#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxf s VAL 17 N 0.00 3.82 -0.62 1.39 1.01 0.94 -3.97 120.40 122.98 1hxf s VAL 17 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1hxf s VAL 17 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1hxf s VAL 17 CO 0.00 0.40 0.13 -0.62 0.00 0.00 0.00 175.10 175.01 1hxf n GLU 18 N 4.69 -1.30 -2.07 2.72 -0.58 -1.26 -1.25 120.64 121.59 1hxf n GLU 18 Ca -0.17 0.36 -0.10 0.00 -0.42 0.00 0.00 57.16 56.82 1hxf n GLU 18 Cb 0.51 -4.15 0.03 0.00 -0.57 0.00 0.00 31.44 27.27 1hxf n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hxf n GLY 19 N -1.02 2.00 3.38 0.62 0.00 -1.26 -4.71 105.19 104.19 1hxf n GLY 19 Ca -0.06 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 1hxf n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hxf s SER 20 N -2.87 2.11 0.22 1.61 1.04 0.15 -4.85 113.70 111.10 1hxf s SER 20 Ca 0.31 -1.27 -0.31 0.00 0.48 0.00 0.00 55.95 55.17 1hxf s SER 20 Cb -0.02 -0.04 -0.10 0.00 0.10 0.00 0.00 66.02 65.96 1hxf s SER 20 CO 0.20 -0.52 1.49 -1.81 0.98 0.00 0.00 173.24 173.58 1hxf s ASP 21 N -3.38 6.62 0.61 7.02 1.01 -1.26 0.13 116.67 127.41 1hxf s ASP 21 Ca 0.31 2.65 -0.17 0.00 0.71 0.00 0.00 52.55 56.06 1hxf s ASP 21 Cb 0.06 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1hxf s ASP 21 CO 0.11 -0.76 1.12 0.00 0.21 0.00 0.00 175.17 175.85 1hxf s ALA 22 N 0.43 2.58 0.75 5.23 0.00 0.11 -4.76 121.76 126.11 1hxf s ALA 22 Ca 0.63 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 1hxf s ALA 22 Cb -0.43 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1hxf s ALA 22 CO 0.39 -1.04 1.11 -1.21 0.00 0.00 0.00 175.76 175.01 1hxf s GLU 23 N -3.75 2.50 0.50 0.00 2.02 -1.26 -4.90 118.70 113.82 1hxf s GLU 23 Ca 0.69 0.47 -0.22 0.00 0.02 0.00 0.00 54.97 55.94 1hxf s GLU 23 Cb -0.22 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 31.97 1hxf s GLU 23 CO 0.35 -1.29 1.17 0.42 0.02 0.00 0.00 175.26 175.93 1hxf s ILE 24 N -3.32 3.03 -1.34 -1.63 -1.09 -1.26 -2.87 121.20 112.72 1hxf s ILE 24 Ca 0.59 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 1hxf s ILE 24 Cb -0.12 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1hxf s ILE 24 CO 0.52 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1hxf n GLY 25 N 0.39 0.87 0.19 6.18 0.00 -1.26 -4.91 105.19 106.64 1hxf n GLY 25 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1hxf n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1hxf h MET 26 N 0.00 0.30 -2.07 1.61 -1.53 -1.90 -3.36 114.93 107.99 1hxf h MET 26 Ca -0.28 -0.18 -0.56 0.00 -3.44 0.00 0.00 59.70 55.24 1hxf h MET 26 Cb 0.94 0.02 -0.40 0.00 -0.55 0.00 0.00 31.60 31.61 1hxf h MET 26 CO 0.39 0.75 -0.97 0.43 0.14 0.00 0.00 176.91 177.65 1hxf n SER 27 N -3.94 1.47 0.00 1.39 7.64 -1.26 -4.98 113.62 113.93 1hxf n SER 27 Ca -0.02 -3.00 0.08 0.00 1.01 0.00 0.00 58.87 56.94 1hxf n SER 27 Cb 0.56 -0.64 0.42 0.00 -1.01 0.00 0.00 64.21 63.55 1hxf n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1hxf n PRO 28 N 0.95 0.25 0.00 1.43 -0.04 -1.26 -1.86 135.00 134.46 1hxf n PRO 28 Ca 0.25 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1hxf n PRO 28 Cb 0.51 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.70 1hxf n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1hxf n TRP 29 N -1.28 0.00 -2.14 0.54 2.14 -0.62 -0.24 117.44 115.84 1hxf n TRP 29 Ca 0.08 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.23 1hxf n TRP 29 Cb 0.13 -0.07 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 1hxf n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1hxf s GLN 30 N -2.47 4.29 0.09 -2.67 2.00 -0.78 -0.57 119.66 119.56 1hxf s GLN 30 Ca 0.22 2.09 0.09 0.00 -2.00 0.00 0.00 55.36 55.76 1hxf s GLN 30 Cb 0.19 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.60 1hxf s GLN 30 CO 0.53 -0.51 -0.20 0.08 -0.50 0.00 0.00 175.29 174.69 1hxf s VAL 31 N 1.58 2.71 -0.20 1.34 1.01 -0.75 -4.15 120.40 121.95 1hxf s VAL 31 Ca 0.66 -1.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1hxf s VAL 31 Cb -0.36 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1hxf s VAL 31 CO 0.30 0.19 0.03 -0.32 0.00 0.00 0.00 175.10 175.29 1hxf s MET 32 N -1.86 3.75 -0.39 2.72 1.75 -0.17 -1.96 119.30 123.14 1hxf s MET 32 Ca 0.16 -0.45 -0.25 0.00 -1.25 0.00 0.00 55.69 53.89 1hxf s MET 32 Cb -0.10 -3.15 0.02 0.00 2.84 0.00 0.00 34.83 34.43 1hxf s MET 32 CO 0.08 0.10 0.91 -1.17 -0.65 0.00 0.00 175.02 174.28 1hxf s LEU 33 N 0.81 4.01 -0.06 4.11 0.20 0.13 -1.72 118.68 126.17 1hxf s LEU 33 Ca 0.02 0.44 0.04 0.00 0.69 0.00 0.00 54.13 55.32 1hxf s LEU 33 Cb -0.14 -3.22 -0.00 0.00 -0.43 0.00 0.00 46.19 42.40 1hxf s LEU 33 CO 0.02 -0.90 -0.18 0.12 -0.29 0.00 0.00 176.35 175.13 1hxf s PHE 34 N 3.52 1.82 -0.13 5.38 2.19 0.20 0.38 117.98 131.34 1hxf s PHE 34 Ca 0.37 -0.58 -0.29 0.00 0.33 0.00 0.00 56.93 56.75 1hxf s PHE 34 Cb -0.12 -1.24 -0.01 0.00 -1.31 0.00 0.00 43.02 40.34 1hxf s PHE 34 CO 0.21 -0.22 1.15 0.50 1.83 0.00 0.00 175.22 178.68 1hxf s ARG 35 N 0.17 4.31 0.10 10.12 3.52 0.26 -0.55 118.95 136.89 1hxf s ARG 35 Ca -0.08 1.55 -0.25 0.00 -0.13 0.00 0.00 55.73 56.82 1hxf s ARG 35 Cb -0.13 -3.63 -0.11 0.00 -1.56 0.00 0.00 34.95 29.52 1hxf s ARG 35 CO 0.03 -0.53 1.69 0.87 -0.81 0.00 0.00 175.30 176.55 1hxf h LYS 36 N 7.59 -0.26 -2.34 5.12 1.57 -1.88 -1.96 116.57 124.41 1hxf h LYS 36 Ca -0.28 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.42 1hxf h LYS 36 Cb 1.12 0.06 -0.28 0.00 0.08 0.00 0.00 32.23 33.21 1hxf h LYS 36 CO 0.92 -0.17 -0.38 0.45 -0.57 0.00 0.00 179.45 179.69 1hxf s SER 36 N -4.97 -0.20 0.17 0.86 0.15 -1.26 -3.19 113.70 105.26 1hxf s SER 36 Ca -0.15 0.85 -0.30 0.00 0.70 0.00 0.00 55.95 57.05 1hxf s SER 36 Cb 0.07 1.34 -0.08 0.00 -1.71 0.00 0.00 66.02 65.64 1hxf s SER 36 CO 0.66 -0.25 1.30 -2.16 1.20 0.00 0.00 173.24 173.99 1hxf s PRO 37 N 2.61 4.39 -0.22 5.44 0.04 -1.26 -5.06 135.00 140.94 1hxf s PRO 37 Ca 0.02 2.01 -0.36 0.00 0.04 0.00 0.00 61.00 62.71 1hxf s PRO 37 Cb -0.13 -3.22 -0.12 0.00 0.04 0.00 0.00 34.50 31.07 1hxf s PRO 37 CO -0.14 -0.27 1.96 1.04 0.04 0.00 0.00 177.00 179.64 1hxf n GLN 38 N 3.00 1.58 -3.53 4.56 6.02 -1.18 -4.73 117.38 123.09 1hxf n GLN 38 Ca 0.07 0.54 -0.11 0.00 -0.01 0.00 0.00 57.00 57.49 1hxf n GLN 38 Cb 0.43 -2.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.16 1hxf n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1hxf s GLU 39 N 4.75 0.78 -0.14 -1.09 -1.05 -0.74 -4.95 118.70 116.25 1hxf s GLU 39 Ca 1.00 -0.05 -0.29 0.00 -0.15 0.00 0.00 54.97 55.48 1hxf s GLU 39 Cb -0.82 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 33.21 1hxf s GLU 39 CO 0.54 -0.29 1.34 -1.17 0.95 0.00 0.00 175.26 176.63 1hxf s LEU 40 N -1.74 4.22 -0.16 1.83 2.96 -1.26 -0.57 118.68 123.95 1hxf s LEU 40 Ca -0.00 1.82 -0.13 0.00 -0.22 0.00 0.00 54.13 55.59 1hxf s LEU 40 Cb -0.01 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 1hxf s LEU 40 CO -0.02 -0.79 0.00 -0.07 -1.32 0.00 0.00 176.35 174.15 1hxf h LEU 41 N 9.74 0.00 0.00 -0.68 4.07 -0.43 -3.48 115.31 124.53 1hxf h LEU 41 Ca -0.30 -0.20 0.05 0.00 0.08 0.00 0.00 57.88 57.51 1hxf h LEU 41 Cb 1.