#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fql n GLY 6 N 0.00 2.23 0.33 -1.67 0.00 -0.34 -5.02 105.19 100.72 1fql n GLY 6 Ca 0.00 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.63 1fql n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fql n TYR 7 N 0.00 0.30 -2.45 1.61 4.01 -1.26 -3.57 117.16 115.79 1fql n TYR 7 Ca 0.00 -0.84 -0.24 0.00 -0.16 0.00 0.00 57.90 56.66 1fql n TYR 7 Cb 0.00 -0.17 0.09 0.00 -0.31 0.00 0.00 39.34 38.96 1fql n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1fql s GLY 8 N -2.13 1.76 0.51 2.72 0.00 -1.26 -4.66 107.32 104.27 1fql s GLY 8 Ca 0.29 -1.44 0.27 0.00 0.00 0.00 0.00 44.72 43.84 1fql s GLY 8 CO 0.05 -0.94 2.04 1.70 0.00 0.00 0.00 173.10 175.96 1fql h LYS 9 N -0.54 0.00 0.00 2.90 1.63 -1.96 0.65 116.57 119.25 1fql h LYS 9 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1fql h LYS 9 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1fql h LYS 9 CO 0.46 0.13 -1.15 0.72 -3.45 0.00 0.00 179.45 176.16 1fql n HIS 10 N -3.58 0.04 -1.34 1.91 8.25 -1.26 -4.48 115.22 114.76 1fql n HIS 10 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fql n HIS 10 Cb 0.26 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1fql n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1fql n ASN 11 N -1.71 0.00 -3.07 0.41 0.23 -1.11 -4.95 115.26 105.06 1fql n ASN 11 Ca 0.02 -1.26 -0.16 0.00 -0.53 0.00 0.00 54.58 52.65 1fql n ASN 11 Cb 0.39 -0.05 0.13 0.00 -2.08 0.00 0.00 39.78 38.17 1fql n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fql n GLY 12 N 0.00 -2.09 0.31 4.83 0.00 0.23 -1.20 105.19 107.26 1fql n GLY 12 Ca 0.00 -1.56 0.28 0.00 0.00 0.00 0.00 46.02 44.73 1fql n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fql n PRO 13 N -3.03 -0.06 0.19 1.61 -0.02 -1.25 -0.40 135.00 132.04 1fql n PRO 13 Ca 0.09 1.32 0.14 0.00 -2.02 0.00 0.00 63.50 63.03 1fql n PRO 13 Cb 0.32 -2.33 0.59 0.00 -0.02 0.00 0.00 33.50 32.07 1fql n PRO 13 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1fql h GLU 14 N 0.00 0.00 -0.01 -0.52 9.09 -1.92 -2.87 114.58 118.35 1fql h GLU 14 Ca 0.77 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.18 1fql h GLU 14 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.09 1fql h GLU 14 CO -0.75 0.00 -0.70 0.72 0.05 0.00 0.00 179.01 178.33 1fql n HIS 15 N -2.54 0.00 -0.17 2.06 8.25 0.47 -4.62 115.22 118.66 1fql n HIS 15 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1fql n HIS 15 Cb 0.23 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.60 1fql n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1fql h TRP 16 N 0.82 0.87 -0.07 4.41 6.55 -1.49 -2.84 115.95 124.20 1fql h TRP 16 Ca 0.00 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.86 1fql h TRP 16 Cb 0.53 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1fql h TRP 16 CO 0.00 0.58 0.17 1.12 -1.05 0.00 0.00 178.44 179.26 1fql h HIS 17 N 0.92 0.00 -0.34 0.49 2.07 -1.80 -0.36 115.15 116.14 1fql h HIS 17 Ca 0.24 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.62 1fql h HIS 17 Cb -0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.93 1fql h HIS 17 CO 0.00 0.00 -0.37 0.87 -3.07 0.00 0.00 177.93 175.37 1fql h LYS 18 N 0.00 0.80 0.00 5.12 1.57 -1.85 -2.83 116.57 119.38 1fql h LYS 18 Ca 0.03 -0.40 -0.24 0.00 -1.87 0.00 0.00 60.65 58.17 1fql h LYS 18 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1fql h LYS 18 CO -0.00 1.03 -1.90 -0.25 -0.57 0.00 0.00 179.45 177.76 1fql n ASP 19 N -4.05 0.44 -3.65 0.86 8.00 -0.64 -4.69 116.55 112.81 1fql n ASP 19 Ca -0.02 0.20 -0.28 0.00 0.71 0.00 0.00 54.79 55.40 1fql n ASP 19 Cb 0.52 0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 42.17 1fql n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1fql s PHE 20 N -2.78 2.20 0.64 1.24 0.08 -0.24 -4.97 117.98 114.14 1fql s PHE 20 Ca -0.06 -2.71 0.27 0.00 0.12 0.00 0.00 56.93 54.54 1fql s PHE 20 Cb 0.08 -1.79 1.41 0.00 -0.57 0.00 0.00 43.02 42.15 1fql s PHE 20 CO 0.83 -0.71 1.81 -1.35 -0.10 0.00 0.00 175.22 175.70 1fql h PRO 21 N 5.81 0.00 0.00 0.24 0.11 -1.74 0.18 132.00 136.60 1fql h PRO 21 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1fql h PRO 21 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1fql h PRO 21 CO 0.52 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.28 1fql h ILE 22 N 0.00 0.00 -0.89 4.15 6.09 -1.91 -1.79 117.51 123.15 1fql h ILE 22 Ca 0.09 -0.15 0.26 0.00 -1.37 0.00 0.00 64.86 63.69 1fql h ILE 22 Cb 1.04 1.04 -0.04 0.00 0.47 0.00 0.00 36.82 39.33 1fql h ILE 22 CO -0.00 0.00 0.66 0.00 -3.07 0.00 0.00 178.15 175.74 1fql h ALA 23 N 2.02 2.82 -0.72 0.18 0.00 -0.96 0.29 119.26 122.90 1fql h ALA 23 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1fql h ALA 23 Cb 0.16 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1fql h ALA 23 CO 0.00 -1.12 0.23 1.63 0.00 0.00 0.00 179.25 179.99 1fql n LYS 24 N -4.19 3.98 -1.77 0.00 5.02 -0.67 -4.96 118.16 115.57 1fql n LYS 24 Ca 0.18 -3.10 -0.30 0.00 -2.02 0.00 0.00 58.31 53.07 1fql n LYS 24 Cb 0.98 -2.24 0.20 0.00 -0.02 0.00 0.00 35.03 33.95 1fql n LYS 24 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1fql s GLY 25 N -0.96 1.75 0.40 0.72 0.00 0.10 -5.01 107.32 104.32 1fql s GLY 25 Ca 0.55 -1.17 0.22 0.00 0.00 0.00 0.00 44.72 44.32 1fql s GLY 25 CO 0.14 -0.37 1.73 -2.09 0.00 0.00 0.00 173.10 172.52 1fql h GLU 26 N -1.84 0.00 -1.99 2.90 4.22 -1.95 -3.34 114.58 112.58 1fql h GLU 26 Ca -0.44 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.47 1fql h GLU 26 Cb 1.24 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.08 1fql h GLU 26 CO 0.37 0.29 -0.94 2.89 -2.18 0.00 0.00 179.01 179.44 1fql n ARG 27 N -3.36 2.11 -3.04 1.92 1.85 -1.26 -4.66 116.66 110.21 1fql n ARG 27 Ca 0.01 -4.06 -0.31 0.00 -1.00 0.00 0.00 57.85 52.48 1fql n ARG 27 Cb 0.50 -1.93 -0.04 0.00 -1.05 0.00 0.00 32.46 29.94 1fql n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1fql s GLN 28 N -3.01 3.85 0.16 2.89 -1.52 -1.26 -2.34 119.66 118.44 1fql s GLN 28 Ca 0.43 0.50 0.07 0.00 -1.95 0.00 0.00 55.36 54.41 1fql s GLN 28 Cb 0.34 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.64 1fql s GLN 28 CO -0.10 0.08 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.74 1fql s SER 29 N -2.76 2.43 0.93 5.90 0.01 -1.26 -4.64 113.70 114.31 1fql s SER 29 Ca 0.52 -0.89 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 1fql s SER 29 Cb -0.10 -0.12 0.19 0.00 0.21 0.00 0.00 66.02 66.20 1fql s SER 29 CO 0.25 -0.11 1.28 -2.16 0.41 0.00 0.00 173.24 172.91 1fql s PRO 30 N -3.00 0.74 0.18 12.44 0.04 -1.26 -4.59 135.00 139.55 1fql s PRO 30 Ca 0.15 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.65 1fql s PRO 30 Cb -0.04 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1fql s PRO 30 CO 0.05 -2.31 0.06 0.14 0.04 0.00 0.00 177.00 174.99 1fql s VAL 31 N -3.79 0.34 -0.02 -0.36 -7.23 -1.26 0.55 120.40 108.62 1fql s VAL 31 Ca 0.73 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.75 1fql s VAL 31 Cb -0.04 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1fql s VAL 31 CO 0.52 -0.29 0.55 -0.62 -0.31 0.00 0.00 175.10 174.95 1fql s ASP 32 N -3.16 6.91 -0.50 4.85 2.15 -1.26 -3.28 116.67 122.38 1fql s ASP 32 Ca 0.29 1.08 -0.18 0.00 0.43 0.00 0.00 52.55 54.17 1fql s ASP 32 Cb 0.07 -2.34 0.06 0.00 -0.30 0.00 0.00 42.92 40.42 1fql s ASP 32 CO 0.07 0.11 0.54 -0.63 -0.17 0.00 0.00 175.17 175.09 1fql s ILE 33 N -0.16 5.00 -0.58 4.11 1.01 0.62 -4.94 121.20 126.27 1fql s ILE 33 Ca 0.29 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.96 1fql s ILE 33 Cb -0.17 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.09 1fql s ILE 33 CO 0.16 -0.73 1.12 -0.62 0.00 0.00 0.00 174.94 174.86 1fql s ASP 34 N 2.69 6.41 0.61 3.58 -1.08 -1.26 -0.12 116.67 127.50 1fql s ASP 34 Ca 0.11 -0.04 0.37 0.00 -0.52 0.00 0.00 52.55 52.47 1fql s ASP 34 Cb -0.21 -2.52 2.03 0.00 -1.46 0.00 0.00 42.92 40.75 1fql s ASP 34 CO 0.10 -1.42 2.26 0.71 0.52 0.00 0.00 175.17 177.34 1fql h THR 35 N 6.11 0.21 0.00 1.71 1.35 -1.95 -2.61 112.91 117.74 1fql h THR 35 Ca -0.25 -0.14 -0.15 0.00 -0.55 0.00 0.00 66.41 65.32 1fql h THR 35 Cb 1.06 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1fql h THR 35 CO 1.16 0.02 -0.97 0.45 -0.25 0.00 0.00 175.52 175.93 1fql h HIS 36 N 0.00 0.00 -0.10 4.73 3.86 -2.03 -3.32 115.15 118.29 1fql h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1fql h HIS 36 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1fql h HIS 36 CO 0.00 0.60 0.00 0.25 0.86 0.00 0.00 177.93 179.64 1fql n THR 37 N -3.09 0.11 -2.33 2.45 -2.24 -1.01 -4.91 114.28 103.26 1fql n THR 37 Ca -0.04 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 1fql n THR 37 Cb 0.81 1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 70.38 1fql n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fql s ALA 38 N -1.82 3.46 -0.32 6.98 0.00 -1.03 -4.80 121.76 