0.06 0.00 0.69 0.00 0.00 54.13 55.29 1hi9 s LEU 55 Cb -0.17 -2.62 0.01 0.00 -0.43 0.00 0.00 46.19 42.99 1hi9 s LEU 55 CO -0.13 -0.23 0.05 -0.69 -0.29 0.00 0.00 176.35 175.06 1hi9 s VAL 56 N 2.07 3.79 -0.32 1.68 1.01 0.77 -0.21 120.40 129.19 1hi9 s VAL 56 Ca 0.20 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1hi9 s VAL 56 Cb -0.16 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1hi9 s VAL 56 CO 0.09 0.13 0.14 0.21 0.00 0.00 0.00 175.10 175.67 1hi9 s ASN 57 N 1.48 5.43 -0.05 3.32 3.04 0.64 -0.45 114.94 128.36 1hi9 s ASN 57 Ca 0.03 -0.70 -0.30 0.00 0.04 0.00 0.00 52.86 51.93 1hi9 s ASN 57 Cb -0.17 -1.96 -0.06 0.00 -1.54 0.00 0.00 41.25 37.52 1hi9 s ASN 57 CO 0.01 -0.23 1.71 -0.62 -3.04 0.00 0.00 177.10 174.93 1hi9 s ASP 58 N 1.55 6.61 -0.19 -4.21 -1.08 -0.96 -1.79 116.67 116.60 1hi9 s ASP 58 Ca 0.03 2.29 0.15 0.00 -0.52 0.00 0.00 52.55 54.49 1hi9 s ASP 58 Cb -0.18 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.17 1hi9 s ASP 58 CO 0.05 -0.97 1.30 -1.20 0.52 0.00 0.00 175.17 174.87 1hi9 n SER 59 N 7.28 2.59 -4.26 -0.34 7.64 0.05 -4.73 113.62 121.85 1hi9 n SER 59 Ca 0.18 -3.40 -0.33 0.00 1.01 0.00 0.00 58.87 56.33 1hi9 n SER 59 Cb 0.43 -0.52 -0.16 0.00 -1.01 0.00 0.00 64.21 62.95 1hi9 n SER 59 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1hi9 s HIS 60 N -3.03 2.74 0.00 1.43 5.65 -1.25 -4.73 115.29 116.10 1hi9 s HIS 60 Ca 0.38 -1.03 0.00 0.00 0.25 0.00 0.00 55.06 54.66 1hi9 s HIS 60 Cb 0.34 -1.85 0.00 0.00 -1.18 0.00 0.00 32.58 29.89 1hi9 s HIS 60 CO 0.01 -0.45 0.00 0.45 -0.65 0.00 0.00 174.74 174.10 1hi9 n SER 61 N 3.91 0.00 0.00 9.88 2.88 -1.26 0.12 113.62 129.16 1hi9 n SER 61 Ca -0.19 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.48 1hi9 n SER 61 Cb 0.52 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.73 1hi9 n SER 61 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1hi9 n LYS 62 N 7.92 0.68 -3.40 -1.46 4.76 -1.26 -4.89 118.16 120.51 1hi9 n LYS 62 Ca 0.00 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.21 1hi9 n LYS 62 Cb 0.00 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.70 1hi9 n LYS 62 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1hi9 n MET 63 N -1.10 -3.98 -1.67 1.97 2.81 0.33 -3.47 117.12 112.02 1hi9 n MET 63 Ca 0.18 0.57 -0.05 0.00 -1.81 0.00 0.00 57.70 56.58 1hi9 n MET 63 Cb 0.13 -5.34 0.08 0.00 -0.71 0.00 0.00 33.22 27.39 1hi9 n MET 63 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1hi9 n ASN 64 N -2.42 2.62 -0.09 7.83 0.23 -1.26 -0.85 115.26 121.31 1hi9 n ASN 64 Ca -0.02 -3.15 -0.17 0.00 -0.53 0.00 0.00 54.58 50.71 1hi9 n ASN 64 Cb 0.55 -0.42 -0.09 0.00 -2.08 0.00 0.00 39.78 37.74 1hi9 n ASN 64 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1hi9 h ASN 65 N 1.70 0.00 -2.79 0.53 2.35 -1.88 -3.47 115.58 112.02 1hi9 h ASN 65 Ca 0.05 -0.41 -0.57 0.00 -0.55 0.00 0.00 56.30 54.82 1hi9 h ASN 65 Cb 1.39 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.84 1hi9 h ASN 65 CO 0.30 1.27 0.66 0.18 -1.65 0.00 0.00 177.43 178.19 1hi9 n LEU 66 N -4.50 3.33 -4.53 1.61 4.77 -1.26 -4.83 117.00 111.59 1hi9 n LEU 66 Ca -0.24 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.45 1hi9 n LEU 66 Cb 0.56 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 1hi9 n LEU 66 CO 0.17 -0.38 0.54 -0.04 -1.33 0.00 0.00 177.39 176.35 1hi9 s MET 67 N -0.46 3.36 0.53 3.23 -1.94 -1.26 -4.93 119.30 117.83 1hi9 s MET 67 Ca 0.67 -0.20 0.22 0.00 -1.71 0.00 0.00 55.69 54.67 1hi9 s MET 67 Cb -0.62 -3.96 1.35 0.00 2.01 0.00 0.00 34.83 33.61 1hi9 s MET 67 CO 0.50 -1.14 2.05 -0.24 -0.01 0.00 0.00 175.02 176.18 1hi9 h VAL 68 N 5.96 0.83 -0.00 -6.03 3.04 -1.96 -0.44 116.25 117.65 1hi9 h VAL 68 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1hi9 h VAL 68 Cb 1.09 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1hi9 h VAL 68 CO 0.96 0.00 -0.02 -1.84 -1.01 0.00 0.00 177.57 175.66 1hi9 n GLU 69 N -4.43 0.48 0.00 4.17 0.00 -1.26 -3.74 120.64 115.86 1hi9 n GLU 69 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1hi9 n GLU 69 Cb 0.43 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.37 1hi9 n GLU 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1hi9 n LYS 70 N -1.23 2.61 -1.67 3.44 5.02 -0.30 -5.06 118.16 120.97 1hi9 n LYS 70 Ca 0.14 -0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 1hi9 n LYS 70 Cb 0.25 -0.57 0.05 0.00 -0.02 0.00 0.00 35.03 34.73 1hi9 n LYS 70 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1hi9 s LEU 71 N -0.83 3.26 -0.08 -0.35 2.96 -0.47 -4.89 118.68 118.28 1hi9 s LEU 71 Ca 0.00 1.80 -0.36 0.00 -0.22 0.00 0.00 54.13 55.35 1hi9 s LEU 71 Cb 0.00 -4.52 -0.14 0.00 0.50 0.00 0.00 46.19 42.03 1hi9 s LEU 71 CO 0.00 -1.54 1.73 1.57 -1.32 0.00 0.00 176.35 176.79 1hi9 n HIS 72 N -2.77 2.16 0.00 5.38 -0.00 -1.26 -4.83 115.22 113.90 1hi9 n HIS 72 Ca 0.09 0.26 0.16 0.00 -0.00 0.00 0.00 57.72 58.23 1hi9 n HIS 72 Cb 0.53 -2.55 0.62 0.00 -0.00 0.00 0.00 29.99 28.59 1hi9 n HIS 72 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1hi9 h PRO 73 N 7.61 0.12 -0.14 1.57 0.13 -1.94 -1.80 132.00 137.56 1hi9 h PRO 73 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1hi9 h PRO 73 Cb 1.29 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hi9 h PRO 73 CO 0.92 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 179.17 1hi9 n GLU 74 N -4.43 1.42 -4.06 0.86 -0.58 -1.26 -4.85 120.64 107.74 1hi9 n GLU 74 Ca 0.08 -0.65 -0.26 0.00 -0.42 0.00 0.00 57.16 55.91 1hi9 n GLU 74 Cb 0.47 -1.26 -0.05 0.00 -0.57 0.00 0.00 31.44 30.03 1hi9 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hi9 s ALA 75 N -1.82 3.62 -0.25 0.62 0.00 -0.68 -4.69 121.76 118.56 1hi9 s ALA 75 Ca 0.23 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 1hi9 s ALA 75 Cb 0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1hi9 s ALA 75 CO 0.17 0.52 0.09 -0.51 0.00 0.00 0.00 175.76 176.04 1hi9 s ASP 76 N -3.08 5.35 -0.15 0.00 1.01 -0.84 -4.95 116.67 113.99 1hi9 s ASP 76 Ca 0.31 -0.14 -0.08 0.00 0.71 0.00 0.00 52.55 53.36 1hi9 s ASP 76 Cb -0.10 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 1hi9 s ASP 76 CO 0.24 -0.02 0.11 -0.22 0.21 0.00 0.00 175.17 175.49 1hi9 s LEU 77 N 1.51 4.16 -0.36 1.23 2.96 -1.26 -0.16 118.68 126.76 1hi9 s LEU 77 Ca 0.06 0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1hi9 s LEU 77 Cb -0.15 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.54 1hi9 s LEU 77 CO 0.05 0.29 0.16 -0.63 -1.32 0.00 0.00 176.35 174.90 1hi9 s ILE 78 N -0.32 4.24 -0.00 6.68 1.01 0.41 -4.97 121.20 128.24 1hi9 s ILE 78 Ca 0.10 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1hi9 s ILE 78 Cb -0.12 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1hi9 s ILE 78 CO 0.01 -0.19 -0.26 -0.55 0.00 0.00 0.00 174.94 173.95 1hi9 s SER 79 N 1.49 3.10 0.00 3.58 0.15 -1.26 -2.28 113.70 118.48 1hi9 s SER 79 Ca 0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1hi9 s SER 79 Cb -0.19 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1hi9 s SER 79 CO 0.05 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.40 1hi9 n GLY 80 N 2.24 2.90 0.00 9.45 0.00 -0.03 -5.01 105.19 114.75 1hi9 n GLY 80 Ca -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1hi9 n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hi9 n ASP 81 N 0.00 1.31 -3.29 1.61 5.75 -1.23 -4.69 116.55 116.02 1hi9 n ASP 81 Ca 0.00 -0.77 -0.23 0.00 -0.01 0.00 0.00 54.79 53.78 1hi9 n ASP 81 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1hi9 n ASP 81 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1hi9 n VAL 82 N -0.27 -2.44 -3.27 2.12 0.31 -1.26 -4.97 118.33 108.55 1hi9 n VAL 82 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1hi9 n VAL 82 Cb 0.00 -3.70 -0.06 0.00 -0.91 0.00 0.00 33.84 29.17 1hi9 n VAL 82 