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 1hxf h LEU 41 CO 0.96 0.99 0.32 0.00 -1.08 0.00 0.00 178.44 179.63 1hxf s GLY 43 N -2.78 1.88 0.24 0.00 0.00 -0.19 0.20 107.32 106.68 1hxf s GLY 43 Ca 0.14 -1.90 -0.18 0.00 0.00 0.00 0.00 44.72 42.79 1hxf s GLY 43 CO 0.06 -1.64 0.87 0.00 0.00 0.00 0.00 173.10 172.39 1hxf n ALA 44 N -2.02 -2.17 -2.99 3.20 0.00 -0.83 -3.56 120.51 112.14 1hxf n ALA 44 Ca 0.11 -1.02 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 1hxf n ALA 44 Cb 0.61 0.67 -0.11 0.00 0.00 0.00 0.00 19.45 20.62 1hxf n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hxf s SER 45 N -3.12 0.12 -0.09 0.00 1.04 -0.07 -1.80 113.70 109.78 1hxf s SER 45 Ca 0.19 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 56.09 1hxf s SER 45 Cb -0.03 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1hxf s SER 45 CO 0.07 -0.24 0.75 -0.22 0.98 0.00 0.00 173.24 174.58 1hxf s LEU 46 N -1.06 4.28 -0.00 2.42 0.20 0.27 -0.64 118.68 124.14 1hxf s LEU 46 Ca -0.12 1.20 0.07 0.00 0.69 0.00 0.00 54.13 55.98 1hxf s LEU 46 Cb -0.07 -3.15 -0.10 0.00 -0.43 0.00 0.00 46.19 42.45 1hxf s LEU 46 CO -0.00 -0.21 0.24 2.30 -0.29 0.00 0.00 176.35 178.39 1hxf n ILE 47 N 4.08 0.00 -3.83 6.68 -5.35 -0.70 -2.67 119.36 117.58 1hxf n ILE 47 Ca 0.01 -0.25 -0.04 0.00 -0.27 0.00 0.00 62.75 62.19 1hxf n ILE 47 Cb 0.51 0.67 0.01 0.00 -1.74 0.00 0.00 39.64 39.09 1hxf n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1hxf s SER 48 N -2.25 -0.05 0.34 7.28 1.04 -1.21 -4.76 113.70 114.09 1hxf s SER 48 Ca 0.00 -0.67 0.24 0.00 0.48 0.00 0.00 55.95 56.00 1hxf s SER 48 Cb 0.05 0.56 1.25 0.00 0.10 0.00 0.00 66.02 67.97 1hxf s SER 48 CO 0.30 -1.08 1.74 -2.24 0.98 0.00 0.00 173.24 172.94 1hxf h ASP 49 N 2.00 0.00 0.00 7.02 3.04 -1.97 -3.24 116.42 123.27 1hxf h ASP 49 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1hxf h ASP 49 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1hxf h ASP 49 CO 0.33 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 178.07 1hxf n ARG 50 N -2.35 4.70 -5.21 4.15 1.74 -1.26 -0.20 116.66 118.24 1hxf n ARG 50 Ca -0.01 -0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.70 1hxf n ARG 50 Cb 0.09 -0.46 -0.17 0.00 -1.02 0.00 0.00 32.46 30.90 1hxf n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1hxf s TRP 51 N -0.69 2.56 -0.02 -1.55 0.52 -1.22 0.55 118.94 119.09 1hxf s TRP 51 Ca 0.00 -1.01 0.08 0.00 0.02 0.00 0.00 56.10 55.18 1hxf s TRP 51 Cb 0.00 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.59 1hxf s TRP 51 CO 0.00 -0.40 -0.25 0.08 0.02 0.00 0.00 176.95 176.40 1hxf s VAL 52 N 0.31 1.99 -0.06 4.03 1.01 -0.79 -1.71 120.40 125.17 1hxf s VAL 52 Ca -0.18 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.77 1hxf s VAL 52 Cb -0.18 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1hxf s VAL 52 CO 0.09 0.56 -0.17 -0.22 0.00 0.00 0.00 175.10 175.36 1hxf s LEU 53 N -0.53 2.57 0.34 3.92 2.96 0.18 -0.78 118.68 127.34 1hxf s LEU 53 Ca 0.08 -0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 1hxf s LEU 53 Cb -0.10 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.10 1hxf s LEU 53 CO -0.00 0.30 0.66 0.28 -1.32 0.00 0.00 176.35 176.27 1hxf s THR 54 N -0.48 0.00 0.16 3.68 -1.32 -0.84 -0.89 115.64 115.96 1hxf s THR 54 Ca 0.06 -1.20 -0.30 0.00 -1.21 0.00 0.00 61.69 59.04 1hxf s THR 54 Cb -0.12 -2.57 -0.07 0.00 -1.51 0.00 0.00 72.50 68.23 1hxf s THR 54 CO 0.01 0.00 0.99 0.00 -2.21 0.00 0.00 174.62 173.41 1hxf s ALA 55 N -3.02 3.30 0.50 11.08 0.00 -1.26 -2.04 121.76 130.32 1hxf s ALA 55 Ca 0.19 0.65 0.17 0.00 0.00 0.00 0.00 51.96 52.97 1hxf s ALA 55 Cb -0.04 -3.28 1.26 0.00 0.00 0.00 0.00 23.12 21.07 1hxf s ALA 55 CO 0.12 -0.00 2.11 0.00 0.00 0.00 0.00 175.76 177.99 1hxf h ALA 56 N 5.05 1.83 0.00 0.00 0.00 -1.67 -2.50 119.26 121.96 1hxf h ALA 56 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1hxf h ALA 56 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hxf h ALA 56 CO 0.71 0.08 0.00 -2.39 0.00 0.00 0.00 179.25 177.64 1hxf n HIS 57 N -4.36 0.00 0.11 0.00 1.44 -1.26 -1.13 115.22 110.02 1hxf n HIS 57 Ca -0.03 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.65 1hxf n HIS 57 Cb 0.14 -0.46 0.10 0.00 0.12 0.00 0.00 29.99 29.89 1hxf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hxf n LEU 59 N -3.74 2.32 -3.89 0.00 4.77 -0.28 -4.85 117.00 111.33 1hxf n LEU 59 Ca -0.02 0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.85 1hxf n LEU 59 Cb 0.68 -0.88 -0.16 0.00 -2.33 0.00 0.00 43.42 40.73 1hxf n LEU 59 CO 0.44 0.69 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.56 1hxf s LEU 60 N -7.19 2.17 0.10 2.23 2.96 -0.72 -1.17 118.68 117.05 1hxf s LEU 60 Ca -0.36 -1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 52.38 1hxf s LEU 60 Cb 0.12 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1hxf s LEU 60 CO 0.55 -0.25 0.26 -0.47 -1.32 0.00 0.00 176.35 175.12 1hxf s TYR 60 N 1.52 0.03 0.00 5.38 5.04 0.42 -4.25 117.35 125.49 1hxf s TYR 60 Ca -0.04 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 1hxf s TYR 60 Cb -0.18 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.18 1hxf s TYR 60 CO -0.07 -0.59 0.00 -2.30 -1.34 0.00 0.00 175.55 171.25 1hxf n PRO 60 N -0.08 0.00 -0.08 4.97 -0.02 -1.26 -2.03 135.00 136.50 1hxf n PRO 60 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1hxf n PRO 60 Cb 0.63 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.22 1hxf n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1hxf n TRP 60 N 0.00 0.00 -3.26 6.00 8.01 -1.26 -4.98 117.44 121.95 1hxf n TRP 60 Ca 0.00 -0.85 -0.23 0.00 -1.31 0.00 0.00 57.50 55.10 1hxf n TRP 60 Cb 0.00 -0.13 0.02 0.00 -2.01 0.00 0.00 31.31 29.19 1hxf n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1hxf n ASP 60 N -1.20 -4.95 -4.44 -0.99 8.00 -1.15 -4.93 116.55 106.89 1hxf n ASP 60 Ca 0.12 -0.38 -0.40 0.00 0.71 0.00 0.00 54.79 54.85 1hxf n ASP 60 Cb 0.58 -4.03 -0.11 0.00 -0.02 0.00 0.00 41.12 37.54 1hxf n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1hxf s LYS 60 N -5.93 3.20 -0.45 -1.24 2.20 -0.86 -4.98 119.74 111.67 1hxf s LYS 60 Ca 0.38 -0.83 0.05 0.00 -0.36 0.00 0.00 55.97 55.22 1hxf s LYS 60 Cb -0.19 -3.68 0.18 0.00 -1.51 0.00 0.00 37.83 32.63 1hxf s LYS 60 CO 0.47 -0.52 0.54 1.21 -0.36 0.00 0.00 175.35 176.69 1hxf s ASN 60 N 1.62 -0.10 0.05 1.43 2.47 -1.22 0.16 114.94 119.35 1hxf s ASN 60 Ca 0.04 -2.13 -0.29 0.00 0.42 0.00 0.00 52.86 50.91 1hxf s ASN 60 Cb -0.18 0.91 -0.04 0.00 -1.45 0.00 0.00 41.25 40.48 1hxf s ASN 60 CO 0.07 -0.13 0.92 -0.36 -3.72 0.00 0.00 177.10 173.89 1hxf s PHE 60 N 0.72 3.73 0.38 0.43 0.08 -0.32 -5.01 117.98 117.99 1hxf s PHE 60 Ca 0.28 1.68 0.05 0.00 0.12 0.00 0.00 56.93 59.06 1hxf s PHE 60 Cb -0.01 -3.03 -0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1hxf s PHE 60 CO -0.10 0.12 0.54 0.99 -0.10 0.00 0.00 175.22 176.67 1hxf s THR 60 N 0.45 3.90 0.20 0.64 2.01 -1.26 -4.86 115.64 116.72 1hxf s THR 60 Ca 0.47 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 1hxf s THR 60 Cb -0.22 -3.37 0.16 0.00 0.01 0.00 0.00 72.50 69.09 1hxf s THR 60 CO 0.27 -0.18 1.67 -0.33 -0.69 0.00 0.00 174.62 175.36 1hxf h GLU 61 N 0.71 0.08 -0.03 4.92 5.08 -1.95 -0.76 114.58 122.63 1hxf h GLU 61 Ca -0.45 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1hxf h GLU 61 Cb 1.26 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1hxf h GLU 61 CO 0.53 0.05 0.05 -0.91 -1.00 0.00 0.00 179.01 177.73 1hxf h ASN 62 N 0.08 0.00 1.16 1.42 2.35 -1.95 -2.99 115.58 115.65 1hxf h ASN 62 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1hxf h ASN 62 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1hxf h ASN 62 CO -0.49 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 175.76 1hxf n ASP 63 N -3.68 0.48 -4.22 5.81 8.00 -0.29 -4.96 116.55 117.69 1hxf n ASP 63 Ca -0.02 0.56 -0.13 0.00 0.71 0.00 0.00 54.79 55.91 1hxf n ASP 63 Cb 0.13 -0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 40.45 1hxf n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hxf s LEU 64 N -3.94 1.37 0.11 0.64 1.43 -1.13 -3.52 118.68 113.65 1hxf s LEU 64 Ca 0.11 -1.36 0.08 0.00 -1.03 0.00 0.00 54.13 51.93 1hxf s LEU 64 Cb 0.14 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.59 1hxf s LEU 64 CO 0.52 -0.79 -0.21 -0.76 0.23 0.00 0.00 176.35 175.34 1hxf s LEU 65 N -3.19 2.31 -0.19 1.79 1.02 0.29 -4.48 118.68 116.23 1hxf s LEU 65 Ca 0.37 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 53.80 1hxf s LEU 65 Cb 0.07 -0.91 -0.00 0.00 0.02 0.00 0.00 46.19 45.37 1hxf s LEU 65 CO 0.11 0.06 -0.10 -0.69 0.02 0.00 0.00 176.35 175.75 1hxf s VAL 66 N -1.20 2.92 -0.30 -1.59 1.01 -0.52 0.60 120.40 121.33 1hxf s VAL 66 Ca 0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1hxf s VAL 66 Cb -0.10 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1hxf s VAL 66 CO 0.05 0.47 0.04 -0.13 0.00 0.00 0.00 175.10 175.53 1hxf s ARG 67 N 1.26 2.78 -0.09 2.72 0.52 -0.70 0.12 118.95 125.56 1hxf s ARG 67 Ca 0.03 -1.05 -0.00 0.00 -0.52 0.00 0.00 55.73 54.19 1hxf s ARG 67 Cb -0.14 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 1hxf s ARG 67 CO -0.05 -0.53 -0.06 0.42 0.02 0.00 0.00 175.30 175.10 1hxf s ILE 68 N 1.39 3.74 0.00 1.52 1.01 0.17 -1.00 121.20 128.02 1hxf s ILE 68 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1hxf s ILE 68 Cb -0.18 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1hxf s ILE 68 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1hxf n GLY 