124.24 1fql s ALA 38 Ca 0.29 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 1fql s ALA 38 Cb 0.20 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1fql s ALA 38 CO 0.29 -0.45 0.73 0.21 0.00 0.00 0.00 175.76 176.55 1fql s LYS 39 N 0.18 3.90 0.14 0.00 2.36 0.17 -4.80 119.74 121.69 1fql s LYS 39 Ca 0.56 0.44 -0.31 0.00 -2.55 0.00 0.00 55.97 54.11 1fql s LYS 39 Cb -0.33 -3.74 -0.09 0.00 -1.05 0.00 0.00 37.83 32.61 1fql s LYS 39 CO 0.35 -0.67 1.55 -0.47 1.55 0.00 0.00 175.35 177.66 1fql s TYR 40 N 2.86 2.96 -0.23 4.03 5.04 -1.26 -0.87 117.35 129.88 1fql s TYR 40 Ca 0.30 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 1fql s TYR 40 Cb -0.14 -3.89 0.06 0.00 0.35 0.00 0.00 41.96 38.33 1fql s TYR 40 CO 0.13 -3.33 -0.08 0.34 -1.34 0.00 0.00 175.55 171.27 1fql s ASP 41 N 1.40 3.91 0.32 4.32 3.68 -0.17 -4.86 116.67 125.27 1fql s ASP 41 Ca 0.70 -1.17 0.13 0.00 2.13 0.00 0.00 52.55 54.34 1fql s ASP 41 Cb -0.42 -1.30 0.54 0.00 -1.45 0.00 0.00 42.92 40.30 1fql s ASP 41 CO 0.31 -0.20 1.71 1.55 0.13 0.00 0.00 175.17 178.67 1fql h PRO 42 N 7.91 0.00 0.00 4.34 0.13 -1.93 -3.11 132.00 139.34 1fql h PRO 42 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1fql h PRO 42 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1fql h PRO 42 CO 0.44 0.49 0.00 -1.13 -0.23 0.00 0.00 178.00 177.58 1fql n SER 43 N -3.84 0.00 -4.69 1.44 3.41 -1.26 -4.65 113.62 104.04 1fql n SER 43 Ca -0.01 -0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 57.94 1fql n SER 43 Cb 0.53 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1fql n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fql s LEU 44 N -2.21 4.27 0.79 1.04 1.43 -1.17 -5.02 118.68 117.81 1fql s LEU 44 Ca 0.17 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.89 1fql s LEU 44 Cb 0.09 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1fql s LEU 44 CO 0.17 -0.54 1.10 -0.54 0.23 0.00 0.00 176.35 176.77 1fql s LYS 45 N 2.14 2.19 0.57 1.70 -0.14 -1.24 -4.97 119.74 120.00 1fql s LYS 45 Ca 0.54 0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 55.54 1fql s LYS 45 Cb -0.23 -1.94 -0.05 0.00 -1.68 0.00 0.00 37.83 33.94 1fql s LYS 45 CO 0.21 -1.53 1.04 -1.25 -0.76 0.00 0.00 175.35 173.06 1fql s PRO 46 N -5.23 3.45 0.46 -1.68 0.04 -1.26 -3.17 135.00 127.62 1fql s PRO 46 Ca 0.60 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 1fql s PRO 46 Cb -0.14 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1fql s PRO 46 CO 0.53 -0.70 1.16 -0.51 0.04 0.00 0.00 177.00 177.52 1fql s LEU 47 N -4.38 4.00 -0.27 -3.56 1.43 -1.26 -1.37 118.68 113.26 1fql s LEU 47 Ca 0.63 2.28 0.03 0.00 -1.03 0.00 0.00 54.13 56.03 1fql s LEU 47 Cb -0.15 -4.27 0.07 0.00 0.03 0.00 0.00 46.19 41.87 1fql s LEU 47 CO 0.35 -0.91 -0.06 -0.55 0.23 0.00 0.00 176.35 175.41 1fql s SER 48 N -1.41 4.35 -0.28 2.29 0.15 0.52 -4.84 113.70 114.48 1fql s SER 48 Ca 0.64 -1.50 -0.06 0.00 0.70 0.00 0.00 55.95 55.73 1fql s SER 48 Cb -0.28 -1.45 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 1fql s SER 48 CO 0.34 -0.24 0.06 -0.69 1.20 0.00 0.00 173.24 173.90 1fql s VAL 49 N 1.15 3.82 -0.54 4.45 1.01 -1.26 -1.03 120.40 128.00 1fql s VAL 49 Ca -0.04 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1fql s VAL 49 Cb -0.19 -2.94 0.14 0.00 0.00 0.00 0.00 36.38 33.38 1fql s VAL 49 CO -0.06 0.13 0.31 -0.44 0.00 0.00 0.00 175.10 175.04 1fql s SER 50 N 1.49 4.74 -0.04 3.32 0.01 -0.45 -4.90 113.70 117.86 1fql s SER 50 Ca 0.03 -2.86 0.12 0.00 1.31 0.00 0.00 55.95 54.54 1fql s SER 50 Cb -0.17 -1.73 0.35 0.00 0.21 0.00 0.00 66.02 64.68 1fql s SER 50 CO 0.01 -0.31 1.28 -1.22 0.41 0.00 0.00 173.24 173.42 1fql n TYR 51 N 3.38 0.55 0.29 2.43 4.01 -1.26 -1.69 117.16 124.88 1fql n TYR 51 Ca 0.06 -0.58 0.14 0.00 -0.16 0.00 0.00 57.90 57.36 1fql n TYR 51 Cb 0.35 -0.09 0.88 0.00 -0.31 0.00 0.00 39.34 40.18 1fql n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1fql h ASP 52 N 1.92 0.00 -0.08 7.72 2.03 -1.91 -2.78 116.42 123.33 1fql h ASP 52 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1fql h ASP 52 Cb 0.88 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.36 1fql h ASP 52 CO 0.05 0.00 -0.18 0.00 -1.03 0.00 0.00 179.24 178.07 1fql n GLN 53 N -3.93 1.65 -1.74 4.15 1.13 -1.22 -5.06 117.38 112.35 1fql n GLN 53 Ca -0.03 -2.94 -0.38 0.00 -1.94 0.00 0.00 57.00 51.71 1fql n GLN 53 Cb 0.09 -1.62 0.06 0.00 0.11 0.00 0.00 30.24 28.88 1fql n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fql n ALA 54 N -1.18 1.35 -3.67 -1.58 0.00 -1.05 -4.59 120.51 109.79 1fql n ALA 54 Ca 0.20 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 1fql n ALA 54 Cb 0.74 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 1fql n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fql s THR 55 N -1.34 0.70 0.49 0.00 2.01 -1.26 -4.92 115.64 111.32 1fql s THR 55 Ca 0.78 -1.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 1fql s THR 55 Cb -0.39 -1.53 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 1fql s THR 55 CO 0.44 -0.74 1.04 -0.94 -0.69 0.00 0.00 174.62 173.72 1fql s SER 56 N 1.51 6.32 0.04 3.53 1.04 -1.26 -0.25 113.70 124.63 1fql s SER 56 Ca 0.11 1.91 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 1fql s SER 56 Cb -0.18 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.37 1fql s SER 56 CO -0.22 -0.80 -0.07 0.18 0.98 0.00 0.00 173.24 173.32 1fql n LEU 57 N -1.05 1.22 -4.10 2.42 4.77 0.11 -4.16 117.00 116.21 1fql n LEU 57 Ca 0.09 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1fql n LEU 57 Cb 0.53 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1fql n LEU 57 CO 0.40 -0.65 -0.20 -0.13 -1.33 0.00 0.00 177.39 175.47 1fql s ARG 58 N -2.12 1.02 -0.04 3.23 0.52 -1.22 -0.82 118.95 119.52 1fql s ARG 58 Ca -0.06 -1.37 0.05 0.00 -0.52 0.00 0.00 55.73 53.83 1fql s ARG 58 Cb 0.01 0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.76 1fql s ARG 58 CO 0.08 -0.32 -0.19 -1.50 0.02 0.00 0.00 175.30 173.39 1fql s ILE 59 N -4.03 1.59 0.03 1.52 2.07 0.14 -1.12 121.20 121.39 1fql s ILE 59 Ca 0.23 -0.82 -0.05 0.00 -1.41 0.00 0.00 60.65 58.60 1fql s ILE 59 Cb 0.06 -1.35 -0.01 0.00 0.13 0.00 0.00 42.46 41.29 1fql s ILE 59 CO 0.02 0.45 0.09 -1.48 -1.91 0.00 0.00 174.94 172.11 1fql s LEU 60 N -0.11 1.80 -0.27 8.50 2.34 -0.50 -0.02 118.68 130.43 1fql s LEU 60 Ca -0.01 -0.49 -0.05 0.00 0.06 0.00 0.00 54.13 53.63 1fql s LEU 60 Cb -0.11 0.58 0.01 0.00 -0.56 0.00 0.00 46.19 46.10 1fql s LEU 60 CO 0.02 -0.48 0.04 0.21 -1.06 0.00 0.00 176.35 175.08 1fql s ASN 61 N -1.99 4.86 -0.01 1.48 3.84 -0.54 -0.47 114.94 122.11 1fql s ASN 61 Ca -0.07 -0.63 0.22 0.00 0.21 0.00 0.00 52.86 52.59 1fql s ASN 61 Cb -0.02 -1.83 0.65 0.00 -0.55 0.00 0.00 41.25 39.50 1fql s ASN 61 CO -0.04 -0.14 1.54 -0.46 -2.79 0.00 0.00 177.10 175.22 1fql n ASN 62 N 4.83 4.01 0.00 -4.21 0.23 -0.97 -0.52 115.26 118.62 1fql n ASN 62 Ca -0.16 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 1fql n ASN 62 Cb 0.49 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1fql n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fql n GLY 63 N 1.61 1.01 0.00 4.83 0.00 -1.26 -4.77 105.19 106.61 1fql n GLY 63 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1fql n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fql n HIS 64 N -2.00 0.00 -3.71 1.61 8.25 -1.26 -4.74 115.22 113.37 1fql n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fql n HIS 64 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1fql n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fql s ALA 65 N -1.71 -2.09 0.12 -1.41 0.00 -1.26 -4.91 121.76 110.49 1fql s ALA 65 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 1fql s ALA 65 Cb 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 1fql s ALA 65 CO 0.00 -1.06 0.42 -0.59 0.00 0.00 0.00 175.76 174.53 1fql s PHE 66 N -2.54 3.54 -0.02 0.00 -0.71 -1.26 -2.30 117.98 114.68 1fql s PHE 66 Ca 0.16 0.76 0.02 0.00 -1.04 0.00 0.00 56.93 56.83 1fql s PHE 66 Cb 0.02 -2.15 0.01 0.00 -1.21 0.00 0.00 43.02 39.69 1fql s PHE 66 CO -0.01 0.46 -0.06 -0.80 -1.34 0.00 0.00 175.22 173.47 1fql s ASN 67 N -1.99 0.83 -0.21 1.98 0.01 0.38 -3.93 114.94 112.02 1fql s ASN 67 Ca 0.37 -0.12 -0.07 0.00 -0.71 0.00 0.00 52.86 52.33 1fql s ASN 67 Cb -0.13 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.26 1fql s ASN 67 CO 0.20 0.02 0.05 -0.69 -1.51 0.00 0.00 177.10 175.18 1fql s VAL 68 N 0.31 4.43 -0.00 1.60 1.01 0.42 -1.40 120.40 126.76 1fql s VAL 68 Ca -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1fql s VAL 68 Cb -0.08 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1fql s VAL 68 CO -0.00 0.40 0.11 -1.61 0.00 0.00 0.00 175.10 174.00 1fql s GLU 69 N 1.01 3.16 0.18 2.72 2.02 -0.28 -1.58 118.70 125.93 1fql s GLU 69 Ca 0.04 -0.45 0.11 0.00 0.02 0.00 0.00 54.97 54.68 1fql s GLU 69 Cb -0.14 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 