#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxm s ILE 2 N 0.00 5.47 -0.12 0.00 2.07 -1.26 -4.60 121.20 122.76 1hxm s ILE 2 Ca 0.00 0.21 -0.20 0.00 -1.41 0.00 0.00 60.65 59.25 1hxm s ILE 2 Cb 0.00 -3.44 0.05 0.00 0.13 0.00 0.00 42.46 39.20 1hxm s ILE 2 CO 0.00 0.58 0.50 -0.70 -1.91 0.00 0.00 174.94 173.42 1hxm s GLU 3 N -1.13 0.72 -0.10 3.50 2.12 -1.19 -5.04 118.70 117.58 1hxm s GLU 3 Ca 0.17 0.40 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1hxm s GLU 3 Cb -0.12 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 1hxm s GLU 3 CO 0.06 -0.15 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.04 1hxm s LEU 4 N -0.43 3.10 -0.12 2.70 1.43 -1.26 -1.40 118.68 122.69 1hxm s LEU 4 Ca -0.06 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1hxm s LEU 4 Cb -0.03 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1hxm s LEU 4 CO 0.04 0.28 -0.03 -0.69 0.23 0.00 0.00 176.35 176.18 1hxm s VAL 5 N -0.33 0.76 0.64 -1.59 1.01 0.45 -4.13 120.40 117.20 1hxm s VAL 5 Ca 0.05 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1hxm s VAL 5 Cb -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1hxm s VAL 5 CO 0.02 0.19 1.19 -2.16 0.00 0.00 0.00 175.10 174.35 1hxm s PRO 6 N 1.80 2.73 0.07 2.72 0.04 -1.26 -1.25 135.00 139.85 1hxm s PRO 6 Ca 0.03 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1hxm s PRO 6 Cb -0.14 -1.91 -0.18 0.00 0.04 0.00 0.00 34.50 32.32 1hxm s PRO 6 CO -0.07 -1.37 1.62 1.49 0.04 0.00 0.00 177.00 178.71 1hxm h GLU 7 N 0.47 -0.59 -5.71 4.56 4.81 -1.79 -3.45 114.58 112.88 1hxm h GLU 7 Ca -0.49 0.04 -0.47 0.00 -0.13 0.00 0.00 59.36 58.30 1hxm h GLU 7 Cb 1.29 0.13 -0.20 0.00 0.63 0.00 0.00 28.75 30.61 1hxm h GLU 7 CO 0.54 -0.38 -0.79 -1.01 -0.73 0.00 0.00 179.01 176.64 1hxm s HIS 8 N -5.97 1.55 -0.04 0.92 3.76 -1.26 -5.05 115.29 109.20 1hxm s HIS 8 Ca -0.16 -0.48 -0.26 0.00 -0.15 0.00 0.00 55.06 54.01 1hxm s HIS 8 Cb 0.04 -0.82 -0.21 0.00 1.11 0.00 0.00 32.58 32.69 1hxm s HIS 8 CO 0.62 0.18 1.17 1.96 -0.85 0.00 0.00 174.74 177.83 1hxm h GLN 9 N 3.77 0.04 -6.46 1.40 4.20 -1.87 -3.42 115.11 112.76 1hxm h GLN 9 Ca -0.42 -0.02 -0.70 0.00 0.06 0.00 0.00 58.65 57.57 1hxm h GLN 9 Cb 1.19 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.70 1hxm h GLN 9 CO 0.46 0.62 -0.85 0.99 -0.67 0.00 0.00 178.83 179.38 1hxm s THR 10 N -3.84 2.37 -0.27 -0.54 2.01 -1.26 0.72 115.64 114.84 1hxm s THR 10 Ca -0.16 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 60.83 1hxm s THR 10 Cb 0.01 -1.86 0.09 0.00 0.01 0.00 0.00 72.50 70.75 1hxm s THR 10 CO 0.69 0.58 0.10 -0.69 -0.69 0.00 0.00 174.62 174.61 1hxm s VAL 11 N -0.60 0.39 0.35 3.82 1.01 0.16 -4.93 120.40 120.60 1hxm s VAL 11 Ca 0.09 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1hxm s VAL 11 Cb -0.11 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.96 1hxm s VAL 11 CO -0.00 -0.59 0.98 -2.16 0.00 0.00 0.00 175.10 173.32 1hxm s PRO 12 N 1.88 4.45 0.05 2.72 0.04 -1.26 -3.09 135.00 139.79 1hxm s PRO 12 Ca 0.07 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 1hxm s PRO 12 Cb -0.17 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1hxm s PRO 12 CO -0.26 0.15 -0.04 0.14 0.04 0.00 0.00 177.00 177.03 1hxm s VAL 13 N -1.66 0.26 0.02 -0.36 -7.23 -0.20 -4.91 120.40 106.32 1hxm s VAL 13 Ca 0.53 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1hxm s VAL 13 Cb -0.19 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1hxm s VAL 13 CO 0.24 -0.85 -0.05 -0.44 -0.31 0.00 0.00 175.10 173.70 1hxm s SER 14 N -2.55 4.73 0.31 4.85 0.01 -1.26 -1.75 113.70 118.05 1hxm s SER 14 Ca 0.02 -0.14 -0.28 0.00 1.31 0.00 0.00 55.95 56.85 1hxm s SER 14 Cb 0.03 -1.12 -0.13 0.00 0.21 0.00 0.00 66.02 65.01 1hxm s SER 14 CO -0.07 0.26 1.17 -0.38 0.41 0.00 0.00 173.24 174.63 1hxm n ILE 15 N 1.36 1.92 -0.37 1.44 5.41 -0.87 -1.67 119.36 126.58 1hxm n ILE 15 Ca -0.15 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.12 1hxm n ILE 15 Cb 0.52 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 1hxm n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hxm n GLY 16 N 1.06 0.86 3.40 7.39 0.00 -0.84 -4.64 105.19 112.42 1hxm n GLY 16 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1hxm n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hxm s VAL 17 N -2.09 5.01 0.09 1.61 1.01 -0.67 -4.77 120.40 120.58 1hxm s VAL 17 Ca 0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 61.98 60.70 1hxm s VAL 17 Cb 0.00 -3.89 -0.18 0.00 0.00 0.00 0.00 36.38 32.31 1hxm s