69 N 2.53 0.75 3.87 6.18 0.00 -1.25 -1.01 105.19 116.27 1hxf n GLY 69 Ca -0.18 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1hxf n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxf s LYS 70 N -0.77 3.63 0.19 1.61 1.02 -1.26 -4.48 119.74 119.67 1hxf s LYS 70 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1hxf s LYS 70 Cb 0.00 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1hxf s LYS 70 CO 0.00 -0.44 0.00 1.58 -0.92 0.00 0.00 175.35 175.57 1hxf n HIS 71 N -2.46 -1.51 -2.24 3.18 -0.00 -1.26 -4.96 115.22 105.97 1hxf n HIS 71 Ca 0.05 0.27 -0.41 0.00 -0.00 0.00 0.00 57.72 57.62 1hxf n HIS 71 Cb 0.54 0.44 -0.03 0.00 -0.00 0.00 0.00 29.99 30.94 1hxf n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1hxf s SER 72 N -5.18 6.94 0.02 0.26 0.15 -1.26 -1.61 113.70 113.01 1hxf s SER 72 Ca 0.00 2.43 -0.22 0.00 0.70 0.00 0.00 55.95 58.86 1hxf s SER 72 Cb 0.00 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.52 1hxf s SER 72 CO 0.00 -0.46 1.32 -0.09 1.20 0.00 0.00 173.24 175.20 1hxf h ARG 73 N 4.71 0.22 0.00 5.44 2.43 -1.76 -3.39 114.38 122.04 1hxf h ARG 73 Ca -0.46 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1hxf h ARG 73 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1hxf h ARG 73 CO 0.73 0.64 -0.93 0.25 -1.51 0.00 0.00 179.97 179.15 1hxf n THR 74 N -4.67 0.00 -1.85 0.20 -2.24 -1.26 -4.99 114.28 99.46 1hxf n THR 74 Ca -0.07 -0.24 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 1hxf n THR 74 Cb 0.32 0.70 0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1hxf n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hxf s ARG 75 N -2.38 3.26 -0.61 -0.78 1.81 -1.26 -5.03 118.95 113.96 1hxf s ARG 75 Ca 0.01 1.01 -0.17 0.00 -1.72 0.00 0.00 55.73 54.86 1hxf s ARG 75 Cb 0.08 -2.03 0.13 0.00 -0.45 0.00 0.00 34.95 32.68 1hxf s ARG 75 CO 0.48 -0.84 0.65 -0.47 -0.68 0.00 0.00 175.30 174.44 1hxf s TYR 76 N -2.83 3.17 -1.21 -0.53 5.04 -1.26 -4.87 117.35 114.86 1hxf s TYR 76 Ca 0.59 -1.21 -0.18 0.00 -2.44 0.00 0.00 57.07 53.83 1hxf s TYR 76 Cb -0.14 -3.93 0.09 0.00 0.35 0.00 0.00 41.96 38.33 1hxf s TYR 76 CO 0.46 -1.17 1.60 -1.21 -1.34 0.00 0.00 175.55 173.90 1hxf s GLU 77 N 2.02 3.91 0.06 4.97 2.02 -1.26 -4.93 118.70 125.48 1hxf s GLU 77 Ca 0.10 -1.91 -0.35 0.00 0.02 0.00 0.00 54.97 52.83 1hxf s GLU 77 Cb -0.24 -5.40 -0.14 0.00 0.10 0.00 0.00 34.13 28.45 1hxf s GLU 77 CO 0.03 -2.15 1.64 -2.13 0.02 0.00 0.00 175.26 172.67 1hxf n ARG 77 N 7.96 1.97 0.00 1.61 0.63 -1.26 -0.15 116.66 127.43 1hxf n ARG 77 Ca 0.43 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 58.07 1hxf n ARG 77 Cb 0.47 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.89 1hxf n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1hxf n ASN 78 N 4.30 0.00 -0.11 6.15 5.03 -1.26 -4.74 115.26 124.64 1hxf n ASN 78 Ca 0.19 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.48 1hxf n ASN 78 Cb 0.27 -0.25 -0.06 0.00 -1.02 0.00 0.00 39.78 38.72 1hxf n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1hxf n ILE 79 N -1.94 1.51 -2.96 2.41 2.08 0.79 -5.04 119.36 116.21 1hxf n ILE 79 Ca 0.00 -0.05 -0.34 0.00 0.56 0.00 0.00 62.75 62.92 1hxf n ILE 79 Cb 0.00 -2.18 -0.06 0.00 -0.75 0.00 0.00 39.64 36.64 1hxf n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1hxf s GLU 80 N -2.76 4.24 -0.11 0.38 -1.05 0.39 -4.81 118.70 115.00 1hxf s GLU 80 Ca -0.32 0.98 0.04 0.00 -0.15 0.00 0.00 54.97 55.52 1hxf s GLU 80 Cb 0.08 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 31.25 1hxf s GLU 80 CO 0.45 0.17 -0.23 0.15 0.95 0.00 0.00 175.26 176.75 1hxf s LYS 81 N -2.65 3.00 -0.18 -4.83 3.01 -0.18 -4.88 119.74 113.03 1hxf s LYS 81 Ca 0.53 -0.86 -0.04 0.00 -1.01 0.00 0.00 55.97 54.60 1hxf s LYS 81 Cb -0.13 -2.29 -0.02 0.00 -1.01 0.00 0.00 37.83 34.38 1hxf s LYS 81 CO 0.18 0.14 -0.04 0.42 0.51 0.00 0.00 175.35 176.57 1hxf s ILE 82 N 0.43 3.69 0.34 2.17 1.01 -1.26 0.45 121.20 128.03 1hxf s ILE 82 Ca -0.17 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1hxf s ILE 82 Cb -0.18 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1hxf s ILE 82 CO 0.07 0.46 0.11 -0.44 0.00 0.00 0.00 174.94 175.14 1hxf s SER 83 N 0.85 2.22 -0.01 3.58 0.01 0.32 -4.96 113.70 115.72 1hxf s SER 83 Ca -0.01 -1.53 0.05 0.00 1.31 0.00 0.00 55.95 55.78 1hxf s SER 83 Cb -0.15 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 1hxf s SER 83 CO 0.02 -0.80 -0.15 -0.04 0.41 0.00 0.00 173.24 172.68 1hxf s MET 84 N -3.83 2.34 0.08 12.44 1.00 -1.26 -1.43 119.30 128.63 1hxf s MET 84 Ca 0.32 -0.81 -0.20 0.00 0.00 0.00 0.00 55.69 54.99 1hxf s MET 84 Cb 0.06 -2.31 -0.07 0.00 0.00 0.00 0.00 34.83 32.50 1hxf s MET 84 CO 0.15 0.59 0.60 -0.51 0.00 0.00 0.00 175.02 175.85 1hxf s LEU 85 N -1.10 4.53 -0.15 -0.03 1.43 -1.26 0.78 118.68 122.88 1hxf s LEU 85 Ca 0.13 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 1hxf s LEU 85 Cb -0.11 -2.96 -0.23 0.00 0.03 0.00 0.00 46.19 42.92 1hxf s LEU 85 CO 0.03 0.25 0.22 1.21 0.23 0.00 0.00 176.35 178.29 1hxf n GLU 86 N 1.80 0.69 -3.58 1.70 2.13 0.15 -4.57 120.64 118.95 1hxf n GLU 86 Ca -0.09 0.19 -0.13 0.00 0.66 0.00 0.00 57.16 57.78 1hxf n GLU 86 Cb 0.50 -1.64 -0.06 0.00 0.27 0.00 0.00 31.44 30.51 1hxf n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1hxf s LYS 87 N -2.54 0.78 -0.12 5.31 2.36 -1.01 -4.98 119.74 119.53 1hxf s LYS 87 Ca -0.19 0.46 0.01 0.00 -2.55 0.00 0.00 55.97 53.69 1hxf s LYS 87 Cb 0.07 0.37 -0.01 0.00 -1.05 0.00 0.00 37.83 37.21 1hxf s LYS 87 CO 0.75 -0.19 -0.15 0.42 1.55 0.00 0.00 175.35 177.74 1hxf s ILE 88 N -0.55 2.93 -0.11 5.43 1.01 -1.26 0.03 121.20 128.68 1hxf s ILE 88 Ca -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1hxf s ILE 88 Cb -0.02 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.25 1hxf s ILE 88 CO 0.03 0.53 -0.19 -0.31 0.00 0.00 0.00 174.94 175.00 1hxf s TYR 89 N 0.26 2.27 0.09 3.97 1.51 -0.41 -5.02 117.35 120.01 1hxf s TYR 89 Ca -0.10 -1.02 0.03 0.00 -1.01 0.00 0.00 57.07 54.98 1hxf s TYR 89 Cb -0.16 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1hxf s TYR 89 CO 0.06 -0.46 0.08 0.42 -1.11 0.00 0.00 175.55 174.54 1hxf s ILE 90 N 0.68 4.52 0.17 2.71 -1.09 -1.26 -1.19 121.20 125.74 1hxf s ILE 90 Ca -0.12 -0.81 -0.31 0.00 -2.23 0.00 0.00 60.65 57.18 1hxf s ILE 90 Cb -0.16 -3.19 -0.10 0.00 -1.58 0.00 0.00 42.46 37.43 1hxf s ILE 90 CO 0.03 0.10 1.55 -2.28 -1.23 0.00 0.00 174.94 173.11 1hxf s HIS 91 N -1.43 3.06 0.51 3.97 5.65 -1.05 -4.87 115.29 121.13 1hxf s HIS 91 Ca 0.29 0.67 0.22 0.00 0.25 0.00 0.00 55.06 56.49 1hxf s HIS 91 Cb -0.12 -3.92 1.30 0.00 -1.18 0.00 0.00 32.58 28.66 1hxf s HIS 91 CO 0.22 -3.34 2.01 -1.35 -0.65 0.00 0.00 174.74 171.63 1hxf h PRO 92 N 6.60 0.10 -0.46 2.88 0.10 -1.94 -1.93 132.00 137.34 1hxf h PRO 92 Ca -0.43 -0.01 -0.19 0.00 0.10 0.00 0.00 66.00 65.48 1hxf h PRO 92 Cb 1.21 -0.02 -0.11 0.00 0.10 0.00 0.00 31.00 32.17 1hxf h PRO 92 CO 0.90 0.06 0.08 0.54 0.10 0.00 0.00 178.00 179.68 1hxf n ARG 93 N -4.42 2.35 -1.65 1.05 1.74 -1.26 -5.00 116.66 109.47 1hxf n ARG 93 Ca 0.09 -3.07 -0.44 0.00 -0.77 0.00 0.00 57.85 53.65 1hxf n ARG 93 Cb 0.50 -1.92 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1hxf n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1hxf n TYR 94 N -0.88 1.87 -3.75 -1.55 9.36 -0.73 -4.67 117.16 116.81 1hxf n TYR 94 Ca 0.35 0.57 -0.36 0.00 3.32 0.00 0.00 57.90 61.78 1hxf n TYR 94 Cb 1.13 -2.37 -0.10 0.00 -0.63 0.00 0.00 39.34 37.37 1hxf n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1hxf s ASN 95 N -0.14 5.12 0.11 2.98 2.47 0.22 -4.87 114.94 120.82 1hxf s ASN 95 Ca 0.63 -2.92 0.25 0.00 0.42 0.00 0.00 52.86 51.24 1hxf s ASN 95 Cb -0.66 -1.83 0.54 0.00 -1.45 0.00 0.00 41.25 37.85 1hxf s ASN 95 CO 0.56 -0.34 1.48 -2.67 -3.72 0.00 0.00 177.10 172.41 1hxf n TRP 96 N 3.38 0.48 0.09 0.43 4.27 -1.26 0.13 117.44 124.96 1hxf n TRP 96 Ca 0.08 0.14 -0.22 0.00 -3.89 0.00 0.00 57.50 53.61 1hxf n TRP 96 Cb 0.37 -0.63 -0.13 0.00 -1.36 0.00 0.00 31.31 29.56 1hxf n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1hxf h ARG 97 N 0.00 0.60 0.00 -2.67 3.08 -1.99 -3.43 114.38 109.97 1hxf h ARG 97 Ca 0.00 -0.81 0.00 0.00 0.07 0.00 0.00 59.98 59.24 1hxf h ARG 97 Cb 0.68 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1hxf h ARG 97 CO 0.00 1.37 -0.53 -1.91 -1.07 0.00 