1fql s GLU 69 CO 0.03 0.65 -0.23 -0.06 0.02 0.00 0.00 175.26 175.67 1fql s PHE 70 N -1.24 2.19 -0.32 1.61 0.40 -0.46 0.04 117.98 120.19 1fql s PHE 70 Ca 0.24 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 55.90 1fql s PHE 70 Cb -0.12 -1.10 -0.00 0.00 0.51 0.00 0.00 43.02 42.31 1fql s PHE 70 CO 0.16 0.45 1.46 0.34 0.70 0.00 0.00 175.22 178.33 1fql s ASP 71 N -2.60 6.41 -0.31 1.36 3.68 0.65 -4.83 116.67 121.03 1fql s ASP 71 Ca 0.19 1.18 0.08 0.00 2.13 0.00 0.00 52.55 56.13 1fql s ASP 71 Cb -0.08 -2.54 0.52 0.00 -1.45 0.00 0.00 42.92 39.37 1fql s ASP 71 CO 0.09 -1.31 1.50 -0.90 0.13 0.00 0.00 175.17 174.68 1fql n ASP 72 N 8.50 2.68 0.25 -0.34 5.75 -1.26 -4.64 116.55 127.48 1fql n ASP 72 Ca 0.17 -3.79 0.14 0.00 -0.01 0.00 0.00 54.79 51.30 1fql n ASP 72 Cb 0.47 -0.65 0.51 0.00 -1.03 0.00 0.00 41.12 40.42 1fql n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1fql h SER 73 N 1.05 0.00 -5.41 -1.12 4.64 -1.96 -3.45 113.55 107.29 1fql h SER 73 Ca 0.26 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.43 1fql h SER 73 Cb 1.73 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.69 1fql h SER 73 CO 0.47 0.09 -0.43 -1.10 -0.87 0.00 0.00 176.83 174.98 1fql s GLN 74 N -3.57 1.24 -1.15 4.77 -0.21 -1.26 -5.07 119.66 114.40 1fql s GLN 74 Ca 0.02 -1.41 -0.21 0.00 0.02 0.00 0.00 55.36 53.78 1fql s GLN 74 Cb 0.09 0.34 -0.05 0.00 1.00 0.00 0.00 33.01 34.38 1fql s GLN 74 CO 0.60 -0.44 1.91 -0.25 -2.12 0.00 0.00 175.29 174.99 1fql n ASP 75 N -0.26 3.49 -0.12 5.90 8.00 -1.26 -4.60 116.55 127.69 1fql n ASP 75 Ca -0.02 -2.76 -0.16 0.00 0.71 0.00 0.00 54.79 52.56 1fql n ASP 75 Cb 0.64 -1.61 -0.12 0.00 -0.02 0.00 0.00 41.12 40.01 1fql n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fql n LYS 76 N 7.85 0.65 -3.77 -1.24 5.02 -1.26 -4.84 118.16 120.57 1fql n LYS 76 Ca 0.48 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.59 1fql n LYS 76 Cb 0.44 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 1fql n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fql s ALA 77 N -2.50 1.56 0.28 7.82 0.00 -1.26 -3.46 121.76 124.22 1fql s ALA 77 Ca -0.30 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.20 1fql s ALA 77 Cb 0.08 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 1fql s ALA 77 CO 0.61 -1.52 -0.01 0.14 0.00 0.00 0.00 175.76 174.98 1fql s VAL 78 N 1.60 1.35 -0.06 0.00 -7.23 -0.68 -1.58 120.40 113.80 1fql s VAL 78 Ca 0.06 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1fql s VAL 78 Cb -0.17 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1fql s VAL 78 CO -0.19 -0.20 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.02 1fql s LEU 79 N -3.43 1.83 0.28 1.32 2.96 0.35 -1.34 118.68 120.66 1fql s LEU 79 Ca 0.32 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 1fql s LEU 79 Cb 0.06 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 1fql s LEU 79 CO 0.12 0.11 0.30 -0.54 -1.32 0.00 0.00 176.35 175.02 1fql s LYS 80 N 0.32 1.59 2.34 1.98 1.02 -0.20 -1.25 119.74 125.54 1fql s LYS 80 Ca -0.10 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.14 1fql s LYS 80 Cb -0.14 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1fql s LYS 80 CO 0.04 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.28 1fql n GLY 81 N -0.47 -0.78 7.00 -3.33 0.00 -1.26 -0.36 105.19 105.99 1fql n GLY 81 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1fql n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fql n GLY 82 N 0.00 3.02 0.39 -0.02 0.00 -0.47 -1.14 105.19 106.96 1fql n GLY 82 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1fql n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fql n PRO 83 N 14.00 1.49 -3.27 1.61 -0.04 -1.26 -3.73 135.00 143.80 1fql n PRO 83 Ca 0.00 -0.76 -0.31 0.00 -0.04 0.00 0.00 63.50 62.39 1fql n PRO 83 Cb 0.00 -1.23 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 1fql n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fql s LEU 84 N -1.18 4.08 -0.19 1.53 1.43 -0.29 -5.06 118.68 119.00 1fql s LEU 84 Ca 0.20 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 1fql s LEU 84 Cb 0.10 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.56 1fql s LEU 84 CO 0.15 -0.16 -0.15 -1.81 0.23 0.00 0.00 176.35 174.60 1fql s ASP 85 N -2.57 3.30 0.00 2.29 1.11 -1.26 -4.41 116.67 115.12 1fql s ASP 85 Ca 0.49 -0.78 0.00 0.00 0.18 0.00 0.00 52.55 52.44 1fql s ASP 85 Cb -0.11 -1.38 0.00 0.00 1.07 0.00 0.00 42.92 42.50 1fql s ASP 85 CO 0.23 -0.07 0.00 0.61 1.18 0.00 0.00 175.17 177.12 1fql n GLY 86 N 4.64 0.52 3.74 0.21 0.00 -1.26 -4.96 105.19 108.08 1fql n GLY 86 Ca -0.18 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 1fql n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fql s THR 87 N -1.34 5.10 -0.13 2.61 2.01 -1.26 -4.60 115.64 118.03 1fql s THR 87 Ca 0.00 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1fql s THR 87 Cb 0.00 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 1fql s THR 87 CO 0.00 0.53 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.99 1fql s TYR 88 N -0.26 2.74 -0.03 4.92 1.51 -0.38 -1.78 117.35 124.07 1fql s TYR 88 Ca 0.09 -0.80 -0.16 0.00 -1.01 0.00 0.00 57.07 55.20 1fql s TYR 88 Cb -0.12 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1fql s TYR 88 CO 0.01 -0.30 0.44 1.03 -1.11 0.00 0.00 175.55 175.63 1fql s ARG 89 N 0.41 4.09 -0.07 -0.62 0.52 0.27 -0.50 118.95 123.04 1fql s ARG 89 Ca -0.12 0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 1fql s ARG 89 Cb -0.16 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1fql s ARG 89 CO 0.06 0.52 1.44 -1.17 0.02 0.00 0.00 175.30 176.17 1fql s LEU 90 N -0.56 4.27 -0.15 2.53 2.96 -0.62 -1.45 118.68 125.67 1fql s LEU 90 Ca 0.25 2.01 0.04 0.00 -0.22 0.00 0.00 54.13 56.21 1fql s LEU 90 Cb -0.16 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 1fql s LEU 90 CO 0.13 -0.80 -0.09 0.00 -1.32 0.00 0.00 176.35 174.27 1fql n ILE 91 N 5.17 0.90 -3.63 6.68 3.06 0.00 -4.58 119.36 126.96 1fql n ILE 91 Ca 0.15 -0.40 -0.06 0.00 -2.50 0.00 0.00 62.75 59.94 1fql n ILE 91 Cb 0.44 -0.95 -0.02 0.00 0.54 0.00 0.00 39.64 39.65 1fql n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1fql s GLN 92 N -2.31 0.99 0.01 9.51 1.03 -1.20 -1.35 119.66 126.34 1fql s GLN 92 Ca -0.17 -0.47 0.01 0.00 0.04 0.00 0.00 55.36 54.77 1fql s GLN 92 Cb 0.05 0.38 -0.01 0.00 0.03 0.00 0.00 33.01 33.46 1fql s GLN 92 CO 0.41 -0.44 -0.04 -0.59 -2.54 0.00 0.00 175.29 172.08 1fql s PHE 93 N -3.17 0.37 0.26 9.60 -0.12 -0.61 -0.41 117.98 123.90 1fql s PHE 93 Ca 0.09 -0.28 -0.02 0.00 -0.05 0.00 0.00 56.93 56.67 1fql s PHE 93 Cb -0.01 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 1fql s PHE 93 CO -0.03 -0.07 0.30 -3.38 -0.05 0.00 0.00 175.22 171.98 1fql s HIS 94 N -0.74 1.09 0.03 3.49 -3.43 -0.60 -0.44 115.29 114.69 1fql s HIS 94 Ca -0.06 -1.28 0.04 0.00 -0.80 0.00 0.00 55.06 52.96 1fql s HIS 94 Cb -0.06 -0.34 -0.02 0.00 -1.43 0.00 0.00 32.58 30.73 1fql s HIS 94 CO -0.00 -0.85 -0.11 1.41 -2.00 0.00 0.00 174.74 173.19 1fql s MET 95 N -3.78 0.77 -0.11 -0.38 1.75 -1.25 -0.76 119.30 115.53 1fql s MET 95 Ca 0.34 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 54.16 1fql s MET 95 Cb 0.03 -0.72 -0.02 0.00 2.84 0.00 0.00 34.83 36.96 1fql s MET 95 CO 0.16 0.18 -0.12 -1.01 -0.65 0.00 0.00 175.02 173.58 1fql s HIS 96 N -0.77 2.82 0.08 4.11 3.76 -0.36 -4.67 115.29 120.27 1fql s HIS 96 Ca -0.00 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 1fql s HIS 96 Cb -0.07 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 1fql s HIS 96 CO 0.01 -0.08 -0.09 0.08 -0.85 0.00 0.00 174.74 173.80 1fql s VAL 97 N 0.08 0.84 0.51 -0.90 1.01 -1.25 -0.94 120.40 119.75 1fql s VAL 97 Ca -0.05 -1.53 0.08 0.00 0.00 0.00 0.00 61.98 60.48 1fql s VAL 97 Cb -0.14 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1fql s VAL 97 CO 0.04 -0.53 0.58 -0.83 0.00 0.00 0.00 175.10 174.36 1fql s GLY 98 N -2.28 2.00 0.21 4.51 0.00 -1.09 -0.21 107.32 110.44 1fql s GLY 98 Ca 0.02 -1.81 0.22 0.00 0.00 0.00 0.00 44.72 43.15 1fql s GLY 98 CO -0.00 -1.72 1.07 1.48 0.00 0.00 0.00 173.10 173.93 1fql h SER 99 N 0.55 0.00 -4.13 1.64 4.64 -1.90 -3.40 113.55 110.96 1fql h SER 99 Ca -0.35 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.57 1fql h SER 99 Cb 1.29 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 1fql h SER 99 CO 0.48 0.10 -0.75 -0.76 -0.87 0.00 0.00 176.83 175.03 1fql s LEU 100 N -5.52 2.40 0.64 5.97 1.43 -1.26 -5.03 118.68 117.30 1fql s LEU 100 Ca -0.00 -0.80 0.41 0.00 -1.03 0.00 0.00 54.13 52.71 1fql s LEU 100 Cb 0.09 -0.50 2.23 0.00 0.03 0.00 0.00 46.19 48.03 1fql s LEU 100 CO 0.78 -0.16 2.32 0.44 0.23 0.00 0.00 176.35 179.95 1fql h ASP 101 N 3.56 0.00 -0.22 2.29 3.32 -1.92 -1.68 116.42 121.77 1fql h ASP 101 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1fql h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1fql