VAL 17 CO 0.00 -0.41 1.09 -2.65 0.00 0.00 0.00 175.10 173.12 1hxm n PRO 18 N 5.12 0.56 -3.97 2.72 -0.02 -1.15 -4.53 135.00 133.73 1hxm n PRO 18 Ca -0.12 0.20 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 1hxm n PRO 18 Cb 0.45 -1.67 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 1hxm n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hxm s ALA 19 N -0.07 0.12 0.01 3.55 0.00 0.18 -5.00 121.76 120.57 1hxm s ALA 19 Ca 0.81 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 52.35 1hxm s ALA 19 Cb -1.05 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1hxm s ALA 19 CO 0.53 -0.13 -0.24 0.95 0.00 0.00 0.00 175.76 176.88 1hxm s THR 20 N -1.22 1.93 -0.11 0.00 -4.23 -1.26 0.11 115.64 110.85 1hxm s THR 20 Ca -0.13 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1hxm s THR 20 Cb -0.08 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 1hxm s THR 20 CO -0.01 0.42 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.66 1hxm s LEU 21 N -0.89 3.11 0.26 4.79 1.43 0.69 -4.97 118.68 123.11 1hxm s LEU 21 Ca 0.10 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1hxm s LEU 21 Cb -0.09 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1hxm s LEU 21 CO 0.01 0.25 -0.14 -0.13 0.23 0.00 0.00 176.35 176.57 1hxm s ARG 22 N -0.15 1.56 -0.30 1.70 0.52 -1.26 -0.58 118.95 120.43 1hxm s ARG 22 Ca 0.02 -1.74 -0.07 0.00 -0.52 0.00 0.00 55.73 53.42 1hxm s ARG 22 Cb -0.13 -1.44 0.16 0.00 0.52 0.00 0.00 34.95 34.06 1hxm s ARG 22 CO 0.03 0.20 0.67 0.00 0.02 0.00 0.00 175.30 176.23 1hxm s SER 24 N 2.85 6.51 -0.21 0.00 1.04 -0.38 -0.59 113.70 122.92 1hxm s SER 24 Ca 0.05 0.71 -0.06 0.00 0.48 0.00 0.00 55.95 57.12 1hxm s SER 24 Cb -0.13 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 1hxm s SER 24 CO -0.19 -0.06 0.04 -0.32 0.98 0.00 0.00 173.24 173.68 1hxm s MET 25 N -3.01 3.72 -0.36 4.02 -2.45 -0.64 -0.41 119.30 120.17 1hxm s MET 25 Ca 0.44 -0.46 -0.04 0.00 -1.25 0.00 0.00 55.69 54.37 1hxm s MET 25 Cb -0.11 -3.18 0.07 0.00 1.25 0.00 0.00 34.83 32.86 1hxm s MET 25 CO 0.25 0.03 0.13 0.15 1.05 0.00 0.00 175.02 176.63 1hxm s LYS 26 N 1.00 2.34 0.00 4.11 -0.14 -0.50 -4.63 119.74 121.92 1hxm s LYS 26 Ca 0.03 -1.47 0.00 0.00 -1.36 0.00 0.00 55.97 53.17 1hxm s LYS 26 Cb -0.14 -3.45 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 1hxm s LYS 26 CO 0.02 -0.83 0.00 0.41 -0.76 0.00 0.00 175.35 174.19 1hxm n GLY 27 N 4.69 -0.02 0.00 -3.33 0.00 -1.26 -3.18 105.19 102.09 1hxm n GLY 27 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1hxm n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1hxm n GLU 28 N 0.00 0.00 -2.45 1.61 2.13 -1.26 -4.83 120.64 115.84 1hxm n GLU 28 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1hxm n GLU 28 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1hxm n GLU 28 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hxm s ALA 29 N -2.00 3.46 0.57 4.31 0.00 -1.26 -4.89 121.76 121.94 1hxm s ALA 29 Ca 0.00 0.68 0.30 0.00 0.00 0.00 0.00 51.96 52.94 1hxm s ALA 29 Cb 0.00 -3.49 1.46 0.00 0.00 0.00 0.00 23.12 21.08 1hxm s ALA 29 CO 0.00 -0.66 1.88 0.97 0.00 0.00 0.00 175.76 177.94 1hxm h ILE 30 N 4.88 0.43 -0.70 0.00 6.09 -1.92 -2.30 117.51 123.98 1hxm h ILE 30 Ca -0.36 0.00 0.15 0.00 -1.37 0.00 0.00 64.86 63.27 1hxm h ILE 30 Cb 1.18 0.57 -0.04 0.00 0.47 0.00 0.00 36.82 39.00 1hxm h ILE 30 CO 0.86 0.00 0.47 1.23 -3.07 0.00 0.00 178.15 177.64 1hxm h GLY 31 N 0.00 0.53 -0.31 8.18 0.00 -1.95 0.24 103.07 109.76 1hxm h GLY 31 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1hxm h GLY 31 CO -0.00 0.05 0.00 0.70 0.00 0.00 0.00 176.54 177.29 1hxm n ASN 32 N -4.45 0.63 -4.36 0.19 3.02 -0.86 -4.83 115.26 104.59 1hxm n ASN 32 Ca 0.13 -1.88 -0.19 0.00 -0.03 0.00 0.00 54.58 52.61 1hxm n ASN 32 Cb 0.55 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.54 1hxm n ASN 32 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1hxm s TYR 33 N -1.86 1.71 -0.05 3.10 2.02 0.07 -2.33 117.35 120.01 1hxm s TYR 33 Ca 0.13 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1hxm s TYR 33 Cb 0.07 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1hxm s TYR 33 CO 0.10 0.17 -0.07 0.71 -1.57 0.00 0.00 175.55 174.89 1hxm s TYR 34 N -3.17 2.93 -0.11 2.71 4.12 0.48 -4.89 117.35 119.42 1hxm s TYR 34 Ca 0.27 0.02 -0.06 0.00 0.02 0.00 0.00 57.07 57.31 1hxm s TYR 34 Cb 0.04 -1.69 -0.04 0.00 -1.52 0.00 0.00 41.96 38.75 1hxm s TYR 34 CO 0.09 0.35 0.12 0.42 0.02 0.00 0.00 175.55 176.54 1hxm s ILE 35 N -0.85 