0.00 179.97 177.83 1hxf n GLU 97 N -3.83 0.28 -0.13 0.04 2.13 -1.25 -4.98 120.64 112.90 1hxf n GLU 97 Ca -0.14 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1hxf n GLU 97 Cb 0.97 -0.96 0.00 0.00 0.27 0.00 0.00 31.44 31.73 1hxf n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1hxf n ASN 98 N -3.78 0.21 -2.47 4.31 0.23 -1.22 -4.96 115.26 107.58 1hxf n ASN 98 Ca -0.07 -1.38 -0.17 0.00 -0.53 0.00 0.00 54.58 52.43 1hxf n ASN 98 Cb 0.28 -0.06 0.04 0.00 -2.08 0.00 0.00 39.78 37.96 1hxf n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1hxf n LEU 99 N -0.07 -2.68 -4.75 -4.53 4.77 0.34 -4.98 117.00 105.10 1hxf n LEU 99 Ca 0.00 -0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.28 1hxf n LEU 99 Cb 0.54 -2.31 -0.03 0.00 -2.33 0.00 0.00 43.42 39.28 1hxf n LEU 99 CO 0.00 0.31 0.88 -0.62 -1.33 0.00 0.00 177.39 176.63 1hxf s ASP 100 N -3.00 7.08 -1.06 -1.43 2.15 -1.23 -3.26 116.67 115.92 1hxf s ASP 100 Ca 0.32 2.31 -0.04 0.00 0.43 0.00 0.00 52.55 55.57 1hxf s ASP 100 Cb -0.14 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1hxf s ASP 100 CO 0.39 -0.35 0.49 0.54 -0.17 0.00 0.00 175.17 176.07 1hxf n ARG 101 N 2.02 -3.74 -1.95 4.34 1.74 -1.26 0.68 116.66 118.48 1hxf n ARG 101 Ca 0.03 0.62 -0.25 0.00 -0.77 0.00 0.00 57.85 57.48 1hxf n ARG 101 Cb 0.44 -4.90 -0.07 0.00 -1.02 0.00 0.00 32.46 26.91 1hxf n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1hxf s ASP 102 N -2.87 4.71 -0.05 0.55 2.15 -1.20 -4.38 116.67 115.58 1hxf s ASP 102 Ca 0.24 -1.23 -0.15 0.00 0.43 0.00 0.00 52.55 51.84 1hxf s ASP 102 Cb -0.11 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1hxf s ASP 102 CO 0.30 -3.35 0.35 -0.51 -0.17 0.00 0.00 175.17 171.79 1hxf s ILE 103 N 12.10 0.04 -0.10 4.11 2.07 -1.26 -3.87 121.20 134.29 1hxf s ILE 103 Ca 0.72 -0.33 -0.21 0.00 -1.41 0.00 0.00 60.65 59.42 1hxf s ILE 103 Cb -0.04 -0.62 0.05 0.00 0.13 0.00 0.00 42.46 41.99 1hxf s ILE 103 CO 0.11 -0.18 0.51 0.00 -1.91 0.00 0.00 174.94 173.47 1hxf s ALA 104 N -0.95 -1.29 0.01 1.50 0.00 -0.87 -2.53 121.76 117.64 1hxf s ALA 104 Ca -0.10 1.08 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1hxf s ALA 104 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1hxf s ALA 104 CO 0.04 -0.29 -0.01 -0.51 0.00 0.00 0.00 175.76 174.99 1hxf s LEU 105 N -0.66 3.45 -0.11 0.00 1.43 -0.33 -1.99 118.68 120.47 1hxf s LEU 105 Ca -0.08 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1hxf s LEU 105 Cb -0.03 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1hxf s LEU 105 CO 0.05 0.26 -0.18 -0.04 0.23 0.00 0.00 176.35 176.66 1hxf s MET 106 N -1.66 2.55 -0.23 1.70 -1.94 0.04 -1.29 119.30 118.46 1hxf s MET 106 Ca 0.20 -0.69 -0.16 0.00 -1.71 0.00 0.00 55.69 53.34 1hxf s MET 106 Cb -0.11 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.61 1hxf s MET 106 CO 0.11 -0.00 0.40 0.21 -0.01 0.00 0.00 175.02 175.73 1hxf s LYS 107 N 0.80 4.12 0.35 2.03 2.20 0.11 -1.88 119.74 127.46 1hxf s LYS 107 Ca -0.09 0.16 -0.26 0.00 -0.36 0.00 0.00 55.97 55.42 1hxf s LYS 107 Cb -0.16 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.49 1hxf s LYS 107 CO 0.01 -0.14 1.00 -0.51 -0.36 0.00 0.00 175.35 175.35 1hxf s LEU 108 N 1.62 4.28 0.57 5.43 1.43 0.19 0.31 118.68 132.51 1hxf s LEU 108 Ca 0.18 1.95 0.28 0.00 -1.03 0.00 0.00 54.13 55.50 1hxf s LEU 108 Cb -0.15 -4.05 1.70 0.00 0.03 0.00 0.00 46.19 43.71 1hxf s LEU 108 CO 0.08 -0.24 2.21 0.50 0.23 0.00 0.00 176.35 179.14 1hxf h LYS 109 N 2.96 0.00 -2.18 1.70 1.63 0.13 -3.41 116.57 117.40 1hxf h LYS 109 Ca -0.47 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 1hxf h LYS 109 Cb 1.20 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.64 1hxf h LYS 109 CO 0.64 0.03 0.11 0.21 -3.45 0.00 0.00 179.45 176.98 1hxf s LYS 110 N -4.60 0.98 0.54 1.90 2.20 -1.26 -4.95 119.74 114.55 1hxf s LYS 110 Ca -0.05 0.22 -0.22 0.00 -0.36 0.00 0.00 55.97 55.57 1hxf s LYS 110 Cb 0.15 0.46 -0.05 0.00 -1.51 0.00 0.00 37.83 36.88 1hxf s LYS 110 CO 0.57 -0.29 1.32 -1.25 -0.36 0.00 0.00 175.35 175.34 1hxf s PRO 111 N -1.13 3.22 0.01 4.03 0.04 -1.26 -4.88 135.00 135.04 1hxf s PRO 111 Ca -0.11 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1hxf s PRO 111 Cb -0.01 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1hxf s PRO 111 CO 0.09 -1.10 0.22 0.54 0.04 0.00 0.00 177.00 176.79 1hxf s VAL 112 N -1.35 5.38 -0.08 -0.36 0.11 0.73 -5.02 120.40 119.81 1hxf s VAL 112 Ca 0.71 -0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 59.51 1hxf s VAL 112 Cb -0.38 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1hxf s VAL 112 CO 0.45 0.29 0.38 0.00 -3.33 0.00 0.00 175.10 172.90 1hxf s ALA 113 N -1.36 3.62 0.78 1.54 0.00 -1.26 -4.75 121.76 120.32 1hxf s ALA 113 Ca 0.29 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1hxf s ALA 113 Cb -0.13 -2.44 0.07 0.00 0.00 0.00 0.00 23.12 20.62 1hxf s ALA 113 CO 0.20 0.25 1.16 -0.06 0.00 0.00 0.00 175.76 177.31 1hxf s PHE 114 N -0.20 2.10 0.00 0.00 0.08 -1.26 -4.90 117.98 113.80 1hxf s PHE 114 Ca 0.22 1.64 0.00 0.00 0.12 0.00 0.00 56.93 58.91 1hxf s PHE 114 Cb -0.15 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 1hxf s PHE 114 CO 0.09 -2.40 0.00 -1.13 -0.10 0.00 0.00 175.22 171.69 1hxf n SER 115 N -3.26 0.00 0.22 1.36 3.41 0.48 -4.94 113.62 110.90 1hxf n SER 115 Ca 0.12 -0.90 0.05 0.00 -0.26 0.00 0.00 58.87 57.88 1hxf n SER 115 Cb 0.51 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.96 1hxf n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1hxf h ASP 116 N 0.00 0.00 -0.01 4.04 5.19 -1.99 -3.20 116.42 120.45 1hxf h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hxf h ASP 116 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1hxf h ASP 116 CO 0.00 0.20 -0.19 -1.22 -3.12 0.00 0.00 179.24 174.91 1hxf n TYR 117 N -4.29 0.00 -3.82 4.55 4.01 -1.26 -4.77 117.16 111.58 1hxf n TYR 117 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 1hxf n TYR 117 Cb 0.26 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.12 1hxf n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1hxf s ILE 118 N -1.32 0.83 -0.28 -0.72 1.01 -1.21 -3.89 121.20 115.61 1hxf s ILE 118 Ca 0.09 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 1hxf s ILE 118 Cb 0.08 -1.12 0.13 0.00 0.01 0.00 0.00 42.46 41.56 1hxf s ILE 118 CO 0.24 0.02 1.07 -2.28 0.00 0.00 0.00 174.94 174.00 1hxf s HIS 119 N 1.74 -0.43 0.54 3.97 2.46 0.67 -0.38 115.29 123.85 1hxf s HIS 119 Ca 0.00 1.05 -0.11 0.00 0.47 0.00 0.00 55.06 56.47 1hxf s HIS 119 Cb -0.16 0.37 -0.05 0.00 -0.13 0.00 0.00 32.58 32.62 1hxf s HIS 119 CO -0.07 -0.21 0.93 -1.25 -2.47 0.00 0.00 174.74 171.67 1hxf s PRO 120 N 0.24 3.68 0.23 2.88 0.04 -1.26 -1.59 135.00 139.22 1hxf s PRO 120 Ca 0.03 0.63 0.02 0.00 0.04 0.00 0.00 61.00 61.73 1hxf s PRO 120 Cb -0.05 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1hxf s PRO 120 CO -0.07 -0.35 0.38 0.54 0.04 0.00 0.00 177.00 177.54 1hxf s VAL 121 N -2.85 5.24 0.26 -0.36 0.11 -1.09 -4.92 120.40 116.78 1hxf s VAL 121 Ca 0.54 -0.70 -0.06 0.00 -2.93 0.00 0.00 61.98 58.82 1hxf s VAL 121 Cb -0.11 -3.81 -0.06 0.00 -1.53 0.00 0.00 36.38 30.88 1hxf s VAL 121 CO 0.44 -0.29 0.53 0.00 -3.33 0.00 0.00 175.10 172.45 1hxf s LEU 123 N -3.28 3.97 0.61 0.00 1.43 -1.26 -1.17 118.68 118.99 1hxf s LEU 123 Ca 0.44 0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 1hxf s LEU 123 Cb -0.11 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1hxf s LEU 123 CO 0.27 0.26 1.16 -2.16 0.23 0.00 0.00 176.35 176.11 1hxf s PRO 124 N -0.12 2.94 0.22 1.29 0.04 -1.26 -4.95 135.00 133.16 1hxf s PRO 124 Ca 0.08 1.64 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1hxf s PRO 124 Cb -0.12 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1hxf s PRO 124 CO 0.01 -1.19 0.00 0.16 0.04 0.00 0.00 177.00 176.02 1hxf s ASP 125 N -1.97 4.67 0.39 6.66 1.47 -1.26 -4.90 116.67 121.73 1hxf s ASP 125 Ca 0.73 -0.51 0.26 0.00 1.18 0.00 0.00 52.55 54.20 1hxf s ASP 125 Cb -0.26 -0.94 1.35 0.00 -0.34 0.00 0.00 42.92 42.74 1hxf s ASP 125 CO 0.35 0.04 1.49 -1.14 0.68 0.00 0.00 175.17 176.59 1hxf n ARG 126 N -0.51 -0.04 0.08 2.11 0.63 -1.26 -1.37 116.66 116.30 1hxf n ARG 126 Ca -0.08 1.24 -0.03 0.00 -0.92 0.00 0.00 57.85 58.06 1hxf n ARG 126 Cb 0.57 -2.35 -0.06 0.00 0.45 0.00 0.00 32.46 31.07 1hxf n ARG 126 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1hxf h GLU 127 N 0.00 0.00 -0.15 -0.14 9.09 -2.03 -1.32 114.58 120.03 1hxf h GLU 127 Ca 0.82 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.23 1hxf h GLU 127 Cb 2.