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1hi9 s LYS 83 N -5.99 4.25 0.35 5.55 1.02 -1.26 -4.97 119.74 118.69 1hi9 s LYS 83 Ca 0.43 0.66 0.14 0.00 0.02 0.00 0.00 55.97 57.23 1hi9 s LYS 83 Cb -0.19 -3.32 1.14 0.00 -0.52 0.00 0.00 37.83 34.94 1hi9 s LYS 83 CO 0.54 0.44 1.59 -1.35 -0.92 0.00 0.00 175.35 175.65 1hi9 h PRO 84 N 5.40 0.03 -0.08 -1.68 0.11 -2.01 -1.15 132.00 132.63 1hi9 h PRO 84 Ca -0.46 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1hi9 h PRO 84 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1hi9 h PRO 84 CO 0.68 0.02 -0.44 1.19 -0.21 0.00 0.00 178.00 179.24 1hi9 n PHE 85 N -5.31 0.25 0.00 0.65 3.01 -1.26 -4.82 117.46 109.97 1hi9 n PHE 85 Ca 0.33 -1.54 0.00 0.00 1.01 0.00 0.00 57.45 57.25 1hi9 n PHE 85 Cb 1.09 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 1hi9 n PHE 85 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1hi9 n SER 86 N -1.11 0.00 0.32 4.37 2.88 -0.44 -0.30 113.62 119.34 1hi9 n SER 86 Ca 0.22 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.94 1hi9 n SER 86 Cb 0.75 0.00 1.05 0.00 -0.75 0.00 0.00 64.21 65.26 1hi9 n SER 86 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1hi9 h MET 87 N 0.00 0.00 -0.20 -1.46 2.86 -1.90 -2.66 114.93 111.57 1hi9 h MET 87 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1hi9 h MET 87 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1hi9 h MET 87 CO 0.00 0.00 -0.05 1.33 1.06 0.00 0.00 176.91 179.26 1hi9 n VAL 88 N -3.52 2.25 -1.76 -2.22 0.24 0.59 -4.80 118.33 109.10 1hi9 n VAL 88 Ca -0.03 -2.26 -0.42 0.00 -2.04 0.00 0.00 64.34 59.60 1hi9 n VAL 88 Cb 0.08 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 1hi9 n VAL 88 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1hi9 s GLU 89 N -2.96 4.12 0.00 7.34 2.56 -1.00 -2.19 118.70 126.56 1hi9 s GLU 89 Ca 0.40 2.59 0.00 0.00 0.00 0.00 0.00 54.97 57.96 1hi9 s GLU 89 Cb 0.34 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 33.44 1hi9 s GLU 89 CO 0.04 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 1hi9 n GLY 90 N 2.62 0.98 3.62 -1.50 0.00 -1.26 -4.89 105.19 104.77 1hi9 n GLY 90 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1hi9 n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hi9 s LEU 91 N 0.00 4.08 0.00 0.99 0.20 -0.93 -5.04 118.68 117.98 1hi9 s LEU 91 Ca 0.00 0.65 0.02 0.00 0.69 0.00 0.00 54.13 55.49 1hi9 s LEU 91 Cb 0.00 -2.85 -0.01 0.00 -0.43 0.00 0.00 46.19 42.90 1hi9 s LEU 91 CO 0.00 -0.40 0.08 -0.90 -0.29 0.00 0.00 176.35 174.84 1hi9 n ASP 92 N 5.76 0.80 0.00 3.68 5.68 -1.26 -5.02 116.55 126.18 1hi9 n ASP 92 Ca -0.01 -1.96 0.06 0.00 -0.50 0.00 0.00 54.79 52.38 1hi9 n ASP 92 Cb 0.49 0.51 0.36 0.00 -1.14 0.00 0.00 41.12 41.34 1hi9 n ASP 92 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1hi9 n ASP 93 N -1.94 0.00 -0.80 -1.12 3.85 -1.26 -3.10 116.55 112.17 1hi9 n ASP 93 Ca -0.01 -1.16 0.11 0.00 -0.71 0.00 0.00 54.79 53.01 1hi9 n ASP 93 Cb 0.27 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.34 1hi9 n ASP 93 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1hi9 n THR 94 N -0.75 0.31 -3.83 2.12 -2.24 -1.26 -4.90 114.28 103.74 1hi9 n THR 94 Ca 0.09 -0.51 -0.37 0.00 -2.27 0.00 0.00 64.05 60.99 1hi9 n THR 94 Cb 0.04 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 1hi9 n THR 94 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1hi9 s PHE 95 N -1.69 3.62 0.26 4.78 0.40 -1.18 -4.60 117.98 119.57 1hi9 s PHE 95 Ca 0.34 0.60 0.07 0.00 -0.60 0.00 0.00 56.93 57.34 1hi9 s PHE 95 Cb 0.19 -1.99 0.31 0.00 0.51 0.00 0.00 43.02 42.05 1hi9 s PHE 95 CO 0.28 0.73 1.59 -0.09 0.70 0.00 0.00 175.22 178.43 1hi9 h ARG 96 N 4.94 0.13 -1.57 0.44 9.65 -1.08 -3.45 114.38 123.43 1hi9 h ARG 96 Ca -0.55 -0.09 0.31 0.00 -1.10 0.00 0.00 59.98 58.56 1hi9 h ARG 96 Cb 1.23 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.71 1hi9 h ARG 96 CO 0.58 0.69 0.79 0.20 2.80 0.00 0.00 179.97 185.03 1hi9 s GLY 97 N -4.39 -0.38 0.14 2.80 0.00 -1.24 -4.49 107.32 99.77 1hi9 s GLY 97 Ca -0.03 0.60 0.11 0.00 0.00 0.00 0.00 44.72 45.40 1hi9 s GLY 97 CO 0.78 0.26 -0.26 0.00 0.00 0.00 0.00 173.10 173.89 1hi9 s ALA 98 N -2.51 2.36 -0.14 3.20 0.00 0.04 -1.28 121.76 123.41 1hi9 s ALA 98 Ca 0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 1hi9 s ALA 98 Cb 0.04 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.85 1hi9 s ALA 98 CO -0.03 0.50 -0.01 -1.17 0.00 0.00 0.00 175.76 175.05 1hi9 s LEU 99 N -2.18 1.12 -0.27 0.00 0.20 0.96 -1.13 118.68 117.37 1hi9 s LEU 99 Ca 0.15 -0.52 -0.16 0.00 0.69 0.00 0.00 54.13 54.29 1hi9 s LEU 99 Cb -0.09 -0.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.98 1hi9 s LEU 99 CO 0.07 -0.23 0.42 -0.36 -0.29 0.00 0.00 176.35 175.96 1hi9 s PHE 100 N 1.82 3.26 0.04 5.38 2.99 -0.42 -1.58 117.98 129.47 1hi9 s PHE 100 Ca 0.02 0.49 0.07 0.00 0.00 0.00 0.00 56.93 57.50 1hi9 s PHE 100 Cb -0.15 -2.62 -0.03 0.00 0.00 0.00 0.00 43.02 40.22 1hi9 s PHE 100 CO -0.07 -0.24 -0.16 -1.17 -0.00 0.00 0.00 175.22 173.58 1hi9 s LEU 101 N 2.13 2.70 -1.50 -0.37 0.20 0.35 -0.18 118.68 122.02 1hi9 s LEU 101 Ca 0.17 -0.39 -0.01 0.00 0.69 0.00 0.00 54.13 54.60 1hi9 s LEU 101 Cb -0.16 -1.57 0.00 0.00 -0.43 0.00 0.00 46.19 44.03 1hi9 s LEU 101 CO 0.10 0.26 0.12 0.61 -0.29 0.00 0.00 176.35 177.15 1hi9 n GLY 102 N 1.53 -0.37 3.88 7.98 0.00 -0.88 -0.34 105.19 116.98 1hi9 n GLY 102 Ca -0.16 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1hi9 n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hi9 s TYR 103 N -2.95 3.41 0.25 1.61 1.51 0.06 -1.06 117.35 120.19 1hi9 s TYR 103 Ca 0.06 1.09 0.01 0.00 -1.01 0.00 0.00 57.07 57.22 1hi9 s TYR 103 Cb -0.03 -2.95 -0.05 0.00 -0.11 0.00 0.00 41.96 38.83 1hi9 s TYR 103 CO 0.08 -1.02 0.11 -3.38 -1.11 0.00 0.00 175.55 170.23 1hi9 s HIS 104 N -3.28 1.49 0.68 2.71 -3.43 -1.26 -3.65 115.29 108.55 1hi9 s HIS 104 Ca 0.57 -1.22 -0.14 0.00 -0.80 0.00 0.00 55.06 53.47 1hi9 s HIS 104 Cb -0.11 -0.85 0.01 0.00 -1.43 0.00 0.00 32.58 30.20 1hi9 s HIS 104 CO 0.52 -0.39 1.10 0.00 -2.00 0.00 0.00 174.74 173.97 1hi9 s ALA 105 N -3.80 2.44 0.76 -1.38 0.00 -1.26 -4.76 121.76 113.77 1hi9 s ALA 105 Ca 0.38 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1hi9 s ALA 105 Cb 0.08 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.95 1hi9 s ALA 105 CO 0.14 -1.37 1.08 -0.98 0.00 0.00 0.00 175.76 174.63 1hi9 s ARG 106 N -4.31 2.36 0.64 0.00 1.70 -1.26 -2.63 118.95 115.45 1hi9 s ARG 106 Ca 0.65 0.85 -0.18 0.00 -0.47 0.00 0.00 55.73 56.59 1hi9 s ARG 106 Cb -0.19 -1.93 -0.03 0.00 -0.57 0.00 0.00 34.95 32.23 1hi9 s ARG 106 CO 0.45 -1.48 1.01 0.00 -1.08 0.00 0.00 175.30 174.20 1hi9 n ALA 107 N -3.37 0.23 -1.05 7.88 0.00 -1.21 -3.11 120.51 119.88 1hi9 n ALA 107 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1hi9 n ALA 107 Cb 0.55 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 1hi9 n ALA 107 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1hi9 n SER 108 N -1.18 -4.30 -4.33 0.00 7.64 -1.26 -4.79 113.62 105.40 1hi9 n SER 108 Ca 0.14 0.