5.30 0.03 2.71 1.09 -1.26 -2.43 121.20 125.78 1hxm s ILE 35 Ca 0.13 0.12 0.02 0.00 -1.10 0.00 0.00 60.65 59.82 1hxm s ILE 35 Cb -0.11 -3.30 -0.02 0.00 -1.06 0.00 0.00 42.46 37.97 1hxm s ILE 35 CO 0.03 0.61 -0.07 0.20 -0.10 0.00 0.00 174.94 175.60 1hxm s ASN 36 N -1.03 0.80 -0.07 3.58 -0.87 0.47 0.98 114.94 118.80 1hxm s ASN 36 Ca 0.15 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 51.05 1hxm s ASN 36 Cb -0.12 0.00 0.01 0.00 -0.02 0.00 0.00 41.25 41.12 1hxm s ASN 36 CO 0.04 -0.12 -0.16 0.26 -2.57 0.00 0.00 177.10 174.55 1hxm s TRP 37 N -1.01 1.75 0.22 2.20 0.52 0.42 -0.96 118.94 122.08 1hxm s TRP 37 Ca -0.06 -0.65 0.06 0.00 0.02 0.00 0.00 56.10 55.47 1hxm s TRP 37 Cb -0.08 -1.23 -0.05 0.00 -1.15 0.00 0.00 33.47 30.96 1hxm s TRP 37 CO 0.00 -0.29 -0.08 0.71 0.02 0.00 0.00 176.95 177.31 1hxm s TYR 38 N 0.48 1.69 0.06 -1.98 2.02 0.22 -0.03 117.35 119.81 1hxm s TYR 38 Ca -0.14 -0.71 -0.11 0.00 -0.37 0.00 0.00 57.07 55.74 1hxm s TYR 38 Cb -0.16 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1hxm s TYR 38 CO 0.05 0.21 0.25 -0.98 -1.57 0.00 0.00 175.55 173.51 1hxm s ARG 39 N -3.73 0.82 -0.19 -0.62 1.70 -0.62 0.21 118.95 116.50 1hxm s ARG 39 Ca 0.25 -0.69 0.01 0.00 -0.47 0.00 0.00 55.73 54.83 1hxm s ARG 39 Cb 0.02 0.34 0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1hxm s ARG 39 CO 0.08 -0.26 -0.12 0.15 -1.08 0.00 0.00 175.30 174.07 1hxm s LYS 40 N -3.07 2.16 0.31 3.89 1.02 0.13 -0.89 119.74 123.28 1hxm s LYS 40 Ca -0.01 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.23 1hxm s LYS 40 Cb 0.01 -2.41 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 1hxm s LYS 40 CO -0.07 -0.39 -0.08 0.95 -0.92 0.00 0.00 175.35 174.84 1hxm s THR 41 N 1.38 1.94 0.33 2.17 -4.23 -0.70 -0.39 115.64 116.14 1hxm s THR 41 Ca -0.00 -2.17 -0.29 0.00 -1.18 0.00 0.00 61.69 58.04 1hxm s THR 41 Cb -0.16 -2.53 -0.11 0.00 1.34 0.00 0.00 72.50 71.04 1hxm s THR 41 CO -0.09 -0.26 1.53 0.00 -0.54 0.00 0.00 174.62 175.26 1hxm s GLN 42 N -3.67 4.13 0.00 3.99 -2.07 -1.26 -3.10 119.66 117.69 1hxm s GLN 42 Ca 0.31 2.55 0.00 0.00 -1.82 0.00 0.00 55.36 56.40 1hxm s GLN 42 Cb 0.03 -3.01 0.00 0.00 -1.09 0.00 0.00 33.01 28.94 1hxm s GLN 42 CO 0.14 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.96 1hxm n GLY 43 N 1.37 2.10 3.64 2.60 0.00 -1.26 -4.91 105.19 108.73 1hxm n GLY 43 Ca 0.05 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1hxm n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hxm s ASN 44 N -2.93 6.70 -0.08 1.61 0.01 -1.18 -5.05 114.94 114.03 1hxm s ASN 44 Ca 0.00 0.87 -0.01 0.00 -0.71 0.00 0.00 52.86 53.00 1hxm s ASN 44 Cb 0.00 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1hxm s ASN 44 CO 0.00 -0.43 -0.01 -0.89 -1.51 0.00 0.00 177.10 174.27 1hxm s THR 45 N 2.59 4.23 -0.72 1.60 2.01 -1.26 -1.73 115.64 122.37 1hxm s THR 45 Ca 0.30 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 61.92 1hxm s THR 45 Cb -0.15 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.60 1hxm s THR 45 CO 0.08 0.60 0.62 0.80 -0.69 0.00 0.00 174.62 176.04 1hxm n MET 46 N 2.14 -1.65 -4.02 4.92 0.00 -1.09 -4.97 117.12 112.45 1hxm n MET 46 Ca -0.18 1.00 -0.32 0.00 -0.00 0.00 0.00 57.70 58.20 1hxm n MET 46 Cb 0.54 -2.52 -0.06 0.00 0.00 0.00 0.00 33.22 31.18 1hxm n MET 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1hxm s THR 47 N -2.60 4.93 0.01 1.12 -4.23 -0.07 -4.88 115.64 109.92 1hxm s THR 47 Ca 0.10 -0.43 -0.30 0.00 -1.18 0.00 0.00 61.69 59.89 1hxm s THR 47 Cb -0.01 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1hxm s THR 47 CO 0.88 0.27 1.04 0.12 -0.54 0.00 0.00 174.62 176.39 1hxm s PHE 48 N -1.30 3.60 -0.09 3.99 5.36 -1.26 -1.60 117.98 126.67 1hxm s PHE 48 Ca 0.27 1.59 -0.07 0.00 -0.96 0.00 0.00 56.93 57.76 1hxm s PHE 48 Cb -0.12 -3.20 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 1hxm s PHE 48 CO 0.18 -0.35 -0.16 -0.89 -1.46 0.00 0.00 175.22 172.54 1hxm n ILE 49 N 3.92 0.94 -3.80 3.12 5.41 0.96 -4.25 119.36 125.65 1hxm n ILE 49 Ca 0.07 -0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 1hxm n ILE 49 Cb 0.50 -1.77 -0.11 0.00 -0.71 0.00 0.00 39.64 37.55 1hxm n ILE 49 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1hxm s TYR 50 N -2.30 -0.20 -0.02 1.39 5.04 -0.99 -2.21 117.35 118.06 1hxm s TYR 50 Ca -0.16 0.46 0.05 0.00 -2.44 0.00 0.00 57.07 54.97 1hxm s TYR 50 Cb 0.05 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.42 1hxm s TYR 50 CO 0.22 -0.17 -0.16 0.50 -1.34 0.00 0.00 175.55 174.59 1hxm