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.54 1hxf h GLU 127 CO -0.57 0.68 0.00 2.41 0.05 0.00 0.00 179.01 181.57 1hxf n THR 128 N -3.22 0.00 0.00 -1.06 -1.04 -0.47 -1.64 114.28 106.85 1hxf n THR 128 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1hxf n THR 128 Cb 0.86 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1hxf n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hxf n ALA 129 N 0.02 0.00 0.04 2.41 0.00 -0.50 -0.77 120.51 121.71 1hxf n ALA 129 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1hxf n ALA 129 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 1hxf n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1hxf h SER 129 N 0.00 0.64 0.23 0.00 0.02 -1.58 -3.39 113.55 109.48 1hxf h SER 129 Ca 0.00 -0.47 -0.29 0.00 -0.84 0.00 0.00 61.79 60.18 1hxf h SER 129 Cb 0.00 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 1hxf h SER 129 CO 0.00 1.26 -2.04 0.18 -1.14 0.00 0.00 176.83 175.09 1hxf n LEU 129 N -3.82 0.36 -4.44 5.07 4.77 0.05 -4.71 117.00 114.28 1hxf n LEU 129 Ca -0.07 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.74 1hxf n LEU 129 Cb 0.79 0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 42.15 1hxf n LEU 129 CO 0.51 0.38 1.73 0.18 -1.33 0.00 0.00 177.39 178.86 1hxf n LEU 130 N -2.81 3.74 -4.12 2.23 4.77 -1.26 -4.80 117.00 114.75 1hxf n LEU 130 Ca -0.23 -3.35 -0.22 0.00 -0.03 0.00 0.00 56.01 52.18 1hxf n LEU 130 Cb 1.04 -1.67 -0.15 0.00 -2.33 0.00 0.00 43.42 40.32 1hxf n LEU 130 CO 0.44 -1.11 -0.48 -1.10 -1.33 0.00 0.00 177.39 173.81 1hxf s GLN 131 N 5.68 1.15 0.26 3.23 -0.21 -1.26 -4.98 119.66 123.53 1hxf s GLN 131 Ca 0.63 -0.54 -0.31 0.00 0.02 0.00 0.00 55.36 55.17 1hxf s GLN 131 Cb 0.03 -1.11 -0.13 0.00 1.00 0.00 0.00 33.01 32.80 1hxf s GLN 131 CO 0.11 0.30 1.49 0.00 -2.12 0.00 0.00 175.29 175.08 1hxf n ALA 132 N 2.64 1.74 0.00 6.09 0.00 -1.26 -0.83 120.51 128.89 1hxf n ALA 132 Ca -0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1hxf n ALA 132 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1hxf n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hxf n GLY 133 N 2.16 3.07 3.72 0.00 0.00 -0.04 -4.98 105.19 109.12 1hxf n GLY 133 Ca 0.10 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1hxf n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hxf s TYR 134 N -0.39 3.00 0.24 1.61 1.51 -0.01 -4.65 117.35 118.66 1hxf s TYR 134 Ca 0.00 0.56 -0.21 0.00 -1.01 0.00 0.00 57.07 56.41 1hxf s TYR 134 Cb 0.00 -3.96 -0.09 0.00 -0.11 0.00 0.00 41.96 37.80 1hxf s TYR 134 CO 0.00 -3.60 0.77 0.15 -1.11 0.00 0.00 175.55 171.76 1hxf s LYS 135 N 1.24 4.31 0.46 -0.62 1.02 -1.26 -1.22 119.74 123.68 1hxf s LYS 135 Ca 0.71 0.95 0.03 0.00 0.02 0.00 0.00 55.97 57.68 1hxf s LYS 135 Cb -0.44 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1hxf s LYS 135 CO 0.31 0.37 0.09 0.20 -0.92 0.00 0.00 175.35 175.40 1hxf s GLY 136 N -1.66 2.87 -0.04 -3.33 0.00 0.08 -4.87 107.32 100.37 1hxf s GLY 136 Ca 0.45 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.47 1hxf s GLY 136 CO 0.21 -1.98 -0.15 -1.60 0.00 0.00 0.00 173.10 169.58 1hxf s ARG 137 N -3.75 1.63 -0.03 2.90 3.52 0.01 -0.78 118.95 122.46 1hxf s ARG 137 Ca 0.14 -0.53 0.07 0.00 -0.13 0.00 0.00 55.73 55.28 1hxf s ARG 137 Cb 0.01 -1.42 -0.02 0.00 -1.56 0.00 0.00 34.95 31.96 1hxf s ARG 137 CO 0.10 0.20 -0.24 0.08 -0.81 0.00 0.00 175.30 174.62 1hxf s VAL 138 N 0.14 2.23 0.08 7.11 1.01 -0.90 -1.26 120.40 128.80 1hxf s VAL 138 Ca -0.05 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.92 1hxf s VAL 138 Cb -0.11 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1hxf s VAL 138 CO 0.02 0.58 -0.10 0.42 0.00 0.00 0.00 175.10 176.03 1hxf s THR 139 N -0.62 0.82 0.00 3.92 -4.23 -1.25 -2.38 115.64 111.89 1hxf s THR 139 Ca 0.10 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1hxf s THR 139 Cb -0.10 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1hxf s THR 139 CO -0.01 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1hxf n GLY 140 N 0.89 0.69 1.24 3.99 0.00 -0.97 -4.64 105.19 106.40 1hxf n GLY 140 Ca -0.19 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 44.91 1hxf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hxf n TRP 141 N -0.36 1.37 -1.58 1.61 8.01 -1.26 -1.66 117.44 123.58 1hxf n TRP 141 Ca 0.00 -1.08 -0.23 0.00 -1.31 0.00 0.00 57.50 54.88 1hxf n TRP 141 Cb 0.00 -0.44 0.17 0.00 -2.01 0.00 0.00 31.31 29.02 1hxf n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1hxf n GLY 142 N -0.49 -1.65 3.59 6.99 0.00 -1.26 -4.55 105.19 107.82 1hxf n GLY 142 Ca 0.28 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.18 1hxf n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hxf n ASN 143 N -3.81 1.44 -0.14 1.61 4.13 0.64 -3.63 115.26 115.51 1hxf n ASN 143 Ca 0.13 1.17 0.13 0.00 1.68 0.00 0.00 54.58 57.68 1hxf n ASN 143 Cb 0.45 -1.28 0.37 0.00 -1.54 0.00 0.00 39.78 37.78 1hxf n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1hxf n LEU 144 N 1.51 0.73 -3.74 3.41 4.77 0.31 -1.25 117.00 122.74 1hxf n LEU 144 Ca 0.11 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1hxf n LEU 144 Cb 0.30 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1hxf n LEU 144 CO 0.60 0.15 0.06 -0.75 -1.33 0.00 0.00 177.39 176.12 1hxf s LYS 145 N -2.69 0.46 0.00 3.23 2.20 -1.26 -4.44 119.74 117.24 1hxf s LYS 145 Ca 0.20 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1hxf s LYS 145 Cb 0.19 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1hxf s LYS 145 CO 0.58 -0.06 0.00 -1.91 -0.36 0.00 0.00 175.35 173.60 1hxf n GLU 146 N 2.81 0.00 0.00 4.03 2.13 -1.26 -4.92 120.64 123.43 1hxf n GLU 146 Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1hxf n GLU 146 Cb 0.57 -0.76 0.00 0.00 0.27 0.00 0.00 31.44 31.52 1hxf n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hxf n GLY 150 N 0.07 1.20 3.00 8.31 0.00 -1.26 -4.90 105.19 111.62 1hxf n GLY 150 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1hxf n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hxf s GLN 151 N 0.00 2.04 0.92 1.61 -0.21 -1.26 -0.53 119.66 122.23 1hxf s GLN 151 Ca 0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 55.36 54.80 1hxf s GLN 151 Cb 0.00 -1.87 0.14 0.00 1.00 0.00 0.00 33.01 32.29 1hxf s GLN 151 CO 0.00 -0.18 1.10 -1.25 -2.12 0.00 0.00 175.29 172.84 1hxf s PRO 152 N 1.35 1.03 -0.05 2.91 0.04 -1.26 -4.94 135.00 134.08 1hxf s PRO 152 Ca 0.00 1.07 0.18 0.00 0.04 0.00 0.00 61.00 62.30 1hxf s PRO 152 Cb -0.13 -1.76 -0.22 0.00 0.04 0.00 0.00 34.50 32.42 1hxf s PRO 152 CO -0.07 -2.47 0.49 0.45 0.04 0.00 0.00 177.00 175.45 1hxf n SER 153 N -4.07 0.37 -4.14 6.66 2.88 -1.26 -4.80 113.62 109.26 1hxf n SER 153 Ca 0.08 0.16 -0.12 0.00 -1.33 0.00 0.00 58.87 57.67 1hxf n SER 153 Cb 0.54 0.87 -0.10 0.00 -0.75 0.00 0.00 64.21 64.76 1hxf n SER 153 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1hxf s VAL 154 N -2.92 0.67 -0.22 2.46 0.11 -1.26 -2.23 120.40 117.01 1hxf s VAL 154 Ca -0.06 -1.66 -0.41 0.00 -2.93 0.00 0.00 61.98 56.92 1hxf s VAL 154 Cb 0.09 -1.34 -0.17 0.00 -1.53 0.00 0.00 36.38 33.43 1hxf s VAL 154 CO 0.84 -0.70 1.57 -0.11 -3.33 0.00 0.00 175.10 173.37 1hxf n LEU 155 N 0.45 1.80 -4.94 2.54 7.94 -0.63 -4.86 117.00 119.29 1hxf n LEU 155 Ca -0.16 1.11 -0.19 0.00 -1.11 0.00 0.00 56.01 55.66 1hxf n LEU 155 Cb 0.59 -1.08 -0.01 0.00 0.53 0.00 0.00 43.42 43.44 1hxf n LEU 155 CO 0.27 -0.77 0.03 -1.10 -1.11 0.00 0.00 177.39 174.71 1hxf s GLN 156 N 2.47 2.89 0.04 1.96 -1.52 -0.66 0.10 119.66 124.93 1hxf s GLN 156 Ca 0.96 -1.19 -0.06 0.00 -1.95 0.00 0.00 55.36 53.12 1hxf s GLN 156 Cb -1.14 -2.66 -0.01 0.00 -0.22 0.00 0.00 33.01 28.98 1hxf s GLN 156 CO 0.64 -0.01 0.11 0.08 -0.25 0.00 0.00 175.29 175.85 1hxf s VAL 157 N -2.28 0.13 -0.14 1.09 1.01 0.34 -2.29 120.40 118.26 1hxf s VAL 157 Ca 0.46 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1hxf s VAL 157 Cb -0.08 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.41 1hxf s VAL 157 CO 0.30 -0.60 0.47 0.54 0.00 0.00 0.00 175.10 175.81 1hxf s VAL 158 N -2.71 0.01 -0.17 2.92 0.11 -1.00 -0.67 