h ASP 101 CO 0.50 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.64 1fql n GLY 102 N -0.99 0.11 3.45 2.75 0.00 -1.26 -3.47 105.19 105.77 1fql n GLY 102 Ca -0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1fql n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fql s GLN 103 N -1.71 1.28 0.00 1.61 -2.07 -0.63 -4.66 119.66 113.48 1fql s GLN 103 Ca 0.21 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 1fql s GLN 103 Cb 0.11 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 1fql s GLN 103 CO 0.15 -0.53 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 1fql n GLY 104 N -0.30 3.89 3.82 2.60 0.00 -1.06 -3.25 105.19 110.89 1fql n GLY 104 Ca -0.11 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 1fql n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fql s SER 105 N 0.00 5.60 -0.24 1.61 1.04 -0.83 -3.80 113.70 117.08 1fql s SER 105 Ca 0.00 1.67 -0.18 0.00 0.48 0.00 0.00 55.95 57.91 1fql s SER 105 Cb 0.00 -2.51 -0.16 0.00 0.10 0.00 0.00 66.02 63.45 1fql s SER 105 CO 0.00 -1.30 -0.02 -0.62 0.98 0.00 0.00 173.24 172.28 1fql n GLU 106 N -2.71 0.58 -2.76 4.02 1.02 -1.26 -4.82 120.64 114.71 1fql n GLU 106 Ca 0.08 0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 57.32 1fql n GLU 106 Cb 0.53 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 1fql n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1fql s HIS 107 N -2.42 3.42 0.12 -0.32 3.76 -1.26 -4.39 115.29 114.19 1fql s HIS 107 Ca -0.33 1.67 0.09 0.00 -0.15 0.00 0.00 55.06 56.34 1fql s HIS 107 Cb 0.10 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1fql s HIS 107 CO 0.55 -0.10 -0.21 0.95 -0.85 0.00 0.00 174.74 175.08 1fql s THR 108 N -1.91 1.81 -0.28 1.30 -4.23 -1.21 -4.70 115.64 106.43 1fql s THR 108 Ca 0.58 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 59.41 1fql s THR 108 Cb -0.14 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1fql s THR 108 CO 0.19 -0.09 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.48 1fql s VAL 109 N -1.32 3.12 -1.52 2.29 1.01 -0.52 -0.28 120.40 123.18 1fql s VAL 109 Ca 0.09 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1fql s VAL 109 Cb -0.09 -2.68 0.08 0.00 0.00 0.00 0.00 36.38 33.69 1fql s VAL 109 CO 0.05 0.05 1.00 0.47 0.00 0.00 0.00 175.10 176.67 1fql n ASP 110 N 4.69 -4.90 0.00 3.32 8.00 0.82 -0.14 116.55 128.34 1fql n ASP 110 Ca -0.15 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1fql n ASP 110 Cb 0.46 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 1fql n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fql n LYS 111 N -4.71 0.00 -2.61 -1.24 4.76 -1.26 -4.98 118.16 108.11 1fql n LYS 111 Ca 0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1fql n LYS 111 Cb 0.53 -2.23 -0.03 0.00 -1.84 0.00 0.00 35.03 31.46 1fql n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1fql s LYS 112 N -0.05 4.52 -0.03 1.97 2.20 0.80 -5.00 119.74 124.15 1fql s LYS 112 Ca 0.00 1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 57.13 1fql s LYS 112 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1fql s LYS 112 CO 0.00 -0.11 0.14 0.15 -0.36 0.00 0.00 175.35 175.18 1fql s LYS 113 N 0.94 3.33 0.48 4.03 1.02 -1.26 -1.44 119.74 126.85 1fql s LYS 113 Ca 0.54 -0.33 0.08 0.00 0.02 0.00 0.00 55.97 56.28 1fql s LYS 113 Cb -0.24 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1fql s LYS 113 CO 0.29 0.69 0.53 0.71 -0.92 0.00 0.00 175.35 176.65 1fql s TYR 114 N -1.22 2.17 0.37 3.18 2.02 -1.26 -4.63 117.35 117.97 1fql s TYR 114 Ca 0.23 -0.60 0.12 0.00 -0.37 0.00 0.00 57.07 56.45 1fql s TYR 114 Cb -0.12 -2.17 0.73 0.00 -0.40 0.00 0.00 41.96 39.99 1fql s TYR 114 CO 0.14 -0.53 1.84 0.00 -1.57 0.00 0.00 175.55 175.43 1fql h ALA 115 N 0.67 1.40 -2.85 3.71 0.00 -1.41 -2.14 119.26 118.63 1fql h ALA 115 Ca -0.37 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.29 1fql h ALA 115 Cb 1.28 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1fql h ALA 115 CO 0.50 0.45 0.28 0.00 0.00 0.00 0.00 179.25 180.48 1fql s ALA 116 N -4.25 -1.41 -0.04 0.00 0.00 -1.21 -2.68 121.76 112.16 1fql s ALA 116 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1fql s ALA 116 Cb 0.14 0.80 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1fql s ALA 116 CO 0.73 -0.96 0.07 -2.00 0.00 0.00 0.00 175.76 173.60 1fql s GLU 117 N -3.74 -0.04 -0.04 0.00 2.12 -0.12 -1.30 118.70 115.58 1fql s GLU 117 Ca 0.09 0.35 -0.17 0.00 0.36 0.00 0.00 54.97 55.60 1fql s GLU 117 Cb -0.04 -0.38 -0.05 0.00 0.26 0.00 0.00 34.13 33.92 1fql s GLU 117 CO 0.01 -0.27 0.48 -1.17 -0.54 0.00 0.00 175.26 173.77 1fql s LEU 118 N 1.82 4.39 -0.16 2.70 2.96 0.24 -1.23 118.68 129.39 1fql s LEU 118 Ca -0.00 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 1fql s LEU 118 Cb -0.12 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.89 1fql s LEU 118 CO -0.04 0.15 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.00 1fql s HIS 119 N -0.22 2.32 -0.36 5.38 3.76 0.06 -1.63 115.29 124.61 1fql s HIS 119 Ca 0.26 -1.36 -0.11 0.00 -0.15 0.00 0.00 55.06 53.71 1fql s HIS 119 Cb -0.16 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.88 1fql s HIS 119 CO 0.13 -0.71 0.19 -0.51 -0.85 0.00 0.00 174.74 173.00 1fql s LEU 120 N 1.44 4.57 -0.10 0.89 1.43 -0.62 -1.56 118.68 124.72 1fql s LEU 120 Ca 0.04 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.09 1fql s LEU 120 Cb -0.13 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1fql s LEU 120 CO -0.11 -0.34 0.50 -0.69 0.23 0.00 0.00 176.35 175.95 1fql s VAL 121 N 1.57 5.16 0.07 -1.59 1.01 0.46 -1.71 120.40 125.37 1fql s VAL 121 Ca 0.03 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.08 1fql s VAL 121 Cb -0.19 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1fql s VAL 121 CO 0.07 0.33 -0.18 -1.00 0.00 0.00 0.00 175.10 174.32 1fql s HIS 122 N 0.55 1.56 0.02 5.22 3.76 0.21 -0.82 115.29 125.78 1fql s HIS 122 Ca 0.27 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.85 1fql s HIS 122 Cb -0.16 -0.89 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 1fql s HIS 122 CO 0.11 0.12 -0.24 1.67 -0.85 0.00 0.00 174.74 175.55 1fql s TRP 123 N -1.06 2.11 -0.25 1.40 1.48 -0.53 -0.95 118.94 121.14 1fql s TRP 123 Ca 0.04 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.40 1fql s TRP 123 Cb -0.09 -1.31 -0.03 0.00 -1.16 0.00 0.00 33.47 30.88 1fql s TRP 123 CO 0.03 0.04 1.87 1.21 -4.06 0.00 0.00 176.95 176.04 1fql s ASN 124 N -0.90 5.95 0.59 -2.66 3.84 0.93 -0.56 114.94 122.12 1fql s ASN 124 Ca 0.10 1.63 0.29 0.00 0.21 0.00 0.00 52.86 55.08 1fql s ASN 124 Cb -0.09 -2.52 1.64 0.00 -0.55 0.00 0.00 41.25 39.73 1fql s ASN 124 CO 0.01 -1.61 2.09 0.71 -2.79 0.00 0.00 177.10 175.50 1fql h THR 125 N 6.64 0.46 0.00 -5.21 1.35 -1.69 -1.43 112.91 113.03 1fql h THR 125 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1fql h THR 125 Cb 1.19 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1fql h THR 125 CO 1.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.56 1fql n LYS 127 N -3.80 0.08 0.00 4.72 2.85 -1.26 -1.44 118.16 119.31 1fql n LYS 127 Ca 0.02 0.53 0.12 0.00 -1.05 0.00 0.00 58.31 57.93 1fql n LYS 127 Cb 0.35 -1.74 0.15 0.00 -0.65 0.00 0.00 35.03 33.14 1fql n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1fql n TYR 128 N -1.91 0.00 0.00 5.58 4.01 -0.54 -5.01 117.16 119.29 1fql n TYR 128 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1fql n TYR 128 Cb 0.06 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1fql n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fql n GLY 129 N 1.34 1.60 3.28 2.72 0.00 -0.52 -4.54 105.19 109.07 1fql n GLY 129 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1fql n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fql s ASP 130 N 0.00 0.13 0.23 1.61 1.47 -1.26 -5.05 116.67 113.80 1fql s ASP 130 Ca 0.00 -1.11 -0.07 0.00 1.18 0.00 0.00 52.55 52.55 1fql s ASP 130 Cb 0.00 0.40 0.26 0.00 -0.34 0.00 0.00 42.92 43.24 1fql s ASP 130 CO 0.00 -0.86 1.88 0.15 0.68 0.00 0.00 175.17 177.02 1fql h PHE 131 N 2.62 1.04 -0.50 2.11 3.57 -1.95 -2.65 116.94 121.18 1fql h PHE 131 Ca -0.33 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.22 1fql h PHE 131 Cb 1.23 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1fql h PHE 131 CO 0.40 0.60 0.33 0.78 -2.23 0.00 0.00 178.31 178.19 1fql h GLY 132 N 1.08 0.66 1.52 2.40 0.00 -1.97 -2.18 103.07 104.58 1fql h GLY 132 Ca 0.34 -0.24 -0.28 0.00 0.00 0.00 0.00 47.33 47.16 1fql h GLY 132 CO -0.11 0.22 -1.21 0.50 0.00 0.00 0.00 176.54 175.93 1fql h LYS 133 N 0.60 0.38 -0.74 4.80 1.79 -1.77 -3.31 116.57 118.33 1fql h LYS 133 Ca 0.19 -0.57 0.04 0.00 -2.18 0.00 0.00 60.65 58.14 1fql h LYS 133 Cb 0.04 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 1fql h LYS 133 CO -0.05 1.24 0.49 0.00 -1.08 0.00 0.00 179.45 180.05 1fql h ALA 134 N 0.53 1.58 0.00 3.86 0.00 -1.06 -2.02 119.26 122.14 1fql h ALA 134 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fql h ALA 134 Cb 1.90 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1fql h ALA 134 CO 0.21 0.34 0.00 1.33 0.00 0.00 0.00 179.25 181.13 1fql n VAL 135 N -4.46 0.00 0.16 0.00 0.24 -0.97 -1.49 118.33 111.81 1fql n VAL 135 Ca 0.10 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.42 1fql n VAL 135 Cb 0.13 -0.34 0.03 0.00 -1.47 0.00 0.00 33.84 32.19 1fql n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fql n GLN 136 N -0.05 0.32 -5.00 7.34 6.02 -0.76 -4.95 117.38 120.29 1fql n GLN 136 Ca 0.00 -0.98 -0.30 0.00 -0.01 0.00 0.00 57.00 55.70 1fql n GLN 136 Cb 0.16 -1.10 -0.15 0.00 1.02 0.00 0.00 30.24 30.17 1fql n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1fql s GLN 137 N -0.53 1.86 0.64 -1.09 -1.52 -0.55 -5.02 119.66 113.45 1fql s GLN 137 Ca 0.07 -1.07 0.40 0.00 -1.95 0.00 0.00 55.36 52.81 1fql s GLN 137 Cb 0.05 -1.99 2.21 0.00 -0.22 0.00 0.00 33.01 33.05 1fql s GLN 137 CO 0.07 0.52 2.31 -1.00 -0.25 0.00 0.00 175.29 176.94 1fql h PRO 138 N 4.95 0.00 -0.28 2.91 0.13 -1.86 -1.67 132.00 136.19 1fql h PRO 138 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 1fql h PRO 138 Cb 1.14 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.09 1fql h PRO 138 CO 0.44 0.01 -0.64 -0.40 -0.23 0.00 0.00 178.00 177.17 1fql n ASP 139 N -3.25 2.83 0.09 1.44 5.75 -1.26 -4.26 116.55 117.90 1fql n ASP 139 Ca -0.03 -3.75 -0.06 0.00 -0.01 0.00 0.00 54.79 50.94 1fql n ASP 139 Cb 0.10 -0.45 0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1fql n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1fql h GLY 140 N 1.45 0.12 -2.67 6.12 0.00 -1.09 -3.43 103.07 103.57 1fql h GLY 140 Ca 0.12 -0.21 -0.55 0.00 0.00 0.00 0.00 47.33 46.70 1fql h GLY 140 CO 0.28 0.18 -0.76 1.08 0.00 0.00 0.00 176.54 177.32 1fql s LEU 141 N -7.35 2.53 -0.06 3.11 1.43 -0.44 -0.05 118.68 117.85 1fql s LEU 141 Ca -0.02 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 52.10 1fql s LEU 141 Cb 0.11 -0.92 0.03 0.00 0.03 0.00 0.00 46.19 45.43 1fql s LEU 141 CO 0.81 -0.03 0.02 0.00 0.23 0.00 0.00 176.35 177.38 1fql s ALA 142 N -2.44 0.50 -0.14 4.21 0.00 -0.13 -1.50 121.76 122.27 1fql s ALA 142 Ca 0.23 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1fql s ALA 142 Cb -0.04 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1fql s ALA 142 CO 0.10 -0.41 -0.20 0.08 0.00 0.00 0.00 175.76 175.33 1fql s VAL 143 N 1.90 2.29 -0.23 0.00 1.01 -0.83 -0.62 120.40 123.91 1fql s VAL 143 Ca 0.03 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1fql s VAL 143 Cb -0.12 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1fql s VAL 143 CO -0.04 0.54 0.35 -0.22 0.00 0.00 0.00 175.10 175.73 1fql s LEU 144 N 0.69 4.11 -0.13 3.92 2.96 -0.69 -1.09 118.68 128.44 1fql s LEU 144 Ca -0.09 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1fql s LEU 144 Cb -0.16 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 1fql s LEU 144 CO 0.01 -0.09 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.05 1fql s GLY 145 N 1.26 1.66 -0.09 7.98 0.00 0.59 -1.59 107.32 117.13 1fql s GLY 145 Ca 0.16 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.04 1fql s GLY 145 CO 0.08 -0.24 -0.15 -0.42 0.00 0.00 0.00 173.10 172.37 1fql s ILE 146 N 0.09 1.42 0.35 0.90 1.01 -0.64 -1.38 121.20 122.95 1fql s ILE 146 Ca -0.02 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 1fql s ILE 146 Cb -0.14 -1.29 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 1fql s ILE 146 CO 0.03 0.42 0.78 -0.36 0.00 0.00 0.00 174.94 175.81 1fql s PHE 147 N 0.81 3.37 -0.03 3.97 0.08 -1.26 -0.59 117.98 124.33 1fql s PHE 147 Ca -0.11 1.26 0.06 0.00 0.12 0.00 0.00 56.93 58.27 1fql s PHE 147 Cb -0.16 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 1fql s PHE 147 CO 0.02 0.03 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.45 1fql s LEU 148 N -3.13 2.02 0.13 -0.37 1.02 -0.42 -1.25 118.68 116.68 1fql s LEU 148 Ca 0.55 -0.39 0.05 0.00 0.02 0.00 0.00 54.13 54.36 1fql s LEU 148 Cb -0.10 -1.10 -0.04 0.00 0.02 0.00 0.00 46.19 44.97 1fql s LEU 148 CO 0.18 0.23 -0.13 -1.59 0.02 0.00 0.00 176.35 175.07 1fql s LYS 149 N -0.33 1.04 0.01 1.70 -2.85 -0.35 -1.91 119.74 117.04 1fql s LYS 149 Ca 0.04 -1.31 -0.28 0.00 -1.00 0.00 0.00 55.97 53.42 1fql s LYS 149 Cb -0.10 -0.81 -0.04 0.00 -2.06 0.00 0.00 37.83 34.82 1fql s LYS 149 CO 0.00 0.14 0.88 0.08 0.10 0.00 0.00 175.35 176.55 1fql s VAL 150 N -2.54 4.84 0.00 1.79 1.01 -1.26 -1.44 120.40 122.81 1fql s VAL 150 Ca 0.12 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1fql s VAL 150 Cb -0.02 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1fql s VAL 150 CO 0.02 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1fql n GLY 151 N 2.79 1.48 3.87 4.51 0.00 0.79 -4.84 105.19 113.80 1fql n GLY 151 Ca 0.02 0.30 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1fql n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fql s SER 152 N 2.00 6.35 0.38 1.61 1.04 -1.26 -3.70 113.70 120.12 1fql s SER 152 Ca 0.00 1.32 -0.26 0.00 0.48 0.00 0.00 55.95 57.49 1fql s SER 152 Cb 0.00 -2.42 -0.09 0.00 0.10 0.00 0.00 66.02 63.61 1fql s SER 152 CO 0.00 -0.70 1.24 0.00 0.98 0.00 0.00 173.24 174.75 1fql s ALA 153 N -2.89 3.27 -0.53 5.32 0.00 -1.26 -2.66 121.76 123.00 1fql s ALA 153 Ca 0.54 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 53.49 1fql s ALA 153 Cb -0.11 -3.43 0.13 0.00 0.00 0.00 0.00 23.12 19.71 1fql s ALA 153 CO 0.45 -0.64 0.44 0.21 0.00 0.00 0.00 175.76 176.23 1fql s LYS 154 N -2.13 2.77 0.37 0.00 2.47 -1.24 -4.84 119.74 117.14 1fql s LYS 154 Ca 0.55 -1.83 0.11 0.00 -1.56 0.00 0.00 55.97 53.24 1fql s LYS 154 Cb -0.35 -4.11 0.89 0.00 -1.46 0.00 0.00 37.83 32.81 1fql s LYS 154 CO 0.45 -1.26 1.87 -1.00 0.16 0.00 0.00 175.35 175.58 1fql h PRO 155 N 8.52 0.59 0.00 4.03 0.13 -1.92 -1.18 132.00 142.17 1fql h PRO 155 Ca -0.21 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1fql h PRO 155 Cb 1.08 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1fql h PRO 155 CO 0.92 0.39 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 1fql n GLY 156 N -1.46 -0.68 0.00 1.56 0.00 -1.26 -1.49 105.19 101.86 1fql n GLY 156 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1fql n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fql n LEU 157 N -1.50 0.49 -0.20 0.99 7.94 -0.45 -4.56 117.00 119.71 1fql n LEU 157 Ca 0.01 -0.38 0.01 0.00 -1.11 0.00 0.00 56.01 54.54 1fql n LEU 157 Cb 0.06 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.27 1fql n LEU 157 CO 0.05 0.12 1.23 -0.61 -1.11 0.00 0.00 177.39 177.07 1fql h GLN 158 N 0.00 0.95 -0.72 1.96 5.75 -1.18 -1.09 115.11 120.78 1fql h GLN 158 Ca 0.00 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1fql h GLN 158 Cb 0.40 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 1fql h GLN 158 CO 0.00 0.64 0.47 0.87 -2.65 0.00 0.00 178.83 178.16 1fql h LYS 159 N 0.98 0.76 -0.02 1.69 1.57 -1.81 0.12 116.57 119.87 1fql h LYS 159 Ca 0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1fql h LYS 159 Cb -0.10 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.04 1fql h LYS 159 CO -0.06 0.50 -0.05 0.28 -0.57 0.00 0.00 179.45 179.56 1fql h VAL 160 N 0.79 1.47 -0.93 0.50 2.07 -1.56 -3.21 116.25 115.38 1fql h VAL 160 Ca 0.30 -1.46 0.16 0.00 0.82 0.00 0.00 66.70 66.52 1fql h VAL 160 Cb 0.20 2.41 -0.10 0.00 -1.52 0.00 0.00 31.29 32.28 1fql h VAL 160 CO -0.10 0.39 0.53 0.58 0.02 0.00 0.00 177.57 178.99 1fql h VAL 161 N -0.52 0.74 -0.45 2.57 2.07 -0.27 -1.70 116.25 118.68 1fql h VAL 161 Ca -0.00 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1fql h VAL 161 Cb 0.66 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1fql h VAL 161 CO 0.01 0.13 0.07 0.44 0.02 0.00 0.00 177.57 178.24 1fql h ASP 162 N 0.72 0.66 0.41 0.57 3.32 -0.85 -3.16 116.42 118.08 1fql h ASP 162 Ca 0.52 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1fql h ASP 162 Cb 0.74 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1fql h ASP 162 CO -0.36 0.68 -0.29 0.55 -1.72 0.00 0.00 179.24 178.10 1fql n VAL 163 N -4.27 0.00 0.27 -1.35 3.14 -0.66 -4.23 118.33 111.22 1fql n VAL 163 Ca 0.03 -0.06 0.18 0.00 -2.96 0.00 0.00 64.34 61.53 1fql n VAL 163 Cb 0.24 0.18 0.91 0.00 -1.06 0.00 0.00 33.84 34.10 1fql n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1fql h LEU 164 N 0.58 0.00 -1.12 6.55 3.38 -1.47 -1.55 115.31 121.68 1fql h LEU 164 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1fql h LEU 164 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1fql h LEU 164 CO 0.00 0.00 0.29 0.44 0.09 0.00 0.00 178.44 179.26 1fql h ASP 165 N 0.00 0.82 0.27 -0.43 3.45 -1.82 -2.88 116.42 115.83 1fql h ASP 165 Ca 0.05 -0.09 -0.10 0.00 0.43 0.00 0.00 57.03 57.32 1fql h ASP 165 Cb 0.49 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1fql