s ARG 51 N -0.26 1.44 -0.09 4.97 3.52 0.26 -0.44 118.95 128.35 1hxm s ARG 51 Ca -0.04 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 54.92 1hxm s ARG 51 Cb -0.03 -1.34 -0.03 0.00 -1.56 0.00 0.00 34.95 31.99 1hxm s ARG 51 CO 0.01 0.30 0.36 -1.91 -0.81 0.00 0.00 175.30 173.25 1hxm n GLU 52 N 2.86 0.00 -2.06 5.12 4.07 0.27 -2.95 120.64 127.96 1hxm n GLU 52 Ca -0.16 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 56.93 1hxm n GLU 52 Cb 0.54 -0.25 -0.01 0.00 -0.06 0.00 0.00 31.44 31.67 1hxm n GLU 52 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1hxm n LYS 53 N 1.24 -1.81 -3.26 5.31 4.76 -1.26 -4.64 118.16 118.50 1hxm n LYS 53 Ca 0.09 1.68 -0.20 0.00 -2.87 0.00 0.00 58.31 57.01 1hxm n LYS 53 Cb -0.01 -3.04 -0.02 0.00 -1.84 0.00 0.00 35.03 30.13 1hxm n LYS 53 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1hxm n ASP 54 N 0.46 -2.80 -4.22 4.39 8.00 -1.26 -4.95 116.55 116.18 1hxm n ASP 54 Ca -0.05 -0.27 -0.38 0.00 0.71 0.00 0.00 54.79 54.80 1hxm n ASP 54 Cb 0.08 -2.38 -0.11 0.00 -0.02 0.00 0.00 41.12 38.69 1hxm n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hxm s ILE 55 N -2.74 3.80 0.22 0.53 1.01 -1.15 -5.02 121.20 117.85 1hxm s ILE 55 Ca 0.34 -1.54 0.07 0.00 0.00 0.00 0.00 60.65 59.52 1hxm s ILE 55 Cb -0.19 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1hxm s ILE 55 CO 0.42 -0.48 0.11 -0.31 0.00 0.00 0.00 174.94 174.68 1hxm s TYR 56 N 1.33 2.99 0.57 3.97 2.02 -1.26 -0.58 117.35 126.39 1hxm s TYR 56 Ca 0.03 -0.11 -0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1hxm s TYR 56 Cb -0.22 -1.38 0.01 0.00 -0.40 0.00 0.00 41.96 39.97 1hxm s TYR 56 CO 0.00 0.54 0.86 0.20 -1.57 0.00 0.00 175.55 175.58 1hxm s GLY 57 N -3.46 1.62 -0.31 0.71 0.00 -0.94 -4.93 107.32 100.00 1hxm s GLY 57 Ca 0.31 -0.83 -0.37 0.00 0.00 0.00 0.00 44.72 43.83 1hxm s GLY 57 CO 0.22 -0.56 2.04 -1.05 0.00 0.00 0.00 173.10 173.75 1hxm n PRO 58 N -2.50 1.14 -0.76 2.90 -0.02 -1.26 -1.35 135.00 133.15 1hxm n PRO 58 Ca 0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1hxm n PRO 58 Cb 0.58 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1hxm n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hxm n GLY 59 N 5.77 0.57 0.00 -1.23 0.00 -1.26 -4.93 105.19 104.11 1hxm n GLY 59 Ca 0.36 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.98 1hxm n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hxm n PHE 60 N -2.76 0.00 0.10 1.61 3.01 -0.45 -4.53 117.46 114.43 1hxm n PHE 60 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1hxm n PHE 60 Cb 0.00 -0.13 0.17 0.00 -0.01 0.00 0.00 39.48 39.51 1hxm n PHE 60 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1hxm h LYS 61 N 0.00 0.18 0.08 -1.08 3.64 -1.80 0.67 116.57 118.26 1hxm h LYS 61 Ca 0.00 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1hxm h LYS 61 Cb 0.38 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1hxm h LYS 61 CO 0.00 0.69 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.39 1hxm h ASP 62 N 0.14 -0.09 0.45 4.20 3.32 -1.95 -3.36 116.42 119.14 1hxm h ASP 62 Ca -0.00 -0.27 -0.30 0.00 0.02 0.00 0.00 57.03 56.48 1hxm h ASP 62 Cb 1.01 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1hxm h ASP 62 CO 0.08 0.23 -1.66 -1.13 -1.72 0.00 0.00 179.24 175.04 1hxm h ASN 63 N -0.41 0.18 -1.83 6.45 -0.73 -1.79 -3.49 115.58 113.96 1hxm h ASN 63 Ca -0.01 -0.33 -0.50 0.00 1.87 0.00 0.00 56.30 57.33 1hxm h ASN 63 Cb 0.35 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.84 1hxm h ASN 63 CO 0.02 1.29 -0.46 -0.36 -0.37 0.00 0.00 177.43 177.55 1hxm s PHE 64 N -2.60 2.86 -0.26 0.67 0.08 0.23 -1.62 117.98 117.33 1hxm s PHE 64 Ca -0.09 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 1hxm s PHE 64 Cb 0.08 -1.80 0.15 0.00 -0.57 0.00 0.00 43.02 40.88 1hxm s PHE 64 CO 0.82 0.19 0.43 -1.14 -0.10 0.00 0.00 175.22 175.41 1hxm s GLN 65 N -3.98 0.40 0.45 0.44 0.74 -0.74 -4.56 119.66 112.42 1hxm s GLN 65 Ca 0.41 0.58 -0.05 0.00 0.05 0.00 0.00 55.36 56.34 1hxm s GLN 65 Cb -0.05 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.76 1hxm s GLN 65 CO 0.26 -0.69 0.76 0.20 -0.55 0.00 0.00 175.29 175.27 1hxm s GLY 66 N 2.61 1.54 -0.05 2.59 0.00 -1.26 -1.22 107.32 111.53 1hxm s GLY 66 Ca 0.14 -0.51 -0.31 0.00 0.00 0.00 0.00 44.72 44.04 1hxm s GLY 66 CO -0.18 -0.35 1.06 -0.35 0.00 0.00 0.00 173.10 173.27 1hxm s ASP 67 N -3.96 -0.22 -0.06 1.64 -1.08 -0.55 -4.93 116.67 107.50 1hxm s ASP 67 Ca 0.47 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 52.48 