120.40 118.88 1hxf s VAL 158 Ca -0.04 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.83 1hxf s VAL 158 Cb -0.01 -0.70 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1hxf s VAL 158 CO -0.05 -0.05 0.15 0.20 -3.33 0.00 0.00 175.10 172.02 1hxf s ASN 159 N -0.18 6.28 0.00 3.54 0.01 -1.26 -2.12 114.94 121.21 1hxf s ASN 159 Ca -0.04 0.32 -0.03 0.00 -0.71 0.00 0.00 52.86 52.41 1hxf s ASN 159 Cb -0.03 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 1hxf s ASN 159 CO 0.02 0.24 0.05 -0.76 -1.51 0.00 0.00 177.10 175.14 1hxf s LEU 160 N -0.02 1.88 0.22 0.60 1.43 0.04 -4.94 118.68 117.89 1hxf s LEU 160 Ca 0.11 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1hxf s LEU 160 Cb -0.11 0.32 -0.08 0.00 0.03 0.00 0.00 46.19 46.35 1hxf s LEU 160 CO 0.00 -0.25 0.97 -2.16 0.23 0.00 0.00 176.35 175.14 1hxf s PRO 161 N -1.04 4.79 0.18 1.29 0.04 -1.26 -0.75 135.00 138.26 1hxf s PRO 161 Ca -0.11 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1hxf s PRO 161 Cb -0.07 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 1hxf s PRO 161 CO 0.00 0.40 1.31 0.42 0.04 0.00 0.00 177.00 179.17 1hxf s ILE 162 N -0.89 3.28 0.11 0.56 1.01 -0.35 -1.09 121.20 123.83 1hxf s ILE 162 Ca 0.43 1.03 0.03 0.00 0.00 0.00 0.00 60.65 62.14 1hxf s ILE 162 Cb -0.26 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1hxf s ILE 162 CO 0.33 0.14 0.16 -0.69 0.00 0.00 0.00 174.94 174.88 1hxf s VAL 163 N 0.26 4.86 0.24 2.92 1.01 -0.87 -0.86 120.40 127.95 1hxf s VAL 163 Ca 0.57 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 1hxf s VAL 163 Cb -0.36 -3.42 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 1hxf s VAL 163 CO 0.37 0.02 1.69 -1.61 0.00 0.00 0.00 175.10 175.57 1hxf s GLU 164 N -2.78 4.12 0.21 2.72 8.01 -1.26 -4.60 118.70 125.13 1hxf s GLU 164 Ca 0.32 2.61 -0.08 0.00 0.01 0.00 0.00 54.97 57.83 1hxf s GLU 164 Cb -0.12 -3.05 0.33 0.00 -4.31 0.00 0.00 34.13 26.98 1hxf s GLU 164 CO 0.25 -0.72 1.24 -2.13 0.01 0.00 0.00 175.26 173.91 1hxf n ARG 165 N 3.39 -0.10 -0.01 1.61 0.63 -1.26 -2.15 116.66 118.76 1hxf n ARG 165 Ca 0.13 1.24 -0.12 0.00 -0.92 0.00 0.00 57.85 58.18 1hxf n ARG 165 Cb 0.36 -1.85 -0.07 0.00 0.45 0.00 0.00 32.46 31.35 1hxf n ARG 165 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1hxf h PRO 166 N 0.00 0.11 -0.99 -0.14 0.11 -2.00 -1.41 132.00 127.68 1hxf h PRO 166 Ca 0.36 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 66.61 1hxf h PRO 166 Cb 0.56 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.55 1hxf h PRO 166 CO -0.81 0.31 0.60 0.28 -0.21 0.00 0.00 178.00 178.17 1hxf h VAL 167 N -0.11 0.76 0.16 3.15 2.07 -1.81 -2.49 116.25 117.98 1hxf h VAL 167 Ca 0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1hxf h VAL 167 Cb 0.26 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1hxf h VAL 167 CO 0.00 0.15 -0.08 0.00 0.02 0.00 0.00 177.57 177.66 1hxf h LYS 169 N -0.28 0.74 0.00 0.00 1.57 -0.91 -2.57 116.57 115.13 1hxf h LYS 169 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1hxf h LYS 169 Cb 0.22 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1hxf h LYS 169 CO 0.04 0.49 0.00 -0.25 -0.57 0.00 0.00 179.45 179.16 1hxf n ASP 170 N -4.76 0.31 0.04 0.86 9.92 -0.97 -2.53 116.55 119.42 1hxf n ASP 170 Ca 0.12 0.58 0.11 0.00 -0.53 0.00 0.00 54.79 55.08 1hxf n ASP 170 Cb 0.25 -0.65 0.03 0.00 -0.64 0.00 0.00 41.12 40.11 1hxf n ASP 170 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1hxf n SER 171 N -1.85 0.62 -3.69 -2.24 3.41 -0.97 -4.99 113.62 103.91 1hxf n SER 171 Ca 0.02 -0.07 -0.17 0.00 -0.26 0.00 0.00 58.87 58.39 1hxf n SER 171 Cb 0.18 0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 64.78 1hxf n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1hxf s THR 172 N -3.24 0.01 -1.14 6.66 -1.32 -1.05 -4.85 115.64 110.71 1hxf s THR 172 Ca 0.03 -2.00 0.19 0.00 -1.21 0.00 0.00 61.69 58.70 1hxf s THR 172 Cb 0.13 -2.50 -0.15 0.00 -1.51 0.00 0.00 72.50 68.47 1hxf s THR 172 CO 0.80 0.00 0.86 0.54 -2.21 0.00 0.00 174.62 174.60 1hxf n ARG 173 N -0.49 0.91 -2.57 7.08 1.74 -1.26 -4.90 116.66 117.18 1hxf n ARG 173 Ca 0.05 -0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 1hxf n ARG 173 Cb 0.64 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.64 1hxf n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1hxf s ILE 174 N -2.65 4.02 -0.52 0.55 1.01 -1.26 -4.99 121.20 117.36 1hxf s ILE 174 Ca 0.10 1.73 -0.27 0.00 0.00 0.00 0.00 60.65 62.20 1hxf s ILE 174 Cb 0.15 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1hxf s ILE 174 CO 0.71 0.29 1.79 -0.60 0.00 0.00 0.00 174.94 177.13 1hxf s ARG 175 N -0.28 2.91 -0.06 2.79 3.52 -1.26 -5.00 118.95 121.57 1hxf s ARG 175 Ca 0.49 0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 56.64 1hxf s ARG 175 Cb -0.28 -4.30 -0.02 0.00 -1.56 0.00 0.00 34.95 28.79 1hxf s ARG 175 CO 0.34 -2.38 0.94 0.42 -0.81 0.00 0.00 175.30 173.81 1hxf s ILE 176 N 8.09 4.86 0.55 4.11 -1.09 -1.26 -4.84 121.20 131.62 1hxf s ILE 176 Ca 0.69 1.94 0.08 0.00 -2.23 0.00 0.00 60.65 61.14 1hxf s ILE 176 Cb -0.15 -4.27 0.06 0.00 -1.58 0.00 0.00 42.46 36.52 1hxf s ILE 176 CO 0.25 0.10 0.63 0.42 -1.23 0.00 0.00 174.94 175.12 1hxf s THR 177 N 1.46 2.01 0.04 2.92 -4.23 -1.26 -5.01 115.64 111.57 1hxf s THR 177 Ca 0.48 -1.19 0.33 0.00 -1.18 0.00 0.00 61.69 60.13 1hxf s THR 177 Cb -0.19 -2.20 0.38 0.00 1.34 0.00 0.00 72.50 71.83 1hxf s THR 177 CO 0.22 0.00 1.95 0.44 -0.54 0.00 0.00 174.62 176.69 1hxf h ASP 178 N 0.43 0.00 -0.16 3.99 3.32 -2.02 -2.63 116.42 119.34 1hxf h ASP 178 Ca -0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1hxf h ASP 178 Cb 1.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1hxf h ASP 178 CO 0.47 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.59 1hxf n ASN 179 N -3.01 2.35 -4.25 6.45 3.02 -1.26 -4.89 115.26 113.68 1hxf n ASN 179 Ca 0.01 -2.27 -0.14 0.00 -0.03 0.00 0.00 54.58 52.15 1hxf n ASN 179 Cb 0.30 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 1hxf n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1hxf s MET 180 N -1.48 1.11 -0.00 3.52 -1.94 -0.99 -1.01 119.30 118.50 1hxf s MET 180 Ca 0.15 -1.52 -0.22 0.00 -1.71 0.00 0.00 55.69 52.39 1hxf s MET 180 Cb 0.12 -0.38 0.04 0.00 2.01 0.00 0.00 34.83 36.63 1hxf s MET 180 CO 0.04 -0.08 0.48 -0.59 -0.01 0.00 0.00 175.02 174.87 1hxf s PHE 181 N -3.56 -0.39 0.32 -0.03 -0.12 -1.01 -4.80 117.98 108.39 1hxf s PHE 181 Ca 0.22 0.55 0.10 0.00 -0.05 0.00 0.00 56.93 57.75 1hxf s PHE 181 Cb 0.05 0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.65 1hxf s PHE 181 CO 0.03 -0.54 -0.06 0.00 -0.05 0.00 0.00 175.22 174.60 1hxf s ALA 183 N -2.52 -0.95 0.00 0.00 0.00 0.12 -2.06 121.76 116.35 1hxf s ALA 183 Ca 0.33 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1hxf s ALA 183 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1hxf s ALA 183 CO 0.18 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1hxf n GLY 184 N 1.41 2.27 3.79 0.00 0.00 -0.25 -1.82 105.19 110.59 1hxf n GLY 184 Ca -0.20 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1hxf n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hxf s TYR 184 N -1.92 3.82 0.64 1.61 2.02 -1.26 -4.45 117.35 117.80 1hxf s TYR 184 Ca 0.00 1.36 -0.15 0.00 -0.37 0.00 0.00 57.07 57.91 1hxf s TYR 184 Cb 0.00 -2.59 -0.01 0.00 -0.40 0.00 0.00 41.96 38.96 1hxf s TYR 184 CO 0.00 0.53 1.11 0.15 -1.57 0.00 0.00 175.55 175.77 1hxf s LYS 185 N -0.96 2.91 0.46 -0.62 -0.14 -1.26 -4.81 119.74 115.32 1hxf s LYS 185 Ca 0.31 1.39 0.32 0.00 -1.36 0.00 0.00 55.97 56.63 1hxf s LYS 185 Cb -0.20 -1.97 1.51 0.00 -1.68 0.00 0.00 37.83 35.49 1hxf s LYS 185 CO 0.21 -1.16 1.95 -1.00 -0.76 0.00 0.00 175.35 174.59 1hxf h PRO 186 N 0.18 0.00 0.05 -1.68 0.14 -1.97 -1.78 132.00 126.95 1hxf h PRO 186 Ca -0.47 0.00 -0.28 0.00 0.14 0.00 0.00 66.00 65.39 1hxf h PRO 186 Cb 1.24 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.36 1hxf h PRO 186 CO 0.55 0.00 -1.47 0.38 0.14 0.00 0.00 178.00 177.60 1hxf h ASP 186 N 0.00 0.18 0.00 1.44 3.04 -1.95 -3.23 116.42 115.90 1hxf h ASP 186 Ca 0.00 -0.27 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1hxf h ASP 186 Cb 0.24 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 1hxf h ASP 186 CO 0.00 1.22 0.03 -0.33 -2.04 0.00 0.00 179.24 178.12 1hxf h GLU 186 N 0.03 