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.89 1hi9 n SER 108 Cb 0.48 -1.95 -0.10 0.00 -1.01 0.00 0.00 64.21 61.63 1hi9 n SER 108 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hi9 s THR 109 N -1.69 1.26 0.65 0.44 -4.23 -1.18 -5.13 115.64 105.77 1hi9 s THR 109 Ca 0.00 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 1hi9 s THR 109 Cb 0.00 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 1hi9 s THR 109 CO 0.00 -0.45 1.22 -2.65 -0.54 0.00 0.00 174.62 172.20 1hi9 n PRO 110 N -0.39 1.01 0.00 3.99 -0.02 -1.26 -4.81 135.00 133.51 1hi9 n PRO 110 Ca -0.07 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1hi9 n PRO 110 Cb 0.63 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1hi9 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hi9 n GLY 111 N 0.98 4.72 3.74 -1.23 0.00 -1.26 -4.80 105.19 107.33 1hi9 n GLY 111 Ca 0.15 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1hi9 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hi9 s VAL 112 N -0.86 2.02 -1.47 1.61 0.11 -1.25 -2.52 120.40 118.04 1hi9 s VAL 112 Ca 0.00 0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 1hi9 s VAL 112 Cb 0.00 -3.01 0.10 0.00 -1.53 0.00 0.00 36.38 31.93 1hi9 s VAL 112 CO 0.00 0.00 0.71 0.23 -3.33 0.00 0.00 175.10 172.72 1hi9 n MET 113 N 2.91 -4.02 -1.85 1.54 2.81 0.17 -4.57 117.12 114.12 1hi9 n MET 113 Ca 0.11 0.50 -0.41 0.00 -1.81 0.00 0.00 57.70 56.09 1hi9 n MET 113 Cb 0.36 -5.28 -0.02 0.00 -0.71 0.00 0.00 33.22 27.58 1hi9 n MET 113 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1hi9 s SER 114 N -3.02 6.45 -0.10 7.83 1.04 -1.05 -4.84 113.70 120.01 1hi9 s SER 114 Ca 0.56 2.89 -0.32 0.00 0.48 0.00 0.00 55.95 59.56 1hi9 s SER 114 Cb -0.29 -2.64 0.13 0.00 0.10 0.00 0.00 66.02 63.32 1hi9 s SER 114 CO 0.69 -0.85 1.42 -1.38 0.98 0.00 0.00 173.24 174.10 1hi9 s HIS 115 N -0.19 -0.00 -0.29 5.02 -3.43 -1.08 -4.72 115.29 110.60 1hi9 s HIS 115 Ca 0.60 -0.00 -0.03 0.00 -0.80 0.00 0.00 55.06 54.83 1hi9 s HIS 115 Cb -0.46 0.50 0.10 0.00 -1.43 0.00 0.00 32.58 31.29 1hi9 s HIS 115 CO 0.49 -0.01 0.12 -1.12 -2.00 0.00 0.00 174.74 172.22 1hi9 s SER 116 N -3.38 3.64 0.00 7.38 0.01 -1.26 -3.28 113.70 116.80 1hi9 s SER 116 Ca 0.22 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1hi9 s SER 116 Cb 0.05 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1hi9 s SER 116 CO -0.05 -0.43 0.00 0.23 0.41 0.00 0.00 173.24 173.40 1hi9 n MET 117 N 5.14 0.00 -4.27 12.44 2.81 -1.26 -4.57 117.12 127.41 1hi9 n MET 117 Ca -0.05 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.68 1hi9 n MET 117 Cb 0.42 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.83 1hi9 n MET 117 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1hi9 s ILE 118 N 0.00 1.34 0.52 2.02 -4.36 -1.26 -5.03 121.20 114.43 1hi9 s ILE 118 Ca 0.00 -2.04 0.23 0.00 -0.26 0.00 0.00 60.65 58.57 1hi9 s ILE 118 Cb 0.00 -1.84 0.29 0.00 1.25 0.00 0.00 42.46 42.16 1hi9 s ILE 118 CO 0.00 -0.65 2.15 -0.26 0.24 0.00 0.00 174.94 176.42 1hi9 h PHE 119 N 2.85 0.00 0.00 1.37 0.05 -1.99 -2.92 116.94 116.30 1hi9 h PHE 119 Ca -0.37 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.42 1hi9 h PHE 119 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.15 1hi9 h PHE 119 CO 0.67 0.05 0.00 0.41 -0.18 0.00 0.00 178.31 179.25 1hi9 n GLY 120 N -1.25 -1.33 3.84 -1.45 0.00 -1.26 -4.79 105.19 98.95 1hi9 n GLY 120 Ca -0.03 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1hi9 n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hi9 s VAL 121 N -3.30 5.04 -0.24 1.61 -7.23 -1.10 -0.28 120.40 114.90 1hi9 s VAL 121 Ca 0.05 0.75 0.02 0.00 -1.81 0.00 0.00 61.98 60.98 1hi9 s VAL 121 Cb 0.10 -3.69 -0.16 0.00 0.56 0.00 0.00 36.38 33.18 1hi9 s VAL 121 CO 0.42 0.51 -0.22 0.54 -0.31 0.00 0.00 175.10 176.04 1hi9 n ARG 122 N 1.59 0.61 -3.73 4.82 1.74 0.12 -4.59 116.66 117.22 1hi9 n ARG 122 Ca -0.13 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 1hi9 n ARG 122 Cb 0.52 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 1hi9 n ARG 122 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1hi9 s HIS 123 N -2.49 -0.32 -0.02 -1.55 3.76 -1.08 -4.17 115.29 109.42 1hi9 s HIS 123 Ca -0.33 0.65 0.03 0.00 -0.15 0.00 0.00 55.06 55.26 1hi9 s HIS 123 Cb 0.08 0.15 -0.03 0.00 1.11 0.00 0.00 32.58 33.89 1hi9 s HIS 123 CO 0.56 -0.35 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.96 1hi9 s PHE 124 N -0.74 2.87 -0.03 1.40 2.99 -1.16 -1.02 117.98 122.28 1hi9 s PHE 124 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 56.93 56.81 1hi9 s PHE 124 Cb -0.04 -1.64 0.02 0.00 0.00 0.00 0.00 43.02 41.37 1hi9 s PHE 124 CO 0.03 0.33 -0.02 0.71 -0.00 0.00 0.00 175.22 176.28 1hi9 s TYR 125 N -0.90 0.48 -0.41 0.36 1.51 0.12 -1.54 117.35 116.97 1hi9 s TYR 125 Ca 0.15 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 1hi9 s TYR 125 Cb -0.11 -0.49 0.11 0.00 -0.11 0.00 0.00 41.96 41.36 1hi9 s TYR 125 CO 0.05 -0.14 0.15 0.42 -1.11 0.00 0.00 175.55 174.91 1hi9 s ILE 126 N 0.89 2.60 -1.10 2.71 -1.09 -1.03 -0.87 121.20 123.32 1hi9 s ILE 126 Ca -0.10 -2.55 -0.02 0.00 -2.23 0.00 0.00 60.65 55.74 1hi9 s ILE 126 Cb -0.13 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1hi9 s ILE 126 CO -0.01 -0.68 0.93 0.59 -1.23 0.00 0.00 174.94 174.55 1hi9 n ASN 127 N 4.01 -3.84 0.00 3.58 4.13 -0.66 -2.64 115.26 119.83 1hi9 n ASN 127 Ca 0.03 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1hi9 n ASN 127 Cb 0.39 -5.00 0.00 0.00 -1.54 0.00 0.00 39.78 33.64 1hi9 n ASN 127 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1hi9 n ASP 128 N -3.10 0.00 -4.64 6.41 8.00 -1.26 -4.98 116.55 116.98 1hi9 n ASP 128 Ca -0.19 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.92 1hi9 n ASP 128 Cb 0.64 -1.33 -0.08 0.00 -0.02 0.00 0.00 41.12 40.34 1hi9 n ASP 128 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1hi9 s ARG 129 N -0.48 4.09 0.12 -1.24 3.52 -1.08 -5.03 118.95 118.85 1hi9 s ARG 129 Ca 0.00 0.15 -0.31 0.00 -0.13 0.00 0.00 55.73 55.44 1hi9 s ARG 129 Cb 0.00 -3.60 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1hi9 s ARG 129 CO 0.00 -0.18 1.84 -2.14 -0.81 0.00 0.00 175.30 174.01 1hi9 s PRO 130 N 1.77 4.14 0.10 5.12 0.02 -1.26 -2.47 135.00 142.42 1hi9 s PRO 130 Ca 0.18 2.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.67 1hi9 s PRO 130 Cb -0.15 -3.64 0.02 0.00 0.02 0.00 0.00 34.50 30.74 1hi9 s PRO 130 CO 0.09 -0.85 0.29 0.14 -0.33 0.00 0.00 177.00 176.34 1hi9 s VAL 131 N 2.88 0.11 0.00 3.83 -7.23 -0.59 -4.99 120.40 114.40 1hi9 s VAL 131 Ca 0.81 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1hi9 s VAL 131 Cb -0.46 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.26 1hi9 s VAL 131 CO 0.37 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1hi9 n GLY 132 N -0.07 6.09 0.25 2.32 0.00 -1.26 -2.96 105.19 109.55 1hi9 n GLY 132 Ca -0.16 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 1hi9 n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hi9 h GLU 133 N 0.00 0.55 -0.15 1.61 5.08 -1.91 -0.50 114.58 119.26 1hi9 h GLU 133 Ca 0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1hi9 h GLU 133 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1hi9 h GLU 133 CO 0.00 0.36 -0.12 1.25 -1.00 0.00 0.00 179.01 179.51 1hi9 h LEU 134 N 0.57 -0.37 0.45 1.33 6.46 -1.95 0.24 115.31 122.04 1hi9 h LEU 134 Ca 0.30 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 58.12 1hi9 h LEU 134 Cb 0.27 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1hi9 h LEU 134 CO -0.23 -0.15 -0.22 1.23 -0.62 0.00 0.00 178.44 178.45 1hi9 h GLY 135 N -0.13 -0.63 0.55 3.75 0.00 -1.77 -0.65 103.07 104.20 1hi9 h GLY 135 Ca 0.09 0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.73 1hi9 h GLY 135 CO -0.22 -0.23 0.25 1.41 0.00 0.00 0.00 176.54 177.75 1hi9 h LEU 136 N -0.68 0.31 -1.03 3.11 3.38 -0.98 0.44 115.31 119.86 1hi9 h LEU 136 Ca -0.06 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1hi9 h LEU 136 Cb 0.50 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1hi9 h LEU 136 CO 0.10 0.20 -0.11 0.78 0.09 0.00 0.00 178.44 179.50 1hi9 h ASN 137 N 0.47 0.56 -0.46 -0.43 2.35 -0.88 -1.53 115.58 115.65 1hi9 h ASN 137 Ca 0.27 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1hi9 h ASN 137 Cb 0.26 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1hi9 h ASN 137 CO -0.23 0.70 0.10 0.00 -1.65 0.00 0.00 177.43 176.35 1hi9 h ALA 138 N 1.36 0.61 -0.98 -0.83 0.00 -0.00 -1.22 119.26 118.18 1hi9 h ALA 138 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1hi9 h ALA 138 Cb 0.51 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1hi9 h ALA 138 CO 0.03 0.31 0.63 1.88 0.00 0.00 0.00 179.25 182.10 1hi9 h TYR 139 N 0.62 1.26 -0.26 0.00 0.99 -0.52 0.21 116.97 119.27 1hi9 h TYR 139 Ca 0.14 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.79 1hi9 h TYR 139 Cb 0.35 -0.42 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 1hi9 h TYR 139 CO 0.02 0.81 -0.26 0.28 -0.00 0.00 0.00 178.16 179.01 1hi9 h VAL 140 N 1.34 1.27 -0.42 -2.88 2.07 -1.06 -1.33 116.25 115.24 1hi9 h VAL 140 Ca 0.36 -1.