1hxm s ASP 67 Cb -0.10 0.28 -0.00 0.00 -1.46 0.00 0.00 42.92 41.64 1hxm s ASP 67 CO 0.42 -0.48 -0.19 0.27 0.52 0.00 0.00 175.17 175.72 1hxm s ILE 68 N -2.80 1.59 -1.10 4.11 -4.36 -1.26 -0.84 121.20 116.53 1hxm s ILE 68 Ca 0.09 -0.79 -0.04 0.00 -0.26 0.00 0.00 60.65 59.65 1hxm s ILE 68 Cb -0.00 -1.37 0.29 0.00 1.25 0.00 0.00 42.46 42.62 1hxm s ILE 68 CO -0.05 0.45 1.65 -0.67 0.24 0.00 0.00 174.94 176.55 1hxm n ASP 69 N 3.26 6.58 -0.49 4.36 -0.08 0.47 -4.85 116.55 125.79 1hxm n ASP 69 Ca -0.19 -3.44 0.42 0.00 -1.51 0.00 0.00 54.79 50.08 1hxm n ASP 69 Cb 0.53 -1.27 0.65 0.00 2.34 0.00 0.00 41.12 43.36 1hxm n ASP 69 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1hxm n ILE 70 N 1.23 0.00 0.11 5.18 -5.35 -1.26 -0.43 119.36 118.84 1hxm n ILE 70 Ca 0.34 1.37 -0.13 0.00 -0.27 0.00 0.00 62.75 64.06 1hxm n ILE 70 Cb 0.31 -2.36 -0.06 0.00 -1.74 0.00 0.00 39.64 35.79 1hxm n ILE 70 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1hxm h ALA 71 N 0.78 -0.56 -1.49 -1.28 0.00 -1.94 -3.25 119.26 111.51 1hxm h ALA 71 Ca 0.74 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.99 1hxm h ALA 71 Cb 3.39 0.55 -0.41 0.00 0.00 0.00 0.00 17.79 21.32 1hxm h ALA 71 CO -0.01 -0.88 -0.57 1.17 0.00 0.00 0.00 179.25 178.97 1hxm n LYS 72 N -5.42 3.37 -4.41 0.00 3.00 0.43 -4.94 118.16 110.18 1hxm n LYS 72 Ca -0.07 -4.44 -0.39 0.00 -0.00 0.00 0.00 58.31 53.42 1hxm n LYS 72 Cb 0.33 -2.25 -0.08 0.00 0.00 0.00 0.00 35.03 33.03 1hxm n LYS 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1hxm n ASN 73 N -0.48 -1.15 -4.69 3.14 3.02 -1.17 -4.76 115.26 109.17 1hxm n ASN 73 Ca 0.40 -1.22 -0.35 0.00 -0.03 0.00 0.00 54.58 53.38 1hxm n ASN 73 Cb 0.62 -1.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.14 1hxm n ASN 73 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hxm s LEU 74 N -7.11 3.74 -0.22 3.41 1.02 -1.12 -1.62 118.68 116.78 1hxm s LEU 74 Ca 0.63 0.16 -0.06 0.00 0.02 0.00 0.00 54.13 54.87 1hxm s LEU 74 Cb -0.36 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 1hxm s LEU 74 CO 0.99 0.32 0.04 0.00 0.02 0.00 0.00 176.35 177.73 1hxm s ALA 75 N -0.53 3.14 0.14 4.21 0.00 0.24 -0.40 121.76 128.56 1hxm s ALA 75 Ca 0.10 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.14 1hxm s ALA 75 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1hxm s ALA 75 CO 0.02 -0.26 -0.25 0.14 0.00 0.00 0.00 175.76 175.42 1hxm s VAL 76 N 1.19 2.14 -0.12 0.00 -7.23 -0.02 -1.13 120.40 115.22 1hxm s VAL 76 Ca 0.04 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1hxm s VAL 76 Cb -0.14 -1.92 0.05 0.00 0.56 0.00 0.00 36.38 34.92 1hxm s VAL 76 CO 0.03 -0.00 0.08 -0.22 -0.31 0.00 0.00 175.10 174.68 1hxm s LEU 77 N -2.17 0.25 -0.12 1.32 2.96 0.25 -1.48 118.68 119.69 1hxm s LEU 77 Ca 0.14 -0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 1hxm s LEU 77 Cb -0.09 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 1hxm s LEU 77 CO 0.06 -0.31 0.34 -0.54 -1.32 0.00 0.00 176.35 174.59 1hxm s LYS 78 N 2.16 4.16 -0.30 1.98 1.02 -0.35 -0.22 119.74 128.19 1hxm s LYS 78 Ca 0.03 0.22 -0.11 0.00 0.02 0.00 0.00 55.97 56.13 1hxm s LYS 78 Cb -0.14 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1hxm s LYS 78 CO -0.07 0.34 0.18 0.42 -0.92 0.00 0.00 175.35 175.30 1hxm s ILE 79 N 0.13 5.05 -0.15 2.17 1.01 0.30 -1.78 121.20 127.92 1hxm s ILE 79 Ca 0.20 -0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 1hxm s ILE 79 Cb -0.14 -3.48 -0.25 0.00 0.01 0.00 0.00 42.46 38.60 1hxm s ILE 79 CO 0.07 0.16 0.69 -0.07 0.00 0.00 0.00 174.94 175.80 1hxm h LEU 80 N 8.38 0.00 -6.79 2.97 3.38 -1.55 0.55 115.31 122.25 1hxm h LEU 80 Ca -0.34 -0.93 -0.61 0.00 0.09 0.00 0.00 57.88 56.10 1hxm h LEU 80 Cb 1.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 1hxm h LEU 80 CO 0.59 1.05 -0.75 0.00 0.09 0.00 0.00 178.44 179.42 1hxm s ALA 81 N -2.24 2.69 0.57 1.53 0.00 -1.26 -2.93 121.76 120.13 1hxm s ALA 81 Ca -0.20 -3.16 -0.19 0.00 0.00 0.00 0.00 51.96 48.40 1hxm s ALA 81 Cb -0.02 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 21.13 1hxm s ALA 81 CO 0.67 -2.04 0.90 -2.30 0.00 0.00 0.00 175.76 172.99 1hxm n PRO 82 N 2.48 0.91 -3.14 0.00 -0.02 -1.26 -4.66 135.00 129.31 1hxm n PRO 82 Ca 0.23 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1hxm n PRO 82 Cb 0.40 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1hxm n PRO 82 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hxm n SER 83 N -0.38 -0.94 -0.01 2.55 3.41 -1.26 -1.98 113.62 115.00 1hxm n SER 83 