0.00 -6.09 4.15 5.08 -1.68 -3.45 114.58 112.61 1hxf h GLU 186 Ca -0.20 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.75 1hxf h GLU 186 Cb 1.95 0.00 0.09 0.00 0.50 0.00 0.00 28.75 31.30 1hxf h GLU 186 CO 0.13 0.00 -0.91 0.41 -1.00 0.00 0.00 179.01 177.64 1hxf n GLY 186 N -1.13 -0.87 3.14 -3.84 0.00 -1.22 -5.01 105.19 96.26 1hxf n GLY 186 Ca -0.03 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 1hxf n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxf s LYS 186 N -5.75 0.54 0.10 1.61 1.02 -1.26 -5.16 119.74 110.84 1hxf s LYS 186 Ca 0.37 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1hxf s LYS 186 Cb -0.12 0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1hxf s LYS 186 CO 0.84 -0.13 0.04 0.54 -0.92 0.00 0.00 175.35 175.71 1hxf n ARG 187 N 1.40 0.82 0.00 1.68 1.74 -1.26 -4.73 116.66 116.31 1hxf n ARG 187 Ca -0.22 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 1hxf n ARG 187 Cb 0.56 0.46 0.00 0.00 -1.02 0.00 0.00 32.46 32.46 1hxf n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hxf n GLY 188 N 1.52 4.27 3.62 -0.13 0.00 -1.21 -4.92 105.19 108.33 1hxf n GLY 188 Ca -0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 1hxf n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hxf s ASP 189 N 0.00 -0.09 1.26 1.61 2.15 -0.38 -4.80 116.67 116.43 1hxf s ASP 189 Ca 0.00 0.01 -0.19 0.00 0.43 0.00 0.00 52.55 52.80 1hxf s ASP 189 Cb 0.00 0.09 0.31 0.00 -0.30 0.00 0.00 42.92 43.02 1hxf s ASP 189 CO 0.00 -0.14 1.03 0.00 -0.17 0.00 0.00 175.17 175.89 1hxf s ALA 190 N -2.11 -0.04 0.10 3.66 0.00 -1.26 -0.04 121.76 122.07 1hxf s ALA 190 Ca 0.10 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 1hxf s ALA 190 Cb -0.01 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 20.21 1hxf s ALA 190 CO -0.04 -3.94 1.14 0.00 0.00 0.00 0.00 175.76 172.91 1hxf n GLU 192 N -0.75 0.31 0.00 0.00 -0.58 -1.26 -0.60 120.64 117.76 1hxf n GLU 192 Ca -0.01 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1hxf n GLU 192 Cb 0.59 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1hxf n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hxf n GLY 193 N 3.23 3.13 0.18 0.62 0.00 -1.26 0.23 105.19 111.32 1hxf n GLY 193 Ca 0.26 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.35 1hxf n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hxf h ASP 194 N 0.08 0.00 -2.07 1.61 3.32 -1.19 -3.31 116.42 114.87 1hxf h ASP 194 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1hxf h ASP 194 Cb 0.00 0.00 0.19 0.00 0.22 0.00 0.00 39.33 39.74 1hxf h ASP 194 CO 0.00 0.29 -1.18 -0.24 -1.72 0.00 0.00 179.24 176.38 1hxf n SER 195 N -3.18 -3.76 0.00 6.45 2.88 -1.26 -1.50 113.62 113.25 1hxf n SER 195 Ca 0.03 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1hxf n SER 195 Cb 0.64 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1hxf n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hxf n GLY 196 N 2.57 0.99 3.95 0.46 0.00 0.15 -1.02 105.19 112.29 1hxf n GLY 196 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1hxf n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hxf s GLY 197 N -2.00 1.77 0.23 -0.02 0.00 -0.56 -3.02 107.32 103.72 1hxf s GLY 197 Ca 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 1hxf s GLY 197 CO 0.00 -0.62 0.65 2.56 0.00 0.00 0.00 173.10 175.68 1hxf s PRO 198 N -5.70 4.04 -0.29 2.90 0.04 -1.26 -0.12 135.00 134.60 1hxf s PRO 198 Ca 0.72 0.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1hxf s PRO 198 Cb -0.04 -2.75 0.05 0.00 0.04 0.00 0.00 34.50 31.81 1hxf s PRO 198 CO 0.51 0.35 -0.02 0.12 0.04 0.00 0.00 177.00 178.00 1hxf s PHE 199 N -1.67 3.28 0.25 0.56 2.19 -0.18 -3.88 117.98 118.52 1hxf s PHE 199 Ca 0.45 -1.98 0.12 0.00 0.33 0.00 0.00 56.93 55.85 1hxf s PHE 199 Cb -0.14 -2.10 -0.05 0.00 -1.31 0.00 0.00 43.02 39.42 1hxf s PHE 199 CO 0.20 -0.82 -0.21 0.14 1.83 0.00 0.00 175.22 176.35 1hxf s VAL 200 N 1.22 2.46 0.10 3.12 -7.23 -0.39 0.23 120.40 119.90 1hxf s VAL 200 Ca -0.06 -2.25 0.02 0.00 -1.81 0.00 0.00 61.98 57.89 1hxf s VAL 200 Cb -0.20 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1hxf s VAL 200 CO -0.02 -0.29 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.37 1hxf s MET 201 N -3.19 0.84 -0.21 4.82 -1.94 -0.59 -0.81 119.30 118.22 1hxf s MET 201 Ca 0.26 -1.28 -0.07 0.00 -1.71 0.00 0.00 55.69 52.90 1hxf s MET 201 Cb -0.06 -0.32 -0.03 0.00 2.01 0.00 0.00 34.83 36.43 1hxf s MET 201 CO 0.13 0.02 0.06 0.21 -0.01 0.00 0.00 175.02 175.42 1hxf s LYS 202 N -3.48 3.81 -0.02 2.03 2.20 -1.26 0.22 119.74 123.23 1hxf s LYS 202 Ca 0.10 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1hxf s LYS 202 Cb 0.02 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 1hxf s LYS 202 CO -0.03 0.07 1.51 0.45 -0.36 0.00 0.00 175.35 176.99 1hxf s SER 203 N 0.92 6.76 0.34 1.43 0.15 0.11 -4.89 113.70 118.51 1hxf s SER 203 Ca 0.03 2.17 0.26 0.00 0.70 0.00 0.00 55.95 59.12 1hxf s SER 203 Cb -0.14 -2.55 1.13 0.00 -1.71 0.00 0.00 66.02 62.75 1hxf s SER 203 CO 0.03 -0.82 1.79 1.55 1.20 0.00 0.00 173.24 176.98 1hxf h PRO 204 N 8.53 0.00 0.00 5.44 0.13 -1.97 0.29 132.00 144.42 1hxf h PRO 204 Ca -0.38 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.54 1hxf h PRO 204 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1hxf h PRO 204 CO 0.93 0.00 -1.16 0.74 -0.23 0.00 0.00 178.00 178.28 1hxf h PHE 204 N 0.00 0.00 -0.05 1.56 0.04 -1.97 -3.42 116.94 113.11 1hxf h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1hxf h PHE 204 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1hxf h PHE 204 CO 0.00 1.45 0.00 0.27 -0.60 0.00 0.00 178.31 179.43 1hxf n ASN 204 N -4.45 1.77 -0.33 2.17 2.04 -1.24 -4.99 115.26 110.23 1hxf n ASN 204 Ca -0.30 -1.59 -0.04 0.00 -0.44 0.00 0.00 54.58 52.20 1hxf n ASN 204 Cb 0.66 -0.03 -0.02 0.00 -2.53 0.00 0.00 39.78 37.86 1hxf n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1hxf n ASN 205 N -0.06 -4.38 -4.90 0.53 4.13 0.09 -5.00 115.26 105.67 1hxf n ASN 205 Ca 0.02 0.11 -0.30 0.00 1.68 0.00 0.00 54.58 56.09 1hxf n ASN 205 Cb 0.19 -2.26 -0.04 0.00 -1.54 0.00 0.00 39.78 36.13 1hxf n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1hxf s ARG 206 N -1.77 3.66 -0.05 3.52 0.52 -1.25 -4.78 118.95 118.79 1hxf s ARG 206 Ca 0.00 0.00 -0.21 0.00 -0.52 0.00 0.00 55.73 55.00 1hxf s ARG 206 Cb 0.00 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1hxf s ARG 206 CO 0.00 0.36 0.61 -1.58 0.02 0.00 0.00 175.30 174.71 1hxf s TRP 207 N -1.83 3.60 -0.07 -0.53 0.52 -1.26 0.04 118.94 119.41 1hxf s TRP 207 Ca 0.43 1.15 0.06 0.00 0.02 0.00 0.00 56.10 57.76 1hxf s TRP 207 Cb -0.11 -2.67 -0.01 0.00 -1.15 0.00 0.00 33.47 29.52 1hxf s TRP 207 CO 0.26 0.21 -0.24 0.71 0.02 0.00 0.00 176.95 177.90 1hxf s TYR 208 N 0.38 2.48 -0.43 -1.98 2.02 0.13 -2.61 117.35 117.34 1hxf s TYR 208 Ca 0.32 -0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 1hxf s TYR 208 Cb -0.17 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 1hxf s TYR 208 CO 0.16 -0.23 1.24 -1.14 -1.57 0.00 0.00 175.55 174.01 1hxf s GLN 209 N -0.10 3.71 -0.09 -0.62 0.74 -0.32 -1.54 119.66 121.44 1hxf s GLN 209 Ca -0.05 0.78 -0.00 0.00 0.05 0.00 0.00 55.36 56.14 1hxf s GLN 209 Cb -0.14 -3.93 -0.25 0.00 1.10 0.00 0.00 33.01 29.78 1hxf s GLN 209 CO 0.04 -1.39 0.46 -1.33 -0.55 0.00 0.00 175.29 172.52 1hxf n MET 210 N 7.82 0.72 -4.42 1.67 2.81 0.13 -4.48 117.12 121.37 1hxf n MET 210 Ca 0.14 0.27 -0.21 0.00 -1.81 0.00 0.00 57.70 56.09 1hxf n MET 210 Cb 0.48 -1.74 -0.09 0.00 -0.71 0.00 0.00 33.22 31.16 1hxf n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1hxf s GLY 211 N -5.43 2.19 -0.07 3.03 0.00 -0.98 -2.47 107.32 103.59 1hxf s GLY 211 Ca -0.16 -1.69 0.03 0.00 0.00 0.00 0.00 44.72 42.90 1hxf s GLY 211 CO 0.79 -1.72 -0.16 -0.42 0.00 0.00 0.00 173.10 171.59 1hxf s ILE 212 N -3.43 1.41 -0.11 0.90 1.01 -0.98 -1.01 121.20 119.00 1hxf s ILE 212 Ca 0.32 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 1hxf s ILE 212 Cb 0.06 -1.26 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 1hxf s ILE 212 CO 0.15 0.42 2.10 0.52 0.00 0.00 0.00 174.94 178.13 1hxf n VAL 213 N 3.68 0.53 0.00 2.92 0.31 0.83 -1.40 118.33 125.20 1hxf n VAL 213 Ca -0.21 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1hxf n VAL 213 Cb 0.52 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1hxf