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 1hi9 h VAL 140 Cb -0.12 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1hi9 h VAL 140 CO -0.07 0.41 -0.09 0.00 0.02 0.00 0.00 177.57 177.84 1hi9 h ALA 141 N 1.27 1.07 -0.49 1.67 0.00 -0.16 -2.72 119.26 119.90 1hi9 h ALA 141 Ca 0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1hi9 h ALA 141 Cb 0.69 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hi9 h ALA 141 CO 0.05 0.58 0.07 0.78 0.00 0.00 0.00 179.25 180.72 1hi9 h GLY 142 N 0.97 0.83 1.11 0.00 0.00 0.18 -0.05 103.07 106.11 1hi9 h GLY 142 Ca 0.12 -0.51 0.10 0.00 0.00 0.00 0.00 47.33 47.04 1hi9 h GLY 142 CO 0.03 0.47 0.36 -1.82 0.00 0.00 0.00 176.54 175.58 1hi9 h TYR 143 N 0.74 0.30 -0.62 5.60 3.20 -0.94 0.30 116.97 125.54 1hi9 h TYR 143 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1hi9 h TYR 143 Cb 0.35 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1hi9 h TYR 143 CO 0.02 0.15 0.00 0.66 -1.64 0.00 0.00 178.16 177.34 1hi9 n TYR 144 N -4.46 1.32 -2.71 -3.82 4.02 -0.88 -4.92 117.16 105.71 1hi9 n TYR 144 Ca 0.09 -0.54 -0.20 0.00 -0.01 0.00 0.00 57.90 57.23 1hi9 n TYR 144 Cb 0.39 -0.19 0.01 0.00 -0.02 0.00 0.00 39.34 39.53 1hi9 n TYR 144 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1hi9 n ASP 145 N 1.13 -5.48 -4.52 7.72 8.00 0.10 -4.28 116.55 119.23 1hi9 n ASP 145 Ca 0.24 -0.11 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 1hi9 n ASP 145 Cb 0.80 -4.52 -0.12 0.00 -0.02 0.00 0.00 41.12 37.26 1hi9 n ASP 145 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1hi9 s VAL 146 N -3.01 4.23 0.26 2.53 1.01 -0.08 -4.82 120.40 120.51 1hi9 s VAL 146 Ca 0.14 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1hi9 s VAL 146 Cb -0.07 -2.90 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 1hi9 s VAL 146 CO 0.17 0.45 0.72 -2.16 0.00 0.00 0.00 175.10 174.28 1hi9 s PRO 147 N 0.69 4.13 -0.70 2.72 0.04 -1.26 -3.76 135.00 136.85 1hi9 s PRO 147 Ca 0.01 0.76 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 1hi9 s PRO 147 Cb -0.14 -2.70 0.07 0.00 0.04 0.00 0.00 34.50 31.78 1hi9 s PRO 147 CO 0.02 0.30 1.01 0.08 0.04 0.00 0.00 177.00 178.46 1hi9 s VAL 148 N -1.71 4.32 0.15 -0.36 1.01 -1.26 -0.78 120.40 121.77 1hi9 s VAL 148 Ca 0.47 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1hi9 s VAL 148 Cb -0.14 -4.72 -0.05 0.00 0.00 0.00 0.00 36.38 31.47 1hi9 s VAL 148 CO 0.19 -1.50 1.47 -0.07 0.00 0.00 0.00 175.10 175.19 1hi9 h LEU 149 N 11.38 0.93 -7.81 3.92 3.38 -1.49 -3.44 115.31 122.18 1hi9 h LEU 149 Ca -0.23 -0.45 -0.15 0.00 0.09 0.00 0.00 57.88 57.14 1hi9 h LEU 149 Cb 1.06 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 41.34 1hi9 h LEU 149 CO 1.19 1.24 -0.55 -0.32 0.09 0.00 0.00 178.44 180.08 1hi9 s MET 150 N -4.27 0.42 -0.04 1.13 0.00 -1.21 -2.07 119.30 113.25 1hi9 s MET 150 Ca -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 55.69 55.14 1hi9 s MET 150 Cb 0.11 0.17 0.03 0.00 0.00 0.00 0.00 34.83 35.14 1hi9 s MET 150 CO 0.88 -0.09 0.05 0.08 0.00 0.00 0.00 175.02 175.93 1hi9 s VAL 151 N -1.34 -0.05 0.08 10.11 1.01 -0.27 -1.30 120.40 128.63 1hi9 s VAL 151 Ca -0.14 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.28 1hi9 s VAL 151 Cb -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1hi9 s VAL 151 CO 0.01 0.17 -0.22 0.00 0.00 0.00 0.00 175.10 175.06 1hi9 s ALA 152 N 1.89 2.50 0.00 5.51 0.00 0.75 -1.65 121.76 130.76 1hi9 s ALA 152 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1hi9 s ALA 152 Cb -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1hi9 s ALA 152 CO -0.03 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.70 1hi9 n GLY 153 N 1.28 -0.61 3.95 0.00 0.00 -0.78 -0.76 105.19 108.27 1hi9 n GLY 153 Ca -0.17 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1hi9 n GLY 153 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hi9 s ASP 154 N -4.00 3.60 0.41 1.61 -4.77 -1.24 -0.96 116.67 111.32 1hi9 s ASP 154 Ca 0.00 0.11 0.10 0.00 -3.30 0.00 0.00 52.55 49.46 1hi9 s ASP 154 Cb 0.00 -0.29 0.86 0.00 -1.09 0.00 0.00 42.92 42.40 1hi9 s ASP 154 CO 0.00 -2.40 1.97 -2.24 0.70 0.00 0.00 175.17 173.20 1hi9 h ASP 155 N -1.25 0.23 -0.11 2.11 2.03 -1.63 -2.38 116.42 115.42 1hi9 h ASP 155 Ca -0.42 -0.03 -0.15 0.00 -0.73 0.00 0.00 57.03 55.70 1hi9 h ASP 155 Cb 1.25 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1hi9 h ASP 155 CO 0.41 0.33 -0.45 0.03 -1.03 0.00 0.00 179.24 178.52 1hi9 h ARG 156 N 0.24 0.66 -0.39 4.15 2.47 -1.90 -1.72 114.38 117.89 1hi9 h ARG 156 Ca 0.05 -0.36 -0.16 0.00 -1.26 0.00 0.00 59.98 58.26 1hi9 h ARG 156 Cb 0.27 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1hi9 h ARG 156 CO 0.01 0.97 -0.37 0.00 0.56 0.00 0.00 179.97 181.14 1hi9 h ALA 157 N 0.97 0.61 -0.26 0.04 0.00 -1.79 -1.54 119.26 117.29 1hi9 h ALA 157 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1hi9 h ALA 157 Cb 0.98 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1hi9 h ALA 157 CO 0.09 0.68 0.16 0.00 0.00 0.00 0.00 179.25 180.18 1hi9 h ALA 158 N 0.81 0.33 -0.54 0.00 0.00 -1.31 0.66 119.26 119.22 1hi9 h ALA 158 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hi9 h ALA 158 Cb 0.96 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1hi9 h ALA 158 CO 0.09 -0.18 0.32 -0.22 0.00 0.00 0.00 179.25 179.26 1hi9 h LYS 159 N 0.33 0.73 -0.69 0.00 1.63 -1.22 -1.36 116.57 115.98 1hi9 h LYS 159 Ca 0.09 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1hi9 h LYS 159 Cb -0.01 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.44 1hi9 h LYS 159 CO -0.02 0.53 0.32 1.49 -3.45 0.00 0.00 179.45 178.32 1hi9 h GLU 160 N 0.72 0.99 0.36 1.90 4.81 -0.95 -2.04 114.58 120.37 1hi9 h GLU 160 Ca 0.19 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1hi9 h GLU 160 Cb -0.01 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1hi9 h GLU 160 CO -0.04 0.78 -0.17 0.00 -0.73 0.00 0.00 179.01 178.85 1hi9 h ALA 161 N 1.37 -0.48 0.00 2.92 0.00 -0.30 -3.13 119.26 119.65 1hi9 h ALA 161 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1hi9 h ALA 161 Cb 0.12 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hi9 h ALA 161 CO -0.03 -0.65 -0.05 1.05 0.00 0.00 0.00 179.25 179.58 1hi9 h GLU 162 N -0.72 0.00 -0.00 0.00 4.11 -1.18 0.17 114.58 116.96 1hi9 h GLU 162 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1hi9 h GLU 162 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1hi9 h GLU 162 CO 0.08 0.05 -0.05 0.39 0.07 0.00 0.00 179.01 179.54 1hi9 n GLU 163 N -3.33 0.45 -0.03 1.06 1.02 -0.78 -3.91 120.64 115.11 1hi9 n GLU 163 Ca -0.02 -0.07 -0.05 0.00 -0.02 0.00 0.00 57.16 57.01 1hi9 n GLU 163 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1hi9 n GLU 163 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1hi9 n LEU 164 N -1.22 2.94 -4.14 -4.62 7.94 -0.32 -4.96 117.00 112.63 1hi9 n LEU 164 Ca 0.13 -0.03 -0.35 0.00 -1.11 0.00 0.00 56.01 54.65 1hi9 n LEU 164 Cb 0.26 -0.23 -0.13 0.00 0.53 0.00 0.00 43.42 43.85 1hi9 n LEU 164 CO 0.24 0.60 -0.30 -0.63 -1.11 0.00 0.00 177.39 176.19 1hi9 s ILE 165 N -2.13 2.96 0.25 1.96 1.01 0.46 -5.06 121.20 120.64 1hi9 s ILE 165 Ca -0.09 -1.70 -0.31 0.00 0.00 0.00 0.00 60.65 58.55 1hi9 s ILE 165 Cb 