Ca 0.13 -2.24 -0.09 0.00 -0.26 0.00 0.00 58.87 56.40 1hxm n SER 83 Cb 0.46 1.74 -0.04 0.00 -0.26 0.00 0.00 64.21 66.11 1hxm n SER 83 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1hxm h GLU 84 N 0.00 -0.05 0.00 4.33 3.07 -1.95 -1.63 114.58 118.35 1hxm h GLU 84 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1hxm h GLU 84 Cb 0.79 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1hxm h GLU 84 CO 0.25 -0.03 0.15 0.54 -1.40 0.00 0.00 179.01 178.51 1hxm n ARG 85 N -5.20 0.10 0.00 2.33 1.74 -1.26 -1.55 116.66 112.83 1hxm n ARG 85 Ca -0.04 0.58 0.13 0.00 -0.77 0.00 0.00 57.85 57.76 1hxm n ARG 85 Cb 0.13 -1.99 0.42 0.00 -1.02 0.00 0.00 32.46 29.99 1hxm n ARG 85 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1hxm n ASP 86 N -2.08 1.63 -4.71 0.55 8.00 -0.61 -4.89 116.55 114.44 1hxm n ASP 86 Ca -0.01 -1.45 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 1hxm n ASP 86 Cb 0.17 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 1hxm n ASP 86 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1hxm s GLU 87 N -2.12 4.54 0.00 -1.24 2.12 -0.59 -4.89 118.70 116.52 1hxm s GLU 87 Ca 0.33 1.35 0.00 0.00 0.36 0.00 0.00 54.97 57.02 1hxm s GLU 87 Cb 0.20 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1hxm s GLU 87 CO 0.38 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 1hxm n GLY 88 N 2.93 -0.55 3.78 -1.50 0.00 -0.90 -4.29 105.19 104.67 1hxm n GLY 88 Ca 0.05 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1hxm n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hxm s SER 89 N -4.00 5.71 -0.10 1.61 0.01 0.48 -0.32 113.70 117.08 1hxm s SER 89 Ca 0.00 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.48 1hxm s SER 89 Cb 0.00 -1.67 -0.00 0.00 0.21 0.00 0.00 66.02 64.56 1hxm s SER 89 CO 0.00 0.30 -0.23 -0.31 0.41 0.00 0.00 173.24 173.41 1hxm s TYR 90 N -1.13 2.59 -0.04 2.43 2.02 -0.03 0.19 117.35 123.37 1hxm s TYR 90 Ca 0.21 -1.01 0.06 0.00 -0.37 0.00 0.00 57.07 55.96 1hxm s TYR 90 Cb -0.12 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1hxm s TYR 90 CO 0.11 -0.40 -0.23 0.71 -1.57 0.00 0.00 175.55 174.17 1hxm s TYR 91 N 0.35 2.44 -0.15 2.71 2.02 0.13 -1.79 117.35 123.07 1hxm s TYR 91 Ca -0.18 -0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 55.97 1hxm s TYR 91 Cb -0.18 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 1hxm s TYR 91 CO 0.08 -0.07 0.03 0.00 -1.57 0.00 0.00 175.55 174.03 1hxm s ALA 93 N 0.02 0.59 0.08 0.00 0.00 -0.14 -1.49 121.76 120.82 1hxm s ALA 93 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1hxm s ALA 93 Cb -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1hxm s ALA 93 CO 0.01 0.03 -0.12 0.00 0.00 0.00 0.00 175.76 175.68 1hxm s ASP 95 N -2.06 0.91 0.69 0.00 -4.77 -1.02 -0.25 116.67 110.17 1hxm s ASP 95 Ca 0.01 -0.76 -0.11 0.00 -3.30 0.00 0.00 52.55 48.39 1hxm s ASP 95 Cb -0.07 0.07 0.01 0.00 -1.09 0.00 0.00 42.92 41.84 1hxm s ASP 95 CO 0.01 -0.34 1.06 0.42 0.70 0.00 0.00 175.17 177.02 1hxm s THR 96 N -2.45 4.05 0.08 2.11 -4.23 -1.26 -0.39 115.64 113.55 1hxm s THR 96 Ca -0.01 0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 61.01 1hxm s THR 96 Cb -0.03 -3.42 -0.11 0.00 1.34 0.00 0.00 72.50 70.27 1hxm s THR 96 CO -0.02 -0.87 1.37 -0.07 -0.54 0.00 0.00 174.62 174.48 1hxm h LEU 97 N -0.70 0.65 0.00 4.79 4.07 -1.81 -3.44 115.31 118.88 1hxm h LEU 97 Ca -0.44 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.02 1hxm h LEU 97 Cb 1.21 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1hxm h LEU 97 CO 0.57 1.03 0.00 0.61 -1.08 0.00 0.00 178.44 179.57 1hxm n GLY 98 N 0.27 -0.11 3.60 0.83 0.00 -1.26 -5.07 105.19 103.45 1hxm n GLY 98 Ca -0.05 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1hxm n GLY 98 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hxm s MET 99 N 0.00 3.14 -0.99 1.61 1.75 -1.26 -4.76 119.30 118.79 1hxm s MET 99 Ca 0.00 1.68 -0.18 0.00 -1.25 0.00 0.00 55.69 55.94 1hxm s MET 99 Cb 0.00 -4.31 -0.28 0.00 2.84 0.00 0.00 34.83 33.08 1hxm s MET 99 CO 0.00 -2.09 2.38 0.41 -0.65 0.00 0.00 175.02 175.07 1hxm n GLY 100 N 5.63 -0.48 0.00 2.11 0.00 -1.26 -4.52 105.19 106.66 1hxm n GLY 100 Ca 0.27 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1hxm n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxm n GLY 101 N 5.93 1.43 0.04 -0.02 0.00 -1.26 -5.02 105.19 106.29 1hxm n GLY 101 Ca 0.66 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1hxm n GLY 101 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hxm n