h ASP 165 CO -0.00 0.71 -0.40 0.28 -1.57 0.00 0.00 179.24 178.26 1fql h SER 166 N 0.90 0.19 -0.61 6.45 0.02 -1.60 -3.28 113.55 115.62 1fql h SER 166 Ca 0.22 -0.08 -0.41 0.00 -0.84 0.00 0.00 61.79 60.68 1fql h SER 166 Cb 0.12 -0.05 -0.27 0.00 0.14 0.00 0.00 62.40 62.35 1fql h SER 166 CO -0.03 0.58 -0.24 2.30 -1.14 0.00 0.00 176.83 178.30 1fql n ILE 167 N -4.04 2.72 -0.27 3.27 -5.35 -1.10 -4.69 119.36 109.90 1fql n ILE 167 Ca -0.01 -3.42 0.02 0.00 -0.27 0.00 0.00 62.75 59.06 1fql n ILE 167 Cb 0.46 -0.80 0.15 0.00 -1.74 0.00 0.00 39.64 37.72 1fql n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1fql h LYS 168 N 1.66 0.70 -6.20 6.28 3.64 -1.59 -3.41 116.57 117.65 1fql h LYS 168 Ca 0.34 -0.04 -0.52 0.00 -1.27 0.00 0.00 60.65 59.16 1fql h LYS 168 Cb 1.42 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1fql h LYS 168 CO 0.73 0.46 -0.55 0.95 -2.27 0.00 0.00 179.45 178.77 1fql s THR 169 N -6.04 4.18 0.17 1.00 -4.23 -1.26 -0.57 115.64 108.89 1fql s THR 169 Ca -0.12 -1.53 -0.33 0.00 -1.18 0.00 0.00 61.69 58.53 1fql s THR 169 Cb 0.19 -3.26 -0.13 0.00 1.34 0.00 0.00 72.50 70.64 1fql s THR 169 CO 0.77 -0.35 1.69 1.17 -0.54 0.00 0.00 174.62 177.36 1fql n LYS 170 N -1.11 2.54 0.00 3.99 4.81 -0.25 -2.37 118.16 125.77 1fql n LYS 170 Ca -0.07 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1fql n LYS 170 Cb 0.58 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1fql n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fql n GLY 171 N 3.81 2.34 3.81 3.14 0.00 0.32 -4.52 105.19 114.09 1fql n GLY 171 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1fql n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fql s LYS 172 N -0.98 3.77 0.04 1.61 -0.14 -1.00 -4.88 119.74 118.17 1fql s LYS 172 Ca 0.00 1.25 -0.10 0.00 -1.36 0.00 0.00 55.97 55.76 1fql s LYS 172 Cb 0.00 -2.10 0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1fql s LYS 172 CO 0.00 -0.44 0.20 -1.54 -0.76 0.00 0.00 175.35 172.81 1fql s SER 173 N -2.30 0.02 -0.06 2.83 1.04 -1.26 -1.47 113.70 112.50 1fql s SER 173 Ca 0.65 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.60 1fql s SER 173 Cb -0.15 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.29 1fql s SER 173 CO 0.24 -0.56 0.32 0.00 0.98 0.00 0.00 173.24 174.22 1fql s ALA 174 N -2.54 -0.79 0.38 5.32 0.00 0.97 -4.93 121.76 120.17 1fql s ALA 174 Ca -0.05 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.20 1fql s ALA 174 Cb -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 23.12 22.81 1fql s ALA 174 CO -0.04 -0.22 1.50 -3.47 0.00 0.00 0.00 175.76 173.53 1fql n ASP 175 N 1.96 3.83 -2.97 0.00 -0.08 -1.26 -0.69 116.55 117.34 1fql n ASP 175 Ca -0.18 1.23 -0.15 0.00 -1.51 0.00 0.00 54.79 54.17 1fql n ASP 175 Cb 0.57 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1fql n ASP 175 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1fql n PHE 176 N 0.50 -1.65 -2.59 -0.67 7.35 0.00 -4.74 117.46 115.67 1fql n PHE 176 Ca 0.01 -2.79 -0.25 0.00 -0.76 0.00 0.00 57.45 53.67 1fql n PHE 176 Cb 0.39 0.60 0.03 0.00 0.35 0.00 0.00 39.48 40.84 1fql n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1fql s THR 177 N -0.58 3.61 -1.68 -2.13 -4.23 -1.25 -3.54 115.64 105.84 1fql s THR 177 Ca 0.33 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1fql s THR 177 Cb 0.25 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1fql s THR 177 CO -0.14 -0.36 0.00 0.59 -0.54 0.00 0.00 174.62 174.17 1fql n ASN 178 N -2.42 -5.60 -4.68 3.99 4.13 -1.26 -4.96 115.26 104.46 1fql n ASN 178 Ca 0.04 0.03 -0.39 0.00 1.68 0.00 0.00 54.58 55.94 1fql n ASN 178 Cb 0.58 -4.68 -0.07 0.00 -1.54 0.00 0.00 39.78 34.07 1fql n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1fql s PHE 179 N -2.97 3.40 -0.41 3.10 5.36 -1.26 -5.04 117.98 120.17 1fql s PHE 179 Ca 0.00 0.80 -0.16 0.00 -0.96 0.00 0.00 56.93 56.61 1fql s PHE 179 Cb 0.00 -2.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.05 1fql s PHE 179 CO 0.00 -0.04 0.38 0.34 -1.46 0.00 0.00 175.22 174.44 1fql s ASP 180 N 1.04 6.17 0.26 6.13 -1.08 -1.26 -4.48 116.67 123.45 1fql s ASP 180 Ca 0.25 -0.68 0.23 0.00 -0.52 0.00 0.00 52.55 51.83 1fql s ASP 180 Cb -0.15 -2.20 0.99 0.00 -1.46 0.00 0.00 42.92 40.10 1fql s ASP 180 CO 0.10 -0.51 1.70 -0.81 0.52 0.00 0.00 175.17 176.17 1fql n PRO 181 N 5.44 0.18 0.29 4.34 -0.04 -1.26 -2.35 135.00 141.61 1fql n PRO 181 Ca -0.09 0.44 0.15 0.00 -0.04 0.00 0.00 63.50 63.97 1fql n PRO 181 Cb 0.48 -1.87 0.89 0.00 -0.04 0.00 0.00 33.50 32.95 1fql n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fql h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -0.86 114.38 115.21 1fql h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fql h ARG 182 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1fql h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 1fql n GLY 183 N -1.17 -0.71 0.24 0.04 0.00 -0.99 -2.58 105.19 100.01 1fql n GLY 183 Ca -0.03 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1fql n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fql n LEU 184 N -1.03 1.50 -4.83 0.99 4.77 -0.33 -4.23 117.00 113.84 1fql n LEU 184 Ca 0.16 -0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 55.16 1fql n LEU 184 Cb 0.08 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1fql n LEU 184 CO 0.13 0.31 0.34 -0.76 -1.33 0.00 0.00 177.39 176.08 1fql s LEU 185 N -2.75 4.31 0.95 2.23 1.43 -1.07 -4.95 118.68 118.83 1fql s LEU 185 Ca 0.13 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.35 1fql s LEU 185 Cb 0.17 -3.51 0.17 0.00 0.03 0.00 0.00 46.19 43.05 1fql s LEU 185 CO 0.73 0.04 1.22 -2.16 0.23 0.00 0.00 176.35 176.40 1fql s PRO 186 N -2.07 0.82 0.08 1.29 0.04 -1.26 -4.98 135.00 128.92 1fql s PRO 186 Ca 0.42 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.20 1fql s PRO 186 Cb -0.15 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1fql s PRO 186 CO 0.20 -2.35 1.54 0.93 0.04 0.00 0.00 177.00 177.36 1fql h GLU 187 N -1.60 0.41 -6.23 4.56 5.08 -1.91 -3.44 114.58 111.45 1fql h GLU 187 Ca -0.46 -0.12 -0.57 0.00 -1.00 0.00 0.00 59.36 57.20 1fql h GLU 187 Cb 1.29 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1fql h GLU 187 CO 0.50 0.56 -0.16 0.45 -1.00 0.00 0.00 179.01 179.36 1fql s SER 188 N -5.87 6.73 -0.25 1.42 0.15 -1.26 -5.01 113.70 109.61 1fql s SER 188 Ca -0.14 0.94 0.12 0.00 0.70 0.00 0.00 55.95 57.57 1fql s SER 188 Cb 0.07 -2.23 0.54 0.00 -1.71 0.00 0.00 66.02 62.69 1fql s SER 188 CO 0.74 0.13 1.49 0.18 1.20 0.00 0.00 173.24 176.97 1fql n LEU 189 N 0.80 4.26 -4.77 3.45 4.77 -1.26 -4.71 117.00 119.55 1fql n LEU 189 Ca -0.06 -3.38 -0.39 0.00 -0.03 0.00 0.00 56.01 52.14 1fql n LEU 189 Cb 0.52 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1fql n LEU 189 CO 0.43 0.95 0.86 -1.81 -1.33 0.00 0.00 177.39 176.49 1fql s ASP 190 N -2.12 6.65 0.24 -1.43 1.01 -1.26 -4.76 116.67 115.00 1fql s ASP 190 Ca 0.45 2.41 -0.11 0.00 0.71 0.00 0.00 52.55 56.01 1fql s ASP 190 Cb 0.38 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1fql s ASP 190 CO 0.05 -0.59 0.41 -0.72 0.21 0.00 0.00 175.17 174.53 1fql s TYR 191 N -1.33 0.51 0.16 4.23 -0.85 -1.26 -0.83 117.35 117.97 1fql s TYR 191 Ca 0.54 -0.84 0.09 0.00 -0.52 0.00 0.00 57.07 56.34 1fql s TYR 191 Cb -0.33 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 1fql s TYR 191 CO 0.42 -0.92 -0.13 -1.58 -1.52 0.00 0.00 175.55 171.81 1fql s TRP 192 N -4.04 2.58 -0.05 -3.49 0.51 0.14 -1.40 118.94 113.19 1fql s TRP 192 Ca 0.25 -0.24 -0.08 0.00 -2.12 0.00 0.00 56.10 53.91 1fql s TRP 192 Cb 0.01 -1.30 0.02 0.00 -0.81 0.00 0.00 33.47 31.38 1fql s TRP 192 CO 0.09 0.47 0.20 -0.08 -0.51 0.00 0.00 176.95 177.12 1fql s THR 193 N -1.51 0.03 0.05 2.01 -1.32 -0.08 -0.90 115.64 113.92 1fql s THR 193 Ca 0.22 -0.21 -0.27 0.00 -1.21 0.00 0.00 61.69 60.22 1fql s THR 193 Cb -0.09 -0.36 0.08 0.00 -1.51 0.00 0.00 72.50 70.62 1fql s THR 193 CO 0.13 -0.12 0.71 -0.72 -2.21 0.00 0.00 174.62 172.41 1fql s TYR 194 N -0.38 -0.52 -0.14 9.09 1.13 -1.13 -1.51 117.35 123.89 1fql s TYR 194 Ca -0.05 0.53 -0.25 0.00 -1.41 0.00 0.00 57.07 55.89 1fql s TYR 194 Cb -0.03 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.32 1fql s TYR 194 CO 0.01 -0.69 0.82 -1.25 -2.51 0.00 0.00 175.55 171.93 1fql s PRO 195 N -2.78 4.34 0.00 -3.49 0.04 -1.26 -1.51 135.00 130.33 1fql s PRO 195 Ca -0.01 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1fql s PRO 195 Cb -0.01 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1fql s PRO 195 CO -0.05 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1fql n GLY 196 N 3.37 5.22 3.36 0.56 0.00 0.36 -4.83 105.19 113.24 1fql n GLY 196 Ca 0.04 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 1fql n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fql s SER 197 N 1.17 1.87 0.53 1.61 1.04 -0.99 -2.57 113.70 116.36 1fql s SER 197 Ca 0.00 -1.66 -0.19 0.00 