0.02 -2.85 -0.13 0.00 0.01 0.00 0.00 42.46 39.51 1hi9 s ILE 165 CO 0.15 -0.33 1.45 -2.65 0.00 0.00 0.00 174.94 173.57 1hi9 n PRO 166 N 4.56 2.19 -0.89 2.79 -0.02 -1.26 -2.31 135.00 140.06 1hi9 n PRO 166 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1hi9 n PRO 166 Cb 0.43 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1hi9 n PRO 166 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1hi9 n ASN 167 N 2.18 -3.85 -4.76 2.55 3.02 -1.26 -4.58 115.26 108.55 1hi9 n ASN 167 Ca 0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 1hi9 n ASN 167 Cb 0.33 -2.56 0.02 0.00 -0.61 0.00 0.00 39.78 36.95 1hi9 n ASN 167 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1hi9 s VAL 168 N -1.36 2.24 -0.07 2.41 0.11 -0.98 -4.81 120.40 117.95 1hi9 s VAL 168 Ca 0.00 0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 1hi9 s VAL 168 Cb 0.00 -3.11 -0.05 0.00 -1.53 0.00 0.00 36.38 31.69 1hi9 s VAL 168 CO 0.00 0.01 0.50 -0.89 -3.33 0.00 0.00 175.10 171.40 1hi9 s THR 169 N -1.28 5.09 0.09 5.04 2.01 -0.88 -4.89 115.64 120.82 1hi9 s THR 169 Ca 0.65 1.03 0.09 0.00 0.31 0.00 0.00 61.69 63.76 1hi9 s THR 169 Cb -0.40 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1hi9 s THR 169 CO 0.50 0.39 -0.23 0.42 -0.69 0.00 0.00 174.62 175.01 1hi9 s THR 170 N 0.16 1.85 -0.27 -0.82 -4.23 -1.26 -1.12 115.64 109.95 1hi9 s THR 170 Ca 0.27 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1hi9 s THR 170 Cb -0.16 -1.64 0.08 0.00 1.34 0.00 0.00 72.50 72.11 1hi9 s THR 170 CO 0.13 0.07 0.04 0.00 -0.54 0.00 0.00 174.62 174.31 1hi9 s ALA 171 N -1.03 1.68 -0.83 3.99 0.00 -0.66 -4.96 121.76 119.96 1hi9 s ALA 171 Ca 0.09 -1.46 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 1hi9 s ALA 171 Cb -0.10 -1.51 0.11 0.00 0.00 0.00 0.00 23.12 21.62 1hi9 s ALA 171 CO 0.04 -1.43 1.07 0.00 0.00 0.00 0.00 175.76 175.44 1hi9 s ALA 172 N 1.53 3.25 -0.74 0.00 0.00 -1.26 -1.87 121.76 122.67 1hi9 s ALA 172 Ca 0.03 -2.41 0.22 0.00 0.00 0.00 0.00 51.96 49.81 1hi9 s ALA 172 Cb -0.18 -3.99 0.88 0.00 0.00 0.00 0.00 23.12 19.84 1hi9 s ALA 172 CO -0.14 -2.92 1.68 1.33 0.00 0.00 0.00 175.76 175.71 1hi9 n VAL 173 N 5.71 0.73 -3.52 0.00 0.24 -0.13 -4.82 118.33 116.54 1hi9 n VAL 173 Ca 0.13 0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.42 1hi9 n VAL 173 Cb 0.48 -0.93 -0.04 0.00 -1.47 0.00 0.00 33.84 31.88 1hi9 n VAL 173 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1hi9 s LYS 174 N -3.15 1.13 -0.17 7.34 -2.85 -1.25 -3.20 119.74 117.59 1hi9 s LYS 174 Ca 0.07 -0.32 -0.06 0.00 -1.00 0.00 0.00 55.97 54.67 1hi9 s LYS 174 Cb 0.11 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.36 1hi9 s LYS 174 CO 0.41 -0.44 0.02 -0.65 0.10 0.00 0.00 175.35 174.79 1hi9 s GLN 175 N -2.94 3.86 0.07 1.78 -1.52 0.13 -1.62 119.66 119.42 1hi9 s GLN 175 Ca -0.03 -0.41 -0.30 0.00 -1.95 0.00 0.00 55.36 52.67 1hi9 s GLN 175 Cb -0.00 -3.09 -0.05 0.00 -0.22 0.00 0.00 33.01 29.64 1hi9 s GLN 175 CO -0.06 0.27 1.05 0.99 -0.25 0.00 0.00 175.29 177.29 1hi9 s THR 176 N 0.35 4.41 -0.10 -0.19 2.01 -1.26 -0.11 115.64 120.75 1hi9 s THR 176 Ca 0.00 1.84 0.02 0.00 0.31 0.00 0.00 61.69 63.87 1hi9 s THR 176 Cb -0.13 -4.18 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 1hi9 s THR 176 CO 0.01 0.21 -0.07 -0.38 -0.69 0.00 0.00 174.62 173.70 1hi9 n ILE 177 N 3.36 0.61 -3.97 1.82 5.41 -0.35 -4.91 119.36 121.32 1hi9 n ILE 177 Ca 0.05 -0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.42 1hi9 n ILE 177 Cb 0.49 -0.86 -0.01 0.00 -0.71 0.00 0.00 39.64 38.55 1hi9 n ILE 177 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1hi9 s SER 178 N -4.84 0.61 0.24 4.38 1.04 -0.86 -4.97 113.70 109.30 1hi9 s SER 178 Ca -0.12 -1.39 0.21 0.00 0.48 0.00 0.00 55.95 55.13 1hi9 s SER 178 Cb 0.03 0.76 0.96 0.00 0.10 0.00 0.00 66.02 67.87 1hi9 s SER 178 CO 0.27 -1.49 1.65 -1.14 0.98 0.00 0.00 173.24 173.50 1hi9 n ARG 179 N -0.57 0.16 -2.15 4.02 0.63 -1.26 -2.98 116.66 114.51 1hi9 n ARG 179 Ca -0.03 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 1hi9 n ARG 179 Cb 0.61 -1.85 0.05 0.00 0.45 0.00 0.00 32.46 31.71 1hi9 n ARG 179 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1hi9 n SER 180 N -2.15 1.62 -3.65 6.15 3.41 -1.26 0.41 113.62 118.14 1hi9 n SER 180 Ca 0.01 -2.25 -0.13 0.00 -0.26 0.00 0.00 58.87 56.23 1hi9 n SER 180 Cb 0.16 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1hi9 n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hi9 s ALA 181 N -2.33 -1.60 0.15 7.33 0.00 -1.16 -4.57 121.76 119.58 1hi9 s ALA 181 Ca 0.32 1.85 -0.11 0.00 0.00 0.00 0.00 51.96 54.02 1hi9 s ALA 181 Cb 0.36 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1hi9 s ALA 181 CO -0.08 -0.31 0.31 0.14 0.00 0.00 0.00 175.76 175.82 1hi9 s VAL 182 N 0.44 0.08 -0.28 0.00 -7.23 -1.26 -1.22 120.40 110.93 1hi9 s VAL 182 Ca -0.01 -1.17 -0.05 0.00 -1.81 0.00 0.00 61.98 58.94 1hi9 s VAL 182 Cb -0.05 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.28 1hi9 s VAL 182 CO -0.01 -0.35 0.04 -0.75 -0.31 0.00 0.00 175.10 173.72 1hi9 s LYS 183 N -3.91 3.07 0.36 4.82 2.20 0.85 -4.91 119.74 122.21 1hi9 s LYS 183 Ca 0.12 -0.86 0.09 0.00 -0.36 0.00 0.00 55.97 54.96 1hi9 s LYS 183 Cb 0.03 -3.25 -0.06 0.00 -1.51 0.00 0.00 37.83 33.04 1hi9 s LYS 183 CO -0.04 -0.40 0.01 0.00 -0.36 0.00 0.00 175.35 174.56 1hi9 s LEU 185 N -3.72 4.07 0.66 0.00 1.43 -1.20 -5.01 118.68 114.92 1hi9 s LEU 185 Ca 0.35 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 53.93 1hi9 s LEU 185 Cb 0.02 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1hi9 s LEU 185 CO 0.19 -0.20 1.21 -0.94 0.23 0.00 0.00 176.35 176.84 1hi9 s SER 186 N -3.29 4.69 0.31 2.29 1.04 -1.26 -4.63 113.70 112.86 1hi9 s SER 186 Ca 0.43 2.36 0.08 0.00 0.48 0.00 0.00 55.95 59.30 1hi9 s SER 186 Cb -0.11 -2.59 0.85 0.00 0.10 0.00 0.00 66.02 64.27 1hi9 s SER 186 CO 0.31 -1.93 1.72 -0.65 0.98 0.00 0.00 173.24 173.67 1hi9 h PRO 187 N 0.25 0.53 -0.21 4.02 0.11 -1.97 0.73 132.00 135.46 1hi9 h PRO 187 Ca -0.49 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.42 1hi9 h PRO 187 Cb 1.30 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1hi9 h PRO 187 CO 0.52 0.35 -0.55 0.00 -0.21 0.00 0.00 178.00 178.11 1hi9 h ALA 188 N 1.72 0.63 -0.37 -0.75 0.00 -2.00 -2.47 119.26 116.03 1hi9 h ALA 188 Ca 0.63 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1hi9 h ALA 188 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1hi9 h ALA 188 CO -0.49 0.69 0.00 -0.22 0.00 0.00 0.00 179.25 179.23 1hi9 h LYS 189 N 0.50 0.66 -0.25 0.00 3.64 -1.27 -2.49 116.57 117.35 1hi9 h LYS 189 Ca 0.01 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1hi9 h LYS 189 Cb 1.12 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1hi9 h LYS 189 CO 0.11 0.76 -0.05 0.07 -2.27 0.00 0.00 179.45 178.07 1hi9 h ARG 190 N 0.48 0.38 -0.50 1.90 0.11 -1.09 -2.40 114.38 113.25 1hi9 h ARG 190 Ca 0.11 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1hi9 h ARG 190 Cb 0.46 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 1hi9 h ARG 190 CO 0.02 0.46 0.32 0.78 0.10 0.00 0.00 179.97 181.65 1hi9 h GLY 191 N 0.77 0.72 0.85 0.08 0.00 -1.00 0.11 103.07 104.60 1hi9 h GLY 191 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1hi9 h GLY 191 CO 0.01 0.28 0.05 3.21 0.00 0.00 0.00 176.54 180.09 1hi9 h ARG 192 N 0.68 0.23 -0.26 4.80 3.08 -1.14 0.16 114.38 121.93 1hi9 h ARG 192 Ca 0.18 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1hi9 h ARG 192 Cb -0.04 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.91 1hi9 h ARG 192 CO -0.04 0.35 -0.13 1.25 -1.07 0.00 0.00 179.97 180.33 1hi9 h LEU 193 N 0.06 -0.43 -0.82 3.04 5.85 -1.10 0.17 115.31 122.08 1hi9 h LEU 193 Ca 0.05 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1hi9 h LEU 193 Cb 0.21 