n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1hxf n SER 214 N 9.54 0.00 -3.92 4.52 2.88 -0.65 -0.68 113.62 125.32 1hxf n SER 214 Ca 0.26 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.71 1hxf n SER 214 Cb 0.41 -0.19 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 1hxf n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1hxf s TRP 215 N -0.83 0.26 0.27 0.66 1.48 -0.79 -4.83 118.94 115.15 1hxf s TRP 215 Ca 0.00 -0.64 -0.20 0.00 -1.06 0.00 0.00 56.10 54.19 1hxf s TRP 215 Cb 0.00 0.31 0.06 0.00 -1.16 0.00 0.00 33.47 32.68 1hxf s TRP 215 CO 0.00 -1.07 0.88 0.20 -4.06 0.00 0.00 176.95 172.91 1hxf s GLY 216 N -3.00 0.10 -0.41 3.67 0.00 -1.26 -0.20 107.32 106.21 1hxf s GLY 216 Ca 0.20 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.56 1hxf s GLY 216 CO 0.09 0.58 0.16 -0.54 0.00 0.00 0.00 173.10 173.39 1hxf s GLU 217 N -2.72 1.55 1.43 2.90 2.02 -1.26 -4.99 118.70 117.62 1hxf s GLU 217 Ca 0.16 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.07 1hxf s GLU 217 Cb -0.04 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1hxf s GLU 217 CO 0.07 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1hxf n GLY 219 N 3.81 -1.67 2.81 -1.39 0.00 -1.26 -4.64 105.19 102.85 1hxf n GLY 219 Ca 0.04 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 1hxf n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxf n ASP 221 N 5.07 -5.58 -4.80 0.00 2.03 -1.26 -4.54 116.55 107.47 1hxf n ASP 221 Ca -0.09 -0.61 -0.36 0.00 0.52 0.00 0.00 54.79 54.25 1hxf n ASP 221 Cb 0.50 -4.74 -0.06 0.00 -0.72 0.00 0.00 41.12 36.09 1hxf n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1hxf s ARG 221 N -6.32 4.36 0.38 -0.67 1.81 -1.26 -4.96 118.95 112.30 1hxf s ARG 221 Ca 0.55 1.02 -0.25 0.00 -1.72 0.00 0.00 55.73 55.33 1hxf s ARG 221 Cb -0.25 -2.86 -0.09 0.00 -0.45 0.00 0.00 34.95 31.30 1hxf s ARG 221 CO 0.76 0.36 1.11 -0.51 -0.68 0.00 0.00 175.30 176.34 1hxf s ASP 222 N -1.63 6.70 -0.44 0.23 1.01 -1.26 -2.49 116.67 118.79 1hxf s ASP 222 Ca 0.45 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.93 1hxf s ASP 222 Cb -0.17 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1hxf s ASP 222 CO 0.22 -0.54 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1hxf n GLY 223 N 0.60 0.59 3.46 0.21 0.00 -1.26 -5.01 105.19 103.77 1hxf n GLY 223 Ca 0.04 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1hxf n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxf s LYS 224 N -1.80 1.64 0.28 1.61 -0.14 -1.04 -4.81 119.74 115.48 1hxf s LYS 224 Ca 0.00 -1.65 0.04 0.00 -1.36 0.00 0.00 55.97 52.99 1hxf s LYS 224 Cb 0.00 -1.82 -0.06 0.00 -1.68 0.00 0.00 37.83 34.28 1hxf s LYS 224 CO 0.00 0.36 0.03 0.71 -0.76 0.00 0.00 175.35 175.69 1hxf s TYR 225 N -2.15 1.75 0.09 3.18 2.02 -1.26 -4.67 117.35 116.31 1hxf s TYR 225 Ca 0.26 -0.96 -0.13 0.00 -0.37 0.00 0.00 57.07 55.87 1hxf s TYR 225 Cb -0.06 -1.07 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 1hxf s TYR 225 CO 0.13 -0.04 0.47 0.20 -1.57 0.00 0.00 175.55 174.74 1hxf s GLY 226 N -3.39 2.43 -0.11 0.71 0.00 -0.76 -4.53 107.32 101.67 1hxf s GLY 226 Ca 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 1hxf s GLY 226 CO 0.12 0.05 -0.01 -1.36 0.00 0.00 0.00 173.10 171.90 1hxf s PHE 227 N -1.35 3.10 -0.00 1.90 0.40 0.72 -0.70 117.98 122.05 1hxf s PHE 227 Ca 0.33 0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.73 1hxf s PHE 227 Cb -0.15 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 1hxf s PHE 227 CO 0.18 0.29 -0.13 0.71 0.70 0.00 0.00 175.22 176.97 1hxf s TYR 228 N -0.46 1.19 0.18 0.36 1.51 -0.37 -1.64 117.35 118.12 1hxf s TYR 228 Ca 0.08 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.60 1hxf s TYR 228 Cb -0.12 -0.76 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 1hxf s TYR 228 CO 0.02 -0.01 1.30 0.99 -1.11 0.00 0.00 175.55 176.74 1hxf s THR 229 N -0.37 3.31 -0.92 -0.71 2.01 -0.49 -2.40 115.64 116.06 1hxf s THR 229 Ca 0.05 1.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.85 1hxf s THR 229 Cb -0.05 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.81 1hxf s THR 229 CO -0.00 0.14 1.51 -2.28 -0.69 0.00 0.00 174.62 173.30 1hxf s HIS 230 N 0.28 2.32 0.17 4.92 2.46 -0.18 -2.32 115.29 122.94 1hxf s HIS 230 Ca 0.57 -0.37 -0.16 0.00 0.47 0.00 0.00 55.06 55.58 1hxf s HIS 230 Cb -0.36 -4.55 0.11 0.00 -0.13 0.00 0.00 32.58 27.64 1hxf s HIS 230 CO 0.36 -1.96 1.71 0.28 -2.47 0.00 0.00 174.74 172.66 1hxf h VAL 231 N 6.71 0.74 -0.38 0.89 2.07 -1.80 -2.01 116.25 122.47 1hxf h VAL 231 Ca 0.06 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1hxf h VAL 231 Cb 1.03 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1hxf h VAL 231 CO 1.35 0.03 0.25 0.15 0.02 0.00 0.00 177.57 179.37 1hxf h PHE 232 N 0.14 0.48 -0.09 1.57 3.57 -1.87 -1.02 116.94 119.72 1hxf h PHE 232 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1hxf h PHE 232 Cb 0.26 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1hxf h PHE 232 CO -0.24 0.30 0.13 0.00 -2.23 0.00 0.00 178.31 176.27 1hxf h ARG 233 N 0.51 0.00 -0.54 1.11 3.08 -1.75 0.14 114.38 116.94 1hxf h ARG 233 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1hxf h ARG 233 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1hxf h ARG 233 CO -0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.15 1hxf n LEU 234 N -3.58 4.39 -0.04 3.04 4.77 -0.48 -4.65 117.00 120.45 1hxf n LEU 234 Ca -0.01 -2.49 0.05 0.00 -0.03 0.00 0.00 56.01 53.53 1hxf n LEU 234 Cb 0.23 -0.52 0.42 0.00 -2.33 0.00 0.00 43.42 41.21 1hxf n LEU 234 CO 0.25 0.77 1.18 0.50 -1.33 0.00 0.00 177.39 178.76 1hxf h LYS 235 N 3.40 0.56 0.00 3.23 3.64 0.26 -2.52 116.57 125.14 1hxf h LYS 235 Ca 0.00 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1hxf h LYS 235 Cb 1.36 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1hxf h LYS 235 CO 0.21 0.37 -0.54 0.87 -2.27 0.00 0.00 179.45 178.09 1hxf h LYS 236 N 0.58 0.00 -0.45 1.90 6.56 -1.82 -0.69 116.57 122.64 1hxf h LYS 236 Ca 0.19 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.65 1hxf h LYS 236 Cb 0.05 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1hxf h LYS 236 CO -0.05 0.54 -0.24 2.35 -2.06 0.00 0.00 179.45 180.00 1hxf h TRP 237 N 0.00 1.09 0.58 -1.35 7.01 -1.81 -2.05 115.95 119.42 1hxf h TRP 237 Ca -0.01 -0.27 -0.02 0.00 2.11 0.00 0.00 58.89 60.70 1hxf h TRP 237 Cb 1.14 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1hxf h TRP 237 CO 0.00 1.08 -0.37 0.82 -2.79 0.00 0.00 178.44 177.18 1hxf h ILE 238 N 0.81 0.25 -0.31 2.65 2.04 -1.26 -2.11 117.51 119.59 1hxf h ILE 238 Ca 0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 1hxf h ILE 238 Cb 0.81 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1hxf h ILE 238 CO 0.07 0.00 -0.19 1.56 0.00 0.00 0.00 178.15 179.59 1hxf h GLN 239 N -0.90 -0.15 -0.49 2.37 4.20 -1.08 -2.56 115.11 116.50 1hxf h GLN 239 Ca -0.07 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.73 1hxf h GLN 239 Cb 0.74 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.45 1hxf h GLN 239 CO 0.07 -0.10 -0.42 -0.22 -0.67 0.00 0.00 178.83 177.49 1hxf h LYS 240 N -0.16 -0.26 -0.43 1.46 3.64 -1.34 0.35 116.57 119.84 1hxf h LYS 240 Ca 0.16 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1hxf h LYS 240 Cb 0.40 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1hxf h LYS 240 CO -0.40 -0.17 -0.09 -0.39 -2.27 0.00 0.00 179.45 176.12 1hxf h VAL 241 N -0.27 1.25 -0.32 2.00 -1.51 -0.99 -1.94 116.25 114.47 1hxf h VAL 241 Ca 0.16 -1.12 -0.03 0.00 -1.23 0.00 0.00 66.70 64.48 1hxf h VAL 241 Cb 0.57 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1hxf h VAL 241 CO -0.62 0.38 0.07 0.40 -1.23 0.00 0.00 177.57 176.57 1hxf h ILE 242 N 0.68 1.22 0.00 7.19 2.04 -0.95 -3.24 117.51 124.46 1hxf h ILE 242 Ca 0.12 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1hxf h ILE 242 Cb 0.55 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1hxf h ILE 242 CO 0.03 0.25 -0.07 -2.24 0.00 0.00 0.00 178.15 176.12 1hxf h ASP 243 N 0.36 0.00 -0.03 1.72 3.04 0.05 -3.52 116.42 118.04 1hxf h ASP 243 Ca 0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1hxf h ASP 243 Cb 0.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.59 1hxf h ASP 243 CO 0.00 0.07 0.00 0.00 -2.04 0.00 0.00 179.24 177.27