GLU 102 N 0.00 2.14 -1.09 1.61 0.28 -1.26 -5.08 120.64 117.24 1hxm n GLU 102 Ca 0.00 -1.32 -0.37 0.00 -0.16 0.00 0.00 57.16 55.31 1hxm n GLU 102 Cb 0.00 -1.02 0.04 0.00 1.43 0.00 0.00 31.44 31.89 1hxm n GLU 102 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1hxm n TYR 103 N -0.32 -4.01 -3.55 -1.84 0.18 -1.26 -4.93 117.16 101.43 1hxm n TYR 103 Ca 0.01 0.16 -0.37 0.00 1.88 0.00 0.00 57.90 59.58 1hxm n TYR 103 Cb 0.21 -1.56 -0.07 0.00 -0.38 0.00 0.00 39.34 37.54 1hxm n TYR 103 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1hxm s THR 104 N -2.01 5.30 -1.37 -3.48 -1.32 -1.26 -4.99 115.64 106.50 1hxm s THR 104 Ca 0.48 0.56 -0.13 0.00 -1.21 0.00 0.00 61.69 61.38 1hxm s THR 104 Cb -0.29 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.04 1hxm s THR 104 CO 0.75 0.41 2.39 -0.67 -2.21 0.00 0.00 174.62 175.29 1hxm n ASP 105 N 3.40 5.18 -4.67 8.08 4.64 -1.26 -4.93 116.55 126.99 1hxm n ASP 105 Ca -0.12 -2.70 -0.29 0.00 -1.38 0.00 0.00 54.79 50.29 1hxm n ASP 105 Cb 0.52 -1.51 -0.08 0.00 -1.04 0.00 0.00 41.12 39.01 1hxm n ASP 105 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 1hxm s LYS 106 N 3.16 2.47 0.39 -0.67 -2.85 -1.26 -5.09 119.74 115.89 1hxm s LYS 106 Ca 0.54 -0.90 -0.09 0.00 -1.00 0.00 0.00 55.97 54.52 1hxm s LYS 106 Cb 0.15 -2.48 -0.06 0.00 -2.06 0.00 0.00 37.83 33.38 1hxm s LYS 106 CO -0.05 0.52 0.73 -0.51 0.10 0.00 0.00 175.35 176.15 1hxm s LEU 107 N -2.40 3.85 -0.23 2.77 1.43 -1.26 -4.49 118.68 118.35 1hxm s LEU 107 Ca 0.25 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1hxm s LEU 107 Cb -0.11 -3.92 0.05 0.00 0.03 0.00 0.00 46.19 42.24 1hxm s LEU 107 CO 0.18 -0.38 -0.11 -0.63 0.23 0.00 0.00 176.35 175.64 1hxm s ILE 108 N -2.35 1.94 0.52 -0.59 1.01 0.66 -4.88 121.20 117.51 1hxm s ILE 108 Ca 0.50 -1.36 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 1hxm s ILE 108 Cb -0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1hxm s ILE 108 CO 0.32 0.06 0.87 -0.36 0.00 0.00 0.00 174.94 175.84 1hxm s PHE 109 N 1.23 3.58 0.32 3.97 0.08 -1.26 -1.83 117.98 124.07 1hxm s PHE 109 Ca -0.05 0.99 0.09 0.00 0.12 0.00 0.00 56.93 58.08 1hxm s PHE 109 Cb -0.18 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 1hxm s PHE 109 CO -0.07 -0.41 0.07 0.20 -0.10 0.00 0.00 175.22 174.92 1hxm s GLY 110 N -4.06 1.88 0.56 4.36 0.00 -0.56 -4.45 107.32 105.06 1hxm s GLY 110 Ca 0.50 -1.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.23 1hxm s GLY 110 CO 0.47 -1.77 1.17 0.54 0.00 0.00 0.00 173.10 173.50 1hxm s LYS 111 N -3.77 3.20 0.76 2.90 1.02 -1.26 -4.60 119.74 117.99 1hxm s LYS 111 Ca 0.35 1.71 -0.11 0.00 0.02 0.00 0.00 55.97 57.94 1hxm s LYS 111 Cb -0.03 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1hxm s LYS 111 CO 0.21 -0.99 1.08 0.20 -0.92 0.00 0.00 175.35 174.93 1hxm s GLY 112 N -1.68 1.64 -0.15 -3.33 0.00 -1.26 -4.44 107.32 98.10 1hxm s GLY 112 Ca 0.75 -0.06 0.01 0.00 0.00 0.00 0.00 44.72 45.42 1hxm s GLY 112 CO 0.30 0.32 -0.17 -1.08 0.00 0.00 0.00 173.10 172.47 1hxm s THR 113 N -3.09 1.76 -0.10 0.90 -1.32 -0.74 -4.82 115.64 108.23 1hxm s THR 113 Ca 0.60 -0.76 -0.22 0.00 -1.21 0.00 0.00 61.69 60.09 1hxm s THR 113 Cb -0.14 -1.61 -0.03 0.00 -1.51 0.00 0.00 72.50 69.20 1hxm s THR 113 CO 0.55 0.49 0.66 -0.60 -2.21 0.00 0.00 174.62 173.51 1hxm s ARG 114 N 1.29 4.37 -0.11 7.08 3.52 0.22 -0.85 118.95 134.47 1hxm s ARG 114 Ca 0.02 0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 56.40 1hxm s ARG 114 Cb -0.13 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1hxm s ARG 114 CO -0.09 -0.00 -0.09 0.14 -0.81 0.00 0.00 175.30 174.45 1hxm s VAL 115 N 1.07 3.49 -0.13 7.11 -7.23 0.56 -0.66 120.40 124.60 1hxm s VAL 115 Ca 0.34 -0.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 1hxm s VAL 115 Cb -0.17 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1hxm s VAL 115 CO 0.15 0.55 -0.15 0.42 -0.31 0.00 0.00 175.10 175.75 1hxm s THR 116 N -0.13 2.79 -0.21 5.32 -4.23 -1.18 -2.11 115.64 115.90 1hxm s THR 116 Ca 0.01 -0.75 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 1hxm s THR 116 Cb -0.13 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 1hxm s THR 116 CO 0.03 0.53 0.11 -0.69 -0.54 0.00 0.00 174.62 174.05 1hxm s VAL 117 N 0.49 5.10 0.03 2.29 1.01 -1.26 -1.03 120.40 127.03 1hxm s VAL 117 Ca -0.11 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1hxm s VAL 117 Cb -0.16 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1hxm s VAL 117 CO 0.05 0.42 -0.14 -1.61 0.00 0.00 0.00 