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1hi9 h LEU 193 CO -0.00 -0.16 0.37 -0.07 -0.34 0.00 0.00 178.44 178.24 1hi9 h LEU 194 N -0.10 1.09 0.01 2.25 3.38 -0.61 0.63 115.31 121.96 1hi9 h LEU 194 Ca 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hi9 h LEU 194 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1hi9 h LEU 194 CO -0.32 0.93 -0.00 0.74 0.09 0.00 0.00 178.44 179.88 1hi9 h THR 195 N 1.17 1.06 0.12 0.22 2.02 0.28 0.04 112.91 117.82 1hi9 h THR 195 Ca 0.28 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1hi9 h THR 195 Cb 0.15 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1hi9 h THR 195 CO -0.03 0.06 -0.06 -0.33 0.37 0.00 0.00 175.52 175.52 1hi9 h GLU 196 N -0.11 -0.16 -0.98 6.66 5.08 -0.54 -2.00 114.58 122.53 1hi9 h GLU 196 Ca -0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1hi9 h GLU 196 Cb 0.10 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1hi9 h GLU 196 CO 0.00 0.04 0.64 0.87 -1.00 0.00 0.00 179.01 179.56 1hi9 h LYS 197 N -0.34 1.15 -0.53 2.33 1.79 -0.85 -0.71 116.57 119.42 1hi9 h LYS 197 Ca -0.02 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.29 1hi9 h LYS 197 Cb 0.27 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1hi9 h LYS 197 CO 0.03 0.76 -0.02 1.15 -1.08 0.00 0.00 179.45 180.29 1hi9 h THR 198 N 1.18 1.27 -0.13 -0.16 2.02 -0.89 -0.27 112.91 115.93 1hi9 h THR 198 Ca 0.41 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1hi9 h THR 198 Cb 0.11 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1hi9 h THR 198 CO -0.15 0.40 0.06 0.00 0.37 0.00 0.00 175.52 176.21 1hi9 h ALA 199 N 0.94 0.16 -0.74 6.16 0.00 -0.60 -2.20 119.26 122.99 1hi9 h ALA 199 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1hi9 h ALA 199 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1hi9 h ALA 199 CO 0.03 -0.29 0.33 0.35 0.00 0.00 0.00 179.25 179.67 1hi9 h PHE 200 N 0.09 1.09 -0.77 0.00 3.57 -1.06 -2.57 116.94 117.28 1hi9 h PHE 200 Ca 0.04 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1hi9 h PHE 200 Cb 0.10 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1hi9 h PHE 200 CO -0.04 0.81 0.51 0.00 -2.23 0.00 0.00 178.31 177.37 1hi9 h ALA 201 N 1.16 0.98 -0.16 2.41 0.00 -0.88 0.28 119.26 123.05 1hi9 h ALA 201 Ca 0.25 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1hi9 h ALA 201 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1hi9 h ALA 201 CO -0.03 0.39 -0.46 -0.07 0.00 0.00 0.00 179.25 179.09 1hi9 h LEU 202 N 1.05 0.43 0.00 0.00 3.38 -1.22 -2.32 115.31 116.62 1hi9 h LEU 202 Ca 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1hi9 h LEU 202 Cb -0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1hi9 h LEU 202 CO -0.06 0.83 -0.58 0.06 0.09 0.00 0.00 178.44 178.78 1hi9 h GLN 203 N 0.33 0.00 -0.64 1.13 3.07 -1.20 -3.27 115.11 114.53 1hi9 h GLN 203 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1hi9 h GLN 203 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.49 1hi9 h GLN 203 CO 0.08 0.00 0.00 -1.71 0.09 0.00 0.00 178.83 177.29 1hi9 n ASN 204 N -2.85 4.19 -0.13 0.06 2.85 0.07 -4.62 115.26 114.83 1hi9 n ASN 204 Ca 0.02 -2.23 0.21 0.00 -0.11 0.00 0.00 54.58 52.46 1hi9 n ASN 204 Cb 0.54 -0.50 0.62 0.00 1.24 0.00 0.00 39.78 41.68 1hi9 n ASN 204 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1hi9 h LYS 205 N 3.85 0.17 0.00 1.20 2.10 -1.47 -1.78 116.57 120.64 1hi9 h LYS 205 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1hi9 h LYS 205 Cb 1.18 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1hi9 h LYS 205 CO 0.11 0.11 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.18 1hi9 h ASP 206 N 0.17 0.00 0.24 7.07 5.19 -1.88 -2.04 116.42 125.17 1hi9 h ASP 206 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1hi9 h ASP 206 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1hi9 h ASP 206 CO -0.06 0.05 -0.03 0.29 -3.12 0.00 0.00 179.24 176.36 1hi9 n LYS 207 N -3.76 0.85 -4.54 3.56 5.02 -0.67 -4.79 118.16 113.82 1hi9 n LYS 207 Ca -0.03 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.75 1hi9 n LYS 207 Cb 0.14 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.53 1hi9 n LYS 207 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hi9 s VAL 208 N -2.28 3.62 0.13 -0.18 1.01 -0.77 -4.70 120.40 117.23 1hi9 s VAL 208 Ca 0.37 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1hi9 s VAL 208 Cb 0.21 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1hi9 s VAL 208 CO 0.42 0.52 -0.03 -0.54 0.00 0.00 0.00 175.10 175.46 1hi9 s LYS 209 N 0.20 2.35 0.43 2.72 1.02 -1.26 -4.86 119.74 120.32 1hi9 s LYS 209 Ca -0.04 -1.01 -0.26 0.00 0.02 0.00 0.00 55.97 54.68 1hi9 s LYS 209 Cb -0.14 -2.39 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 1hi9 s LYS 209 CO 0.04 0.50 1.43 -2.14 -0.92 0.00 0.00 175.35 174.25 1hi9 s PRO 210 N -2.53 3.82 -1.23 -1.68 0.02 -1.26 -4.65 135.00 127.49 1hi9 s PRO 210 Ca 0.25 2.43 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 1hi9 s PRO 210 Cb -0.11 -2.74 0.10 0.00 0.02 0.00 0.00 34.50 31.77 1hi9 s PRO 210 CO 0.17 -0.72 1.60 -1.17 -0.33 0.00 0.00 177.00 176.55 1hi9 s LEU 211 N -2.54 4.23 0.14 -5.54 0.20 -1.26 -4.95 118.68 108.96 1hi9 s LEU 211 Ca 0.58 -2.52 -0.31 0.00 0.69 0.00 0.00 54.13 52.57 1hi9 s LEU 211 Cb -0.44 -2.52 -0.11 0.00 -0.43 0.00 0.00 46.19 42.70 1hi9 s LEU 211 CO 0.57 -1.06 1.83 -0.89 -0.29 0.00 0.00 176.35 176.51 1hi9 s THR 212 N 3.42 2.41 0.41 3.68 2.01 -1.26 -4.03 115.64 122.28 1hi9 s THR 212 Ca 0.49 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1hi9 s THR 212 Cb 0.01 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1hi9 s THR 212 CO 0.03 0.00 0.65 -2.16 -0.69 0.00 0.00 174.62 172.45 1hi9 s PRO 213 N 2.53 3.38 0.85 4.92 0.04 -1.26 -5.04 135.00 140.43 1hi9 s PRO 213 Ca 0.81 -0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 1hi9 s PRO 213 Cb -0.47 -2.55 0.11 0.00 0.04 0.00 0.00 34.50 31.63 1hi9 s PRO 213 CO 0.36 -0.06 1.18 -2.14 0.04 0.00 0.00 177.00 176.38 1hi9 s PRO 214 N -4.50 1.35 0.04 0.56 0.02 -1.26 -4.95 135.00 126.27 1hi9 s PRO 214 Ca 0.44 1.69 -0.25 0.00 0.02 0.00 0.00 61.00 62.90 1hi9 s PRO 214 Cb -0.10 -1.75 -0.17 0.00 0.02 0.00 0.00 34.50 32.50 1hi9 s PRO 214 CO 0.39 -2.41 1.53 -0.44 -0.33 0.00 0.00 177.00 175.73 1hi9 h ASP 215 N -1.32 -0.07 -2.29 2.53 3.45 -1.98 -3.34 116.42 113.41 1hi9 h ASP 215 Ca -0.45 -0.18 -0.60 0.00 0.43 0.00 0.00 57.03 56.23 1hi9 h ASP 215 Cb 1.29 0.02 -0.42 0.00 -0.56 0.00 0.00 39.33 39.66 1hi9 h ASP 215 CO 0.44 0.14 -0.65 0.54 -1.57 0.00 0.00 179.24 178.13 1hi9 n ARG 216 N -5.04 2.20 -1.73 3.56 1.74 -1.26 -3.94 116.66 112.19 1hi9 n ARG 216 Ca -0.08 -4.47 -0.39 0.00 -0.77 0.00 0.00 57.85 52.14 1hi9 n ARG 216 Cb 0.14 -2.14 0.03 0.00 -1.02 0.00 0.00 32.46 29.48 1hi9 n ARG 216 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hi9 n PRO 217 N 1.09 1.85 -3.66 5.56 -0.04 -1.25 -4.67 135.00 133.87 1hi9 n PRO 217 Ca 0.28 0.67 -0.39 0.00 -0.04 0.00 0.00 63.50 64.02 1hi9 n PRO 217 Cb 0.42 -2.53 -0.12 0.00 -0.04 0.00 0.00 33.50 31.23 1hi9 n PRO 217 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hi9 s VAL 218 N -1.26 4.36 -0.03 0.52 1.01 -1.26 -1.56 120.40 122.18 1hi9 s VAL 218 Ca 0.67 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 61.63 1hi9 s VAL 218 Cb -0.44 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1hi9 s VAL 218 CO 0.53 -0.11 0.73 -0.22 0.00 0.00 0.00 175.10 176.03 1hi9 s LEU 219 N 1.53 4.36 -0.06 3.92 2.96 -0.43 -1.66 118.68 129.31 1hi9 s LEU 219 Ca 0.02 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.24 1hi9 s LEU 219 Cb -0.18 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.38 1hi9 s LEU 219 CO 0.05 -0.07 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.44 1hi9 s SER 220 N 0.51 1.82 -0.13 