0.48 0.00 0.00 55.95 54.57 1fql s SER 197 Cb 0.00 0.49 -0.07 0.00 0.10 0.00 0.00 66.02 66.54 1fql s SER 197 CO 0.00 -0.97 1.08 -0.76 0.98 0.00 0.00 173.24 173.57 1fql s LEU 198 N -3.43 3.75 0.00 2.42 1.43 -0.84 -4.57 118.68 117.44 1fql s LEU 198 Ca 0.34 2.01 0.22 0.00 -1.03 0.00 0.00 54.13 55.67 1fql s LEU 198 Cb 0.03 -4.56 0.58 0.00 0.03 0.00 0.00 46.19 42.27 1fql s LEU 198 CO 0.20 -1.02 1.50 0.35 0.23 0.00 0.00 176.35 177.61 1fql n THR 199 N -1.27 0.83 -4.18 5.49 -2.24 -1.26 -4.37 114.28 107.28 1fql n THR 199 Ca 0.10 -0.89 -0.15 0.00 -2.27 0.00 0.00 64.05 60.84 1fql n THR 199 Cb 0.52 0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 69.22 1fql n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fql s THR 200 N -1.17 1.02 0.43 4.28 -4.23 -1.26 -4.72 115.64 109.99 1fql s THR 200 Ca 0.45 -1.59 -0.24 0.00 -1.18 0.00 0.00 61.69 59.13 1fql s THR 200 Cb 0.24 -1.33 -0.11 0.00 1.34 0.00 0.00 72.50 72.65 1fql s THR 200 CO 0.32 -0.49 0.92 -2.65 -0.54 0.00 0.00 174.62 172.19 1fql n PRO 201 N 0.67 1.18 0.00 3.99 -0.02 -1.26 0.10 135.00 139.67 1fql n PRO 201 Ca -0.17 0.42 0.10 0.00 -2.02 0.00 0.00 63.50 61.83 1fql n PRO 201 Cb 0.57 -1.95 0.57 0.00 -0.02 0.00 0.00 33.50 32.67 1fql n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fql n PRO 202 N 0.17 0.65 -3.04 0.52 -0.04 -1.26 -5.00 135.00 127.00 1fql n PRO 202 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1fql n PRO 202 Cb 0.39 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1fql n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fql n LEU 203 N -0.96 -2.54 -4.75 1.53 4.77 0.12 -4.89 117.00 110.28 1fql n LEU 203 Ca 0.14 -0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 1fql n LEU 203 Cb 0.07 -2.88 -0.02 0.00 -2.33 0.00 0.00 43.42 38.25 1fql n LEU 203 CO 0.11 0.21 1.15 -0.76 -1.33 0.00 0.00 177.39 176.77 1fql s LEU 204 N -6.66 4.37 -1.29 2.23 1.43 -1.26 -4.39 118.68 113.12 1fql s LEU 204 Ca 0.31 2.76 -0.12 0.00 -1.03 0.00 0.00 54.13 56.05 1fql s LEU 204 Cb -0.14 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.60 1fql s LEU 204 CO 0.38 -0.77 1.79 -0.62 0.23 0.00 0.00 176.35 177.36 1fql n GLU 205 N 2.23 3.41 0.00 1.70 1.02 -1.26 -1.99 120.64 125.76 1fql n GLU 205 Ca 0.07 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.74 1fql n GLU 205 Cb 0.39 -3.06 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 1fql n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fql s VAL 207 N -0.36 4.66 -0.36 0.00 1.01 -1.06 -1.33 120.40 122.96 1fql s VAL 207 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1fql s VAL 207 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1fql s VAL 207 CO 0.00 0.54 0.21 -0.89 0.00 0.00 0.00 175.10 174.97 1fql s THR 208 N -0.33 4.84 0.06 3.92 2.01 -0.56 -0.49 115.64 125.09 1fql s THR 208 Ca 0.08 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.26 1fql s THR 208 Cb -0.12 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 1fql s THR 208 CO 0.02 -0.12 0.73 0.26 -0.69 0.00 0.00 174.62 174.81 1fql s TRP 209 N 1.62 3.77 -0.27 4.92 0.52 -0.57 -1.96 118.94 126.97 1fql s TRP 209 Ca 0.04 1.45 -0.00 0.00 0.02 0.00 0.00 56.10 57.61 1fql s TRP 209 Cb -0.18 -2.75 0.08 0.00 -1.15 0.00 0.00 33.47 29.47 1fql s TRP 209 CO 0.08 0.36 0.05 0.42 0.02 0.00 0.00 176.95 177.88 1fql s ILE 210 N -0.38 1.07 -0.30 2.03 1.01 -0.25 -2.81 121.20 121.56 1fql s ILE 210 Ca 0.36 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1fql s ILE 210 Cb -0.21 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1fql s ILE 210 CO 0.22 -0.45 0.14 -0.69 0.00 0.00 0.00 174.94 174.16 1fql s VAL 211 N 1.56 4.57 0.26 2.92 1.01 -0.08 -0.30 120.40 130.33 1fql s VAL 211 Ca 0.04 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1fql s VAL 211 Cb -0.18 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1fql s VAL 211 CO -0.16 0.12 1.28 -0.76 0.00 0.00 0.00 175.10 175.58 1fql s LEU 212 N 1.62 4.44 0.08 3.92 1.43 -0.48 -0.68 118.68 129.01 1fql s LEU 212 Ca 0.05 2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 1fql s LEU 212 Cb -0.17 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 1fql s LEU 212 CO 0.06 -0.47 1.50 0.50 0.23 0.00 0.00 176.35 178.17 1fql h LYS 213 N 4.47 0.42 -5.99 1.70 3.64 -1.32 -3.43 116.57 116.05 1fql h LYS 213 Ca -0.46 -0.14 -0.59 0.00 -1.27 0.00 0.00 60.65 58.19 1fql h LYS 213 Cb 1.22 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.92 1fql h LYS 213 CO 0.72 0.61 0.61 -2.00 -2.27 0.00 0.00 179.45 177.12 1fql s GLU 214 N -4.92 4.08 0.77 1.90 2.12 -1.26 -5.01 118.70 116.38 1fql s GLU 214 Ca -0.14 0.92 -0.12 0.00 0.36 0.00 0.00 54.97 56.00 1fql s GLU 214 Cb 0.07 -3.70 0.05 0.00 0.26 0.00 0.00 34.13 30.81 1fql s GLU 214 CO 0.74 -0.71 1.11 -1.25 -0.54 0.00 0.00 175.26 174.62 1fql s PRO 215 N 3.19 2.31 0.30 4.30 0.04 -1.26 -4.68 135.00 139.19 1fql s PRO 215 Ca 0.39 0.45 0.07 0.00 0.04 0.00 0.00 61.00 61.95 1fql s PRO 215 Cb -0.14 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1fql s PRO 215 CO 0.11 -1.42 0.24 0.96 0.04 0.00 0.00 177.00 176.94 1fql s ILE 216 N -3.32 3.93 0.05 0.56 -4.36 -0.38 -4.88 121.20 112.80 1fql s ILE 216 Ca 0.60 -1.40 0.02 0.00 -0.26 0.00 0.00 60.65 59.61 1fql s ILE 216 Cb -0.12 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 1fql s ILE 216 CO 0.52 -0.26 0.05 -0.44 0.24 0.00 0.00 174.94 175.06 1fql s SER 217 N -3.92 5.41 0.03 4.36 0.01 -1.26 -1.21 113.70 117.12 1fql s SER 217 Ca 0.37 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1fql s SER 217 Cb -0.07 -1.44 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 1fql s SER 217 CO 0.26 0.21 -0.06 0.68 0.41 0.00 0.00 173.24 174.74 1fql s VAL 218 N -1.29 0.39 0.77 3.43 -7.23 -0.52 -3.61 120.40 112.33 1fql s VAL 218 Ca 0.26 -1.03 -0.11 0.00 -1.81 0.00 0.00 61.98 59.29 1fql s VAL 218 Cb -0.12 -0.50 0.05 0.00 0.56 0.00 0.00 36.38 36.37 1fql s VAL 218 CO 0.18 -0.43 1.08 -0.94 -0.31 0.00 0.00 175.10 174.68 1fql s SER 219 N -1.56 4.66 0.44 4.85 1.04 -1.18 -0.15 113.70 121.81 1fql s SER 219 Ca -0.12 1.59 0.10 0.00 0.48 0.00 0.00 55.95 58.01 1fql s SER 219 Cb -0.10 -2.36 0.97 0.00 0.10 0.00 0.00 66.02 64.63 1fql s SER 219 CO -0.00 -1.90 2.05 0.77 0.98 0.00 0.00 173.24 175.14 1fql h SER 220 N -1.04 0.26 -0.63 7.02 4.64 -1.94 -2.14 113.55 119.72 1fql h SER 220 Ca -0.45 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 1fql h SER 220 Cb 1.24 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1fql h SER 220 CO 0.55 0.25 0.06 -0.33 -0.87 0.00 0.00 176.83 176.49 1fql h GLU 221 N 0.30 1.08 -0.11 4.77 3.07 -1.95 -1.11 114.58 120.63 1fql h GLU 221 Ca 0.08 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 1fql h GLU 221 Cb 0.07 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1fql h GLU 221 CO -0.01 1.02 0.04 1.96 -1.40 0.00 0.00 179.01 180.61 1fql h GLN 222 N 0.99 0.17 0.00 2.33 4.20 -1.79 -2.74 115.11 118.26 1fql h GLN 222 Ca 0.19 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1fql h GLN 222 Cb 0.49 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1fql h GLN 222 CO 0.02 0.32 -0.23 -0.24 -0.67 0.00 0.00 178.83 178.03 1fql h VAL 223 N -0.00 1.12 -0.66 -0.54 3.04 -1.27 -1.78 116.25 116.15 1fql h VAL 223 Ca 0.04 -0.81 -0.03 0.00 -1.01 0.00 0.00 66.70 64.89 1fql h VAL 223 Cb 0.22 1.44 -0.03 0.00 -2.01 0.00 0.00 31.29 30.90 1fql h VAL 223 CO -0.00 0.23 0.30 -0.07 -1.01 0.00 0.00 177.57 177.02 1fql h LEU 224 N 0.00 0.86 -0.21 3.16 3.38 -0.99 -2.52 115.31 118.99 1fql h LEU 224 Ca -0.00 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 1fql h LEU 224 Cb 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1fql h LEU 224 CO 0.03 0.74 -0.93 0.11 0.09 0.00 0.00 178.44 178.48 1fql h LYS 225 N 0.94 0.17 0.00 1.13 1.57 -1.05 -3.09 116.57 116.25 1fql h LYS 225 Ca 0.23 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1fql h LYS 225 Cb 0.12 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1fql h LYS 225 CO -0.03 0.98 0.00 0.74 -0.57 0.00 0.00 179.45 180.58 1fql h PHE 226 N 0.09 0.00 -0.01 -1.35 -1.00 -1.02 -2.15 116.94 111.50 1fql h PHE 226 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1fql h PHE 226 Cb 1.