3.68 0.01 -0.05 -0.67 113.70 118.88 1hi9 s SER 220 Ca 0.38 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 57.34 1hi9 s SER 220 Cb -0.19 -0.73 0.02 0.00 0.21 0.00 0.00 66.02 65.33 1hi9 s SER 220 CO 0.20 0.06 -0.10 -0.63 0.41 0.00 0.00 173.24 173.18 1hi9 s ILE 221 N 0.47 1.24 -0.25 1.44 1.01 -0.48 0.13 121.20 124.76 1hi9 s ILE 221 Ca -0.11 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 1hi9 s ILE 221 Cb -0.14 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1hi9 s ILE 221 CO 0.03 0.40 0.22 -0.70 0.00 0.00 0.00 174.94 174.89 1hi9 s GLU 222 N 1.62 4.04 0.26 2.79 2.12 -0.19 -0.84 118.70 128.51 1hi9 s GLU 222 Ca 0.05 -0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.24 1hi9 s GLU 222 Cb -0.13 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1hi9 s GLU 222 CO -0.09 -0.06 0.39 -0.06 -0.54 0.00 0.00 175.26 174.90 1hi9 s PHE 223 N 1.40 3.39 0.17 5.30 0.40 -0.59 0.12 117.98 128.16 1hi9 s PHE 223 Ca 0.10 -0.04 -0.14 0.00 -0.60 0.00 0.00 56.93 56.25 1hi9 s PHE 223 Cb -0.15 -1.67 0.06 0.00 0.51 0.00 0.00 43.02 41.77 1hi9 s PHE 223 CO 0.07 0.33 1.79 0.00 0.70 0.00 0.00 175.22 178.12 1hi9 h ALA 224 N 1.09 0.67 -2.10 5.36 0.00 -0.97 -3.44 119.26 119.87 1hi9 h ALA 224 Ca -0.51 -0.08 -0.44 0.00 0.00 0.00 0.00 54.91 53.88 1hi9 h ALA 224 Cb 1.23 -0.21 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 1hi9 h ALA 224 CO 0.59 0.17 -0.62 0.54 0.00 0.00 0.00 179.25 179.94 1hi9 s ASN 225 N -5.79 2.14 0.36 0.00 4.22 -1.26 -5.05 114.94 109.56 1hi9 s ASN 225 Ca -0.13 -1.35 0.13 0.00 -2.14 0.00 0.00 52.86 49.37 1hi9 s ASN 225 Cb 0.12 -0.04 0.69 0.00 1.28 0.00 0.00 41.25 43.30 1hi9 s ASN 225 CO 0.76 -0.60 1.80 0.22 -2.04 0.00 0.00 177.10 177.23 1hi9 h TYR 226 N 2.21 0.00 -0.80 1.54 3.20 -1.92 -3.00 116.97 118.19 1hi9 h TYR 226 Ca -0.40 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.49 1hi9 h TYR 226 Cb 1.24 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.47 1hi9 h TYR 226 CO 0.56 0.40 0.52 0.78 -1.64 0.00 0.00 178.16 178.78 1hi9 h GLY 227 N 1.23 1.14 1.91 1.82 0.00 -1.96 0.51 103.07 107.72 1hi9 h GLY 227 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1hi9 h GLY 227 CO 0.05 0.38 -0.39 1.46 0.00 0.00 0.00 176.54 178.04 1hi9 h GLN 228 N 1.05 0.10 -0.26 4.80 4.20 -1.83 -2.24 115.11 120.92 1hi9 h GLN 228 Ca 0.30 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.85 1hi9 h GLN 228 Cb -0.07 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1hi9 h GLN 228 CO -0.08 0.48 -0.32 0.00 -0.67 0.00 0.00 178.83 178.24 1hi9 h ALA 229 N 1.52 0.39 -0.56 3.87 0.00 -1.27 -2.60 119.26 120.61 1hi9 h ALA 229 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1hi9 h ALA 229 Cb 0.74 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1hi9 h ALA 229 CO 0.05 0.43 0.33 0.93 0.00 0.00 0.00 179.25 181.00 1hi9 h GLU 230 N 0.41 0.62 0.06 0.00 5.08 -0.57 0.68 114.58 120.86 1hi9 h GLU 230 Ca 0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1hi9 h GLU 230 Cb 0.90 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1hi9 h GLU 230 CO 0.08 0.41 -0.17 -1.49 -1.00 0.00 0.00 179.01 176.84 1hi9 h TRP 231 N 0.64 -0.45 -0.41 4.33 4.06 -1.35 -2.35 115.95 120.43 1hi9 h TRP 231 Ca 0.23 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.15 1hi9 h TRP 231 Cb 0.05 0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1hi9 h TRP 231 CO -0.07 -0.25 0.07 0.00 -3.56 0.00 0.00 178.44 174.64 1hi9 h ALA 232 N 0.57 1.37 0.00 1.49 0.00 -1.21 -2.02 119.26 119.46 1hi9 h ALA 232 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1hi9 h ALA 232 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hi9 h ALA 232 CO -0.12 0.45 0.00 -1.71 0.00 0.00 0.00 179.25 177.87 1hi9 n ASN 233 N -4.30 0.00 0.06 0.00 5.15 0.21 -1.61 115.26 114.77 1hi9 n ASN 233 Ca 0.02 -0.51 -0.05 0.00 -0.60 0.00 0.00 54.58 53.45 1hi9 n ASN 233 Cb 0.21 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.37 1hi9 n ASN 233 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1hi9 h LEU 234 N 0.00 0.00 -9.63 1.20 4.07 -1.24 -3.46 115.31 106.26 1hi9 h LEU 234 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1hi9 h LEU 234 Cb 0.00 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.78 1hi9 h LEU 234 CO 0.00 0.89 0.79 -0.32 -1.08 0.00 0.00 178.44 178.72 1hi9 s MET 235 N -2.75 4.27 0.35 1.13 1.75 -0.63 -4.94 119.30 118.48 1hi9 s MET 235 Ca 0.00 2.25 -0.28 0.00 -1.25 0.00 0.00 55.69 56.41 1hi9 s MET 235 Cb 0.09 -3.17 -0.12 0.00 2.84 0.00 0.00 34.83 34.47 1hi9 s MET 235 CO 0.81 -0.49 1.29 -2.30 -0.65 0.00 0.00 175.02 173.68 1hi9 n PRO 236 N 3.49 2.12 -0.56 4.11 -0.02 -1.26 -2.64 135.00 140.25 1hi9 n PRO 236 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1hi9 n PRO 236 Cb 0.40 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1hi9 n PRO 236 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hi9 n GLY 237 N 0.76 0.74 3.81 -1.23 0.00 -1.26 -5.06 105.19 102.95 1hi9 n GLY 237 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1hi9 n GLY 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hi9 s THR 238 N -2.42 3.82 -0.17 2.61 -4.23 -1.08 -4.21 115.64 109.97 1hi9 s THR 238 Ca 0.00 -1.48 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 1hi9 s THR 238 Cb 0.00 -3.21 0.06 0.00 1.34 0.00 0.00 72.50 70.69 1hi9 s THR 238 CO 0.00 -0.27 0.58 -0.70 -0.54 0.00 0.00 174.62 173.69 1hi9 s GLU 239 N -3.88 0.76 -0.13 3.99 2.12 -0.87 -4.97 118.70 115.70 1hi9 s GLU 239 Ca 0.36 0.60 -0.15 0.00 0.36 0.00 0.00 54.97 56.15 1hi9 s GLU 239 Cb -0.06 0.36 -0.05 0.00 0.26 0.00 0.00 34.13 34.64 1hi9 s GLU 239 CO 0.25 -0.14 0.35 0.42 -0.54 0.00 0.00 175.26 175.59 1hi9 s ILE 240 N -0.15 5.25 -0.43 -3.70 1.01 -1.26 -0.61 121.20 121.32 1hi9 s ILE 240 Ca -0.04 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 1hi9 s ILE 240 Cb -0.03 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1hi9 s ILE 240 CO 0.03 0.40 1.40 -0.75 0.00 0.00 0.00 174.94 176.02 1hi9 s LYS 241 N 0.28 3.56 0.17 2.79 2.47 -0.66 -4.95 119.74 123.40 1hi9 s LYS 241 Ca 0.20 0.88 -0.32 0.00 -1.56 0.00 0.00 55.97 55.17 1hi9 s LYS 241 Cb -0.14 -4.03 -0.17 0.00 -1.46 0.00 0.00 37.83 32.04 1hi9 s LYS 241 CO 0.06 -1.59 0.89 0.25 0.16 0.00 0.00 175.35 175.13 1hi9 n THR 242 N 7.06 1.30 -0.95 3.43 -2.24 -1.26 -1.44 114.28 120.18 1hi9 n THR 242 Ca 0.16 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1hi9 n THR 242 Cb 0.48 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1hi9 n THR 242 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hi9 n GLY 243 N 1.79 0.51 3.24 3.38 0.00 -1.26 -5.02 105.19 107.84 1hi9 n GLY 243 Ca 0.16 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1hi9 n GLY 243 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hi9 n THR 244 N -2.95 0.00 -1.41 2.61 -2.24 -0.52 -5.03 114.28 104.74 1hi9 n THR 244 Ca 0.00 -2.26 0.05 0.00 -2.27 0.00 0.00 64.05 59.57 1hi9 n THR 244 Cb 0.00 1.18 0.19 0.00 -2.10 0.00 0.00 70.33 69.61 1hi9 n THR 244 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hi9 n THR 245 N -0.62 2.21 -3.89 4.28 -2.24 -1.26 -4.78 114.28 107.97 1hi9 n THR 245 Ca 0.06 -2.84 -0.36 0.00 -2.27 0.00 0.00 64.05 58.64 1hi9 n THR 245 Cb 0.60 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 1hi9 n THR 245 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1hi9 s THR 246 N -3.13 5.29 -0.09 4.28 2.01 -1.26 -1.54 115.64 121.20 1hi9 s THR 246 Ca 0.38 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.56 1hi9 s THR 246 Cb 0.35 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 1hi9 s THR 246 CO -0.02 0.55 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.52 1hi9 s VAL 247 N -0.45 2.06 0.14 3.82 1.01 -0.02 -1.65 120.40 125.30 1hi9 s VAL 247 Ca 0.11 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1hi9 s VAL 247 Cb -0.12 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1hi9 s VAL 247 CO 0.02 0.56 -0.03 -1.10 0.00 0.00 0.00 175.10 174.55 1hi9 s GLN 248 N 0.18 2.35 -0.15 2.72 -0.21 0.22 -1.39 119.66 123.39 1hi9 s GLN 248 Ca -0.14 -1.04 -0.04 0.00 0.02 0.00 0.00 55.36 54.16 1hi9 s GLN 248 Cb -0.17 -2.38 0.07 0.00 1.00 0.00 0.00 33.01 31.54 1hi9 s GLN 248 CO 0.07 0.48 0.24 0.12 -2.12 0.00 0.00 175.29 174.09 1hi9 s PHE 249 N -1.52 -0.36 -0.31 0.91 5.36 0.16 -2.06 117.98 120.16 1hi9 s PHE 249 Ca 0.26 0.67 -0.29 0.00 -0.96 0.00 0.00 56.93 56.61 1hi9 s PHE 249 Cb -0.10 -0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.42 1hi9 s PHE 249 CO 0.17 -0.44 1.05 -1.14 -1.46 0.00 0.00 175.22 173.40 1hi9 s GLN 250 N 2.38 4.07 0.27 10.12 2.00 -1.26 -1.32 119.66 135.92 1hi9 s GLN 250 Ca 0.04 1.04 0.06 0.00 -2.00 0.00 0.00 55.36 54.50 1hi9 s GLN 250 Cb -0.13 -3.73 -0.02 0.00 0.80 0.00 0.00 33.01 29.92 1hi9 s GLN 250 CO -0.10 -0.87 0.36 0.00 -0.50 0.00 0.00 175.29 174.19 1hi9 s ALA 251 N 3.57 3.96 0.09 1.58 0.00 -0.60 -5.00 121.76 125.36 1hi9 s ALA 251 Ca 0.44 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1hi9 s ALA 251 Cb -0.12 -1.63 -0.26 0.00 0.00 0.00 0.00 23.12 21.11 1hi9 s ALA 251 CO 0.15 0.16 1.19 0.87 0.00 0.00 0.00 175.76 178.12 1hi9 h LYS 252 N 1.14 0.17 -3.11 0.00 1.57 -1.88 -3.36 116.57 111.11 1hi9 h LYS 252 Ca -0.49 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 57.98 1hi9 h LYS 252 Cb 1.24 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1hi9 h LYS 252 CO 0.59 1.14 0.21 0.16 -0.57 0.00 0.00 179.45 180.98 1hi9 s ASP 253 N -6.99 -0.02 0.31 0.86 -4.77 -1.25 -4.27 116.67 100.53 1hi9 s ASP 253 Ca -0.02 -0.99 -0.00 0.00 -3.30 0.00 0.00 52.55 48.23 1hi9 s ASP 253 Cb 0.08 0.79 0.51 0.00 -1.09 0.00 0.00 42.92 43.20 1hi9 s ASP 253 CO 0.86 -1.53 1.97 -0.03 0.70 0.00 0.00 175.17 177.14 1hi9 h MET 254 N 2.02 1.01 -0.85 2.11 1.85 -1.80 -1.43 114.93 117.85 1hi9 h MET 254 Ca -0.27 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 58.73 1hi9 h MET 254 Cb 1.25 -0.23 -0.04 0.00 0.43 0.00 0.00 31.60 33.01 1hi9 h MET 254 CO 0.35 0.67 0.42 -0.07 -0.40 0.00 0.00 176.91 177.88 1hi9 h LEU 255 N 1.04 1.10 -0.54 3.39 3.38 -1.96 0.87 115.31 122.58 1hi9 h LEU 255 Ca 0.30 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1hi9 h LEU 255 Cb -0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1hi9 h LEU 255 CO -0.07 0.91 -0.66 -0.08 0.09 0.00 0.00 178.44 178.63 1hi9 h GLU 256 N 1.20 0.30 -0.43 1.13 4.81 -1.85 -2.69 114.58 117.06 1hi9 h GLU 256 Ca 0.29 -0.22 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1hi9 h GLU 256 Cb 0.09 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1hi9 h GLU 256 CO -0.04 0.85 -0.10 0.00 -0.73 0.00 0.00 179.01 179.00 1hi9 h ALA 257 N 1.09 1.03 0.02 2.92 0.00 -0.65 -0.48 119.26 123.19 1hi9 h ALA 257 Ca -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1hi9 h ALA 257 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1hi9 h ALA 257 CO 0.11 0.59 -0.01 -0.92 0.00 0.00 0.00 179.25 179.01 1hi9 h TYR 258 N 0.69 -0.03 -0.25 0.00 3.20 -0.68 -2.04 116.97 117.86 1hi9 h TYR 258 Ca 0.12 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1hi9 h TYR 258 Cb 0.56 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1hi9 h TYR 258 CO 0.03 0.25 -0.02 1.96 -1.64 0.00 0.00 178.16 178.74 1hi9 h GLN 259 N -0.30 0.37 -0.18 1.82 4.20 -1.39 -0.27 115.11 119.36 1hi9 h GLN 259 Ca -0.00 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1hi9 h GLN 259 Cb 0.29 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1hi9 h GLN 259 CO 0.00 0.42 -0.11 0.00 -0.67 0.00 0.00 178.83 178.47 1hi9 h ALA 260 N 1.63 1.49 -0.18 3.87 0.00 -0.88 -1.22 119.26 123.97 1hi9 h ALA 260 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1hi9 h ALA 260 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1hi9 h ALA 260 CO 0.01 0.36 -0.02 1.98 0.00 0.00 0.00 179.25 181.58 1hi9 h MET 261 N 0.27 0.32 -0.18 0.00 1.85 -0.35 -0.87 114.93 115.97 1hi9 h MET 261 Ca 0.06 -0.11 0.04 0.00 -0.61 0.00 0.00 59.70 59.08 1hi9 h MET 261 Cb 0.36 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.32 1hi9 h MET 261 CO 0.02 0.55 -0.09 -0.07 -0.40 0.00 0.00 176.91 176.92 1hi9 h LEU 262 N 0.06 -0.30 -0.16 3.39 3.38 -0.62 -0.46 115.31 120.60 1hi9 h LEU 262 Ca 0.05 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1hi9 h LEU 262 Cb 0.42 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1hi9 h LEU 262 CO 0.01 -0.12 0.01 0.58 0.09 0.00 0.00 178.44 179.01 1hi9 h VAL 263 N -0.08 1.24 -0.89 1.22 2.07 -1.22 -0.84 116.25 117.75 1hi9 h VAL 263 Ca 0.10 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1hi9 h VAL 263 Cb 0.22 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1hi9 h VAL 263 CO -0.23 0.24 0.51 0.24 0.02 0.00 0.00 177.57 178.35 1hi9 h MET 264 N 0.03 1.24 -0.11 1.57 2.86 -1.03 -0.20 114.93 119.28 1hi9 h MET 264 Ca 0.05 -0.13 -0.19 0.00 -2.06 0.00 0.00 59.70 57.36 1hi9 h MET 264 Cb 0.35 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1hi9 h MET 264 CO 0.01 0.89 -0.72 1.79 1.06 0.00 0.00 176.91 179.94 1hi9 h THR 265 N 1.25 1.35 -0.75 2.22 1.35 -1.06 -1.58 112.91 115.68 1hi9 h THR 265 Ca 0.32 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1hi9 h THR 265 Cb 0.00 2.04 -0.04 0.00 -1.73 0.00 0.00 68.15 68.42 1hi9 h THR 265 CO -0.05 0.63 0.48 -0.08 -0.25 0.00 0.00 175.52 176.25 1hi9 h GLU 266 N 0.36 1.00 -0.38 4.72 4.57 -0.63 -0.39 114.58 123.83 1hi9 h GLU 266 Ca -0.03 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1hi9 h GLU 266 Cb 1.30 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1hi9 h GLU 266 CO 0.13 0.68 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.53 1hi9 h LEU 267 N 1.03 0.69 -1.77 1.64 3.38 -0.93 -2.88 115.31 116.47 1hi9 h LEU 267 Ca 0.27 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1hi9 h LEU 267 Cb -0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1hi9 h LEU 267 CO -0.06 0.87 0.05 0.00 0.09 0.00 0.00 178.44 179.39 1hi9 h ALA 268 N 0.85 1.82 -0.02 1.53 0.00 -0.80 -2.02 119.26 120.62 1hi9 h ALA 268 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hi9 h ALA 268 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1hi9 h ALA 268 CO 0.03 0.15 0.02 0.52 0.00 0.00 0.00 179.25 179.97 1hi9 h MET 269 N 0.20 0.00 0.00 0.00 2.86 -0.85 -1.75 114.93 115.40 1hi9 h MET 269 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1hi9 h MET 269 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1hi9 h MET 269 CO -0.01 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.50 1hi9 n ARG 270 N -3.62 0.09 -1.67 1.72 5.12 -0.76 -4.90 116.66 112.64 1hi9 n ARG 270 Ca -0.03 0.09 -0.46 0.00 -1.93 0.00 0.00 57.85 55.53 1hi9 n ARG 270 Cb 0.11 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 29.76 1hi9 n ARG 270 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1hi9 n THR 271 N -1.77 0.25 -3.25 0.55 -1.04 -0.66 -5.00 114.28 103.35 1hi9 n THR 271 Ca 0.06 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1hi9 n THR 271 Cb 0.36 -1.51 -0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1hi9 n THR 271 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1hi9 s SER 272 N 0.74 5.33 -1.09 8.00 1.04 -1.26 -4.71 113.70 121.75 1hi9 s SER 272 Ca 0.76 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 1hi9 s SER 272 Cb -0.67 -0.47 -0.03 0.00 0.10 0.00 0.00 66.02 64.94 1hi9 s SER 272 CO 0.41 -0.80 0.92 0.33 0.98 0.00 0.00 173.24 175.08 1hi9 n PHE 273 N -1.78 -2.22 -1.24 5.02 7.35 -1.26 -5.03 117.46 118.30 1hi9 n PHE 273 Ca 0.07 0.87 0.00 0.00 -0.76 0.00 0.00 57.45 57.62 1hi9 n PHE 273 Cb 0.61 -4.55 0.00 0.00 0.35 0.00 0.00 39.48 35.88 1hi9 n PHE 273 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00