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.15 1fql h PHE 226 CO 0.03 0.00 -0.13 0.54 -1.61 0.00 0.00 178.31 177.14 1fql n ARG 227 N -3.04 1.10 -0.13 1.51 1.74 -1.04 -4.12 116.66 112.68 1fql n ARG 227 Ca -0.00 -0.58 0.11 0.00 -0.77 0.00 0.00 57.85 56.60 1fql n ARG 227 Cb 0.23 -1.49 0.30 0.00 -1.02 0.00 0.00 32.46 30.48 1fql n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fql n LYS 228 N -0.44 2.03 -1.66 5.56 5.02 -0.81 -4.53 118.16 123.33 1fql n LYS 228 Ca 0.15 -1.55 -0.29 0.00 -2.02 0.00 0.00 58.31 54.60 1fql n LYS 228 Cb 0.33 -1.43 0.12 0.00 -0.02 0.00 0.00 35.03 34.02 1fql n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fql s LEU 229 N -1.48 2.23 0.04 -0.35 2.01 -1.26 -4.89 118.68 114.98 1fql s LEU 229 Ca 0.34 0.94 0.08 0.00 0.01 0.00 0.00 54.13 55.49 1fql s LEU 229 Cb 0.19 -3.35 -0.03 0.00 0.01 0.00 0.00 46.19 43.02 1fql s LEU 229 CO 0.27 -2.28 -0.22 0.20 1.01 0.00 0.00 176.35 175.34 1fql s ASN 230 N -4.20 2.64 0.02 2.29 0.02 0.27 -0.53 114.94 115.44 1fql s ASN 230 Ca 0.63 -0.53 -0.17 0.00 -1.02 0.00 0.00 52.86 51.77 1fql s ASN 230 Cb -0.13 -0.23 -0.31 0.00 0.02 0.00 0.00 41.25 40.60 1fql s ASN 230 CO 0.52 0.19 1.03 -0.26 0.02 0.00 0.00 177.10 178.60 1fql h PHE 231 N 4.91 0.86 -3.86 2.20 0.04 -1.23 -3.35 116.94 116.51 1fql h PHE 231 Ca -0.43 -0.57 -0.48 0.00 2.80 0.00 0.00 57.97 59.29 1fql h PHE 231 Cb 1.15 -0.06 0.18 0.00 2.20 0.00 0.00 35.95 39.43 1fql h PHE 231 CO 0.49 1.43 0.17 0.54 -0.60 0.00 0.00 178.31 180.33 1fql s ASN 232 N -7.29 2.50 0.38 2.17 4.22 -1.26 -4.29 114.94 111.37 1fql s ASN 232 Ca -0.11 1.68 -0.01 0.00 -2.14 0.00 0.00 52.86 52.29 1fql s ASN 232 Cb 0.04 -2.32 -0.03 0.00 1.28 0.00 0.00 41.25 40.22 1fql s ASN 232 CO 0.90 -3.28 0.60 -0.83 -2.04 0.00 0.00 177.10 172.45 1fql s GLY 233 N -2.93 1.37 0.11 0.45 0.00 -1.26 -1.09 107.32 103.97 1fql s GLY 233 Ca 0.66 -0.83 -0.35 0.00 0.00 0.00 0.00 44.72 44.20 1fql s GLY 233 CO 0.60 -0.75 1.54 -2.21 0.00 0.00 0.00 173.10 172.28 1fql n GLU 234 N -1.89 1.85 -0.47 2.90 2.13 -1.26 -1.90 120.64 122.00 1fql n GLU 234 Ca -0.04 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1fql n GLU 234 Cb 0.56 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1fql n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fql n GLY 235 N 3.26 0.75 3.77 8.31 0.00 -1.26 -5.06 105.19 114.97 1fql n GLY 235 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1fql n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fql s GLU 236 N -0.53 2.41 0.40 1.61 2.02 -0.80 -5.07 118.70 118.74 1fql s GLU 236 Ca 0.00 -1.57 -0.27 0.00 0.02 0.00 0.00 54.97 53.15 1fql s GLU 236 Cb 0.00 -2.21 -0.10 0.00 0.10 0.00 0.00 34.13 31.92 1fql s GLU 236 CO 0.00 0.01 1.37 -2.30 0.02 0.00 0.00 175.26 174.36 1fql n PRO 237 N -1.26 2.26 -2.34 0.39 -0.02 -1.26 -4.89 135.00 127.87 1fql n PRO 237 Ca -0.01 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1fql n PRO 237 Cb 0.62 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1fql n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fql s GLU 238 N -2.15 4.28 -0.24 -0.52 2.12 -1.26 -4.73 118.70 116.20 1fql s GLU 238 Ca 0.57 1.80 0.01 0.00 0.36 0.00 0.00 54.97 57.72 1fql s GLU 238 Cb -0.50 -3.66 0.06 0.00 0.26 0.00 0.00 34.13 30.29 1fql s GLU 238 CO 0.61 -0.59 -0.07 -1.21 -0.54 0.00 0.00 175.26 173.45 1fql s GLU 239 N 2.80 1.78 0.31 4.30 2.02 -1.26 -5.05 118.70 123.59 1fql s GLU 239 Ca 0.59 -1.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.23 1fql s GLU 239 Cb -0.27 -2.65 -0.10 0.00 0.10 0.00 0.00 34.13 31.22 1fql s GLU 239 CO 0.22 -0.58 1.21 -0.51 0.02 0.00 0.00 175.26 175.62 1fql s LEU 240 N 1.33 4.47 -1.21 1.80 1.43 -1.26 -0.81 118.68 124.43 1fql s LEU 240 Ca -0.06 2.49 -0.20 0.00 -1.03 0.00 0.00 54.13 55.33 1fql s LEU 240 Cb -0.19 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1fql s LEU 240 CO -0.06 -0.37 1.67 -0.32 0.23 0.00 0.00 176.35 177.50 1fql s MET 241 N -1.66 3.78 0.07 1.70 -2.45 0.30 -4.62 119.30 116.42 1fql s MET 241 Ca 0.47 -1.69 0.03 0.00 -1.25 0.00 0.00 55.69 53.26 1fql s MET 241 Cb -0.36 -5.47 -0.03 0.00 1.25 0.00 0.00 34.83 30.22 1fql s MET 241 CO 0.47 -2.35 -0.09 0.14 1.05 0.00 0.00 175.02 174.24 1fql s VAL 242 N 4.87 0.80 -1.42 10.11 -7.23 -1.26 -4.70 120.40 121.57 1fql s VAL 242 Ca 0.53 -1.42 -0.08 0.00 -1.81 0.00 0.00 61.98 59.20 1fql s VAL 242 Cb 0.02 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1fql s VAL 242 CO 0.03 -0.48 1.02 0.47 -0.31 0.00 0.00 175.10 175.83 1fql n ASP 243 N 0.92 -6.33 -3.35 4.85 8.00 0.70 -4.87 116.55 116.47 1fql n ASP 243 Ca -0.19 -0.46 -0.39 0.00 0.71 0.00 0.00 54.79 54.46 1fql n ASP 243 Cb 0.56 -5.01 -0.02 0.00 -0.02 0.00 0.00 41.12 36.63 1fql n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1fql n ASN 244 N -2.86 8.22 -4.05 -2.24 6.94 -1.19 -4.89 115.26 115.18 1fql n ASN 244 Ca -0.03 -2.91 -0.13 0.00 -0.02 0.00 0.00 54.58 51.49 1fql n ASN 244 Cb 0.58 -1.43 -0.12 0.00 -2.36 0.00 0.00 39.78 36.45 1fql n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1fql s TRP 245 N 0.14 0.65 -0.08 -2.53 1.48 -1.26 -4.67 118.94 112.67 1fql s TRP 245 Ca 0.61 -0.47 -0.12 0.00 -1.06 0.00 0.00 56.10 55.06 1fql s TRP 245 Cb 0.19 -0.39 -0.05 0.00 -1.16 0.00 0.00 33.47 32.06 1fql s TRP 245 CO -0.08 -0.08 0.29 0.50 -4.06 0.00 0.00 176.95 173.51 1fql s ARG 246 N -1.46 3.81 0.77 3.25 3.52 -1.26 -4.96 118.95 122.62 1fql s ARG 246 Ca -0.09 0.15 -0.12 0.00 -0.13 0.00 0.00 55.73 55.54 1fql s ARG 246 Cb -0.09 -3.25 0.06 0.00 -1.56 0.00 0.00 34.95 30.10 1fql s ARG 246 CO 0.00 0.63 1.11 -2.14 -0.81 0.00 0.00 175.30 174.10 1fql s PRO 247 N -0.75 2.17 0.56 5.12 0.02 -1.26 -4.66 135.00 136.21 1fql s PRO 247 Ca 0.19 1.32 -0.20 0.00 0.02 0.00 0.00 61.00 62.33 1fql s PRO 247 Cb -0.14 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1fql s PRO 247 CO 0.08 -1.73 1.06 0.00 -0.33 0.00 0.00 177.00 176.08 1fql n ALA 248 N -3.33 0.48 -2.58 -1.55 0.00 -1.26 -4.39 120.51 107.88 1fql n ALA 248 Ca 0.10 0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1fql n ALA 248 Cb 0.52 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 1fql n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1fql s GLN 249 N -2.67 2.06 0.23 0.00 -1.52 0.19 -4.93 119.66 113.01 1fql s GLN 249 Ca 0.73 -1.51 -0.31 0.00 -1.95 0.00 0.00 55.36 52.32 1fql s GLN 249 Cb -0.44 -2.03 -0.11 0.00 -0.22 0.00 0.00 33.01 30.21 1fql s GLN 249 CO 0.49 0.36 1.64 -2.14 -0.25 0.00 0.00 175.29 175.39 1fql s PRO 250 N -3.49 4.15 0.32 2.91 0.02 -1.26 -4.51 135.00 133.13 1fql s PRO 250 Ca 0.30 2.54 0.07 0.00 0.02 0.00 0.00 61.00 63.93 1fql s PRO 250 Cb -0.06 -3.07 0.55 0.00 0.02 0.00 0.00 34.50 31.94 1fql s PRO 250 CO 0.18 -0.67 1.77 1.25 -0.33 0.00 0.00 177.00 179.20 1fql h LEU 251 N 6.00 0.27 0.00 -5.54 5.85 -1.93 -3.44 115.31 116.53 1fql h LEU 251 Ca -0.45 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1fql h LEU 251 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1fql h LEU 251 CO 0.88 0.57 0.00 0.29 -0.34 0.00 0.00 178.44 179.84 1fql n LYS 252 N -4.12 0.00 -1.63 1.25 5.02 -1.26 -3.06 118.16 114.37 1fql n LYS 252 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 1fql n LYS 252 Cb 0.40 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.37 1fql n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1fql n ASN 253 N 4.86 6.85 -4.23 4.39 2.85 -1.26 -4.90 115.26 123.81 1fql n ASN 253 Ca 0.00 -3.23 -0.19 0.00 -0.11 0.00 0.00 54.58 51.06 1fql n ASN 253 Cb 0.00 -1.25 -0.11 0.00 1.24 0.00 0.00 39.78 39.65 1fql n ASN 253 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1fql s ARG 254 N -1.74 1.00 -0.02 1.20 0.52 -1.17 -5.14 118.95 113.60 1fql s ARG 254 Ca 0.57 -1.18 0.07 0.00 -0.52 0.00 0.00 55.73 54.67 1fql s ARG 254 Cb 0.34 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.86 1fql s ARG 254 CO -0.20 0.19 -0.23 -1.14 0.02 0.00 0.00 175.30 173.93 1fql s GLN 255 N -2.44 1.87 -0.17 3.54 0.74 -1.26 -5.02 119.66 116.93 1fql s GLN 255 Ca 0.07 -0.83 -0.11 0.00 0.05 0.00 0.00 55.36 54.54 1fql s GLN 255 Cb -0.06 -1.82 -0.05 0.00 1.10 0.00 0.00 33.01 32.18 1fql s GLN 255 CO 0.03 0.50 0.19 0.42 -0.55 0.00 0.00 175.29 175.87 1fql s ILE 256 N -0.55 5.38 0.03 -2.34 1.01 -1.26 -4.72 121.20 118.75 1fql s ILE 256 Ca 0.09 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.06 1fql s ILE 256 Cb -0.09 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1fql s ILE 256 CO -0.01 0.46 0.11 -0.54 0.00 0.00 0.00 174.94 174.96 1fql s LYS 257 N 0.12 3.10 -0.02 2.79 -0.14 -0.57 -0.66 119.74 124.36 1fql s LYS 257 Ca 0.12 -0.53 0.06 0.00 -1.36 0.00 0.00 55.97 54.26 1fql s LYS 257 Cb -0.12 -2.87 -0.02 0.00 -1.68 0.00 0.00 37.83 33.14 1fql s LYS 257 CO 0.01 0.62 -0.20 0.00 -0.76 0.00 0.00 175.35 175.02 1fql s ALA 258 N -1.32 2.43 -2.26 5.17 0.00 -0.05 -0.91 121.76 124.82 1fql s ALA 258 Ca 0.27 -1.08 0.20 0.00 0.00 0.00 0.00 51.96 51.36 1fql s ALA 258 Cb -0.12 -0.75 0.69 0.00 0.00 0.00 0.00 23.12 22.94 1fql s ALA 258 CO 0.19 0.55 1.51 -1.13 0.00 0.00 0.00 175.76 176.88 1fql n SER 259 N 2.24 1.78 -4.10 0.00 3.41 -0.49 -1.00 113.62 115.46 1fql n SER 259 Ca -0.17 -1.75 -0.10 0.00 -0.26 0.00 0.00 58.87 56.59 1fql n SER 259 Cb 0.52 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.25 1fql n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fql s PHE 260 N -1.75 0.79 0.00 7.33 -0.71 -1.26 -4.89 117.98 117.49 1fql s PHE 260 Ca 0.32 -1.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.10 1fql s PHE 260 Cb 0.17 -0.33 0.00 0.00 -1.21 0.00 0.00 43.02 41.65 1fql s PHE 260 CO 0.26 -0.66 0.36 0.36 -1.34 0.00 0.00 175.22 174.19