175.10 173.81 1hxm s GLU 118 N 0.62 0.93 1.18 2.72 0.41 -0.72 -4.96 118.70 118.88 1hxm s GLU 118 Ca 0.06 -0.73 -0.17 0.00 -0.41 0.00 0.00 54.97 53.71 1hxm s GLU 118 Cb -0.12 -0.94 0.21 0.00 -1.78 0.00 0.00 34.13 31.50 1hxm s GLU 118 CO 0.01 0.23 0.43 -2.30 -0.49 0.00 0.00 175.26 173.14 1hxm n PRO 119 N 1.97 -2.46 -3.11 0.39 -0.02 -1.26 -2.05 135.00 128.46 1hxm n PRO 119 Ca -0.18 -0.71 -0.28 0.00 -2.02 0.00 0.00 63.50 60.31 1hxm n PRO 119 Cb 0.55 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 1hxm n PRO 119 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1hxm s ARG 120 N -3.91 3.65 0.07 -0.52 1.70 -1.26 -4.52 118.95 114.16 1hxm s ARG 120 Ca 0.58 0.13 -0.34 0.00 -0.47 0.00 0.00 55.73 55.64 1hxm s ARG 120 Cb -0.15 -2.54 -0.13 0.00 -0.57 0.00 0.00 34.95 31.57 1hxm s ARG 120 CO 0.60 0.08 1.71 0.45 -1.08 0.00 0.00 175.30 177.07 1hxm n SER 121 N -1.28 3.34 -3.29 -2.89 2.88 -1.26 -4.93 113.62 106.18 1hxm n SER 121 Ca -0.00 1.03 -0.12 0.00 -1.33 0.00 0.00 58.87 58.45 1hxm n SER 121 Cb 0.54 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.55 1hxm n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hxm s GLN 122 N 2.20 1.93 0.37 -1.46 -2.07 -1.26 -5.14 119.66 114.23 1hxm s GLN 122 Ca 0.84 -1.59 -0.27 0.00 -1.82 0.00 0.00 55.36 52.52 1hxm s GLN 122 Cb -0.66 0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 31.66 1hxm s GLN 122 CO 0.42 -0.83 1.28 -2.14 -1.32 0.00 0.00 175.29 172.70 1hxm s PRO 123 N -3.04 4.16 0.95 9.60 0.02 -1.26 -4.96 135.00 140.48 1hxm s PRO 123 Ca 0.25 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.28 1hxm s PRO 123 Cb -0.02 -2.88 0.17 0.00 0.02 0.00 0.00 34.50 31.79 1hxm s PRO 123 CO 0.16 -0.32 1.12 -1.01 -0.33 0.00 0.00 177.00 176.62 1hxm s HIS 124 N -1.23 1.65 -0.15 6.54 3.76 -1.26 -4.84 115.29 119.75 1hxm s HIS 124 Ca 0.53 1.64 -0.06 0.00 -0.15 0.00 0.00 55.06 57.03 1hxm s HIS 124 Cb -0.37 -3.27 0.07 0.00 1.11 0.00 0.00 32.58 30.12 1hxm s HIS 124 CO 0.49 -2.95 0.33 0.99 -0.85 0.00 0.00 174.74 172.74 1hxm s THR 125 N -2.64 -0.42 0.20 1.30 2.01 -0.60 -4.89 115.64 110.61 1hxm s THR 125 Ca 0.67 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.58 1hxm s THR 125 Cb -0.23 -0.52 -0.09 0.00 0.01 0.00 0.00 72.50 71.67 1hxm s THR 125 CO 0.59 0.09 1.34 -0.75 -0.69 0.00 0.00 174.62 175.20 1hxm s LYS 126 N 2.27 4.36 0.66 4.92 2.20 -1.26 -2.93 119.74 129.96 1hxm s LYS 126 Ca -0.02 2.10 -0.05 0.00 -0.36 0.00 0.00 55.97 57.64 1hxm s LYS 126 Cb -0.11 -3.18 0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1hxm s LYS 126 CO -0.10 -0.30 0.96 -1.25 -0.36 0.00 0.00 175.35 174.30 1hxm s PRO 127 N -0.07 2.39 0.11 4.03 0.04 -1.26 -4.76 135.00 135.48 1hxm s PRO 127 Ca 0.58 -0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.39 1hxm s PRO 127 Cb -0.38 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1hxm s PRO 127 CO 0.39 -1.06 0.12 -1.12 0.04 0.00 0.00 177.00 175.36 1hxm s SER 128 N -4.46 5.60 -0.06 6.66 0.01 -0.72 -4.94 113.70 115.80 1hxm s SER 128 Ca 0.58 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.80 1hxm s SER 128 Cb -0.11 -1.51 0.03 0.00 0.21 0.00 0.00 66.02 64.64 1hxm s SER 128 CO 0.44 0.13 0.01 -0.69 0.41 0.00 0.00 173.24 173.53 1hxm s VAL 129 N -1.55 0.29 0.27 3.43 1.01 -1.26 -1.09 120.40 121.50 1hxm s VAL 129 Ca 0.30 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.51 1hxm s VAL 129 Cb -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1hxm s VAL 129 CO 0.23 0.23 -0.11 -0.36 0.00 0.00 0.00 175.10 175.09 1hxm s PHE 130 N 1.80 2.03 -0.07 5.22 0.40 -0.53 -4.27 117.98 122.57 1hxm s PHE 130 Ca 0.02 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 1hxm s PHE 130 Cb -0.13 -1.06 0.04 0.00 0.51 0.00 0.00 43.02 42.38 1hxm s PHE 130 CO -0.04 0.43 0.13 0.54 0.70 0.00 0.00 175.22 176.97 1hxm s VAL 131 N -2.85 -0.15 0.05 -0.44 0.11 -1.26 0.73 120.40 116.59 1hxm s VAL 131 Ca 0.28 0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.68 1hxm s VAL 131 Cb 0.01 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1hxm s VAL 131 CO 0.12 0.12 -0.08 0.00 -3.33 0.00 0.00 175.10 171.93 1hxm s MET 132 N 1.77 2.34 0.35 1.54 0.23 -0.83 -4.96 119.30 119.75 1hxm s MET 132 Ca -0.02 -0.88 0.03 0.00 -1.03 0.00 0.00 55.69 53.80 1hxm s MET 132 Cb -0.12 -2.40 -0.04 0.00 -1.53 0.00 0.00 34.83 30.74 1hxm s MET 132 CO -0.05 0.55 0.11 0.15 -2.03 0.00 0.00 175.02 173.75 1hxm s LYS 133 N -1.81 1.75 -0.35 3.16 1.02 -1.26 -1.05 119.74 121.19 1hxm s LYS 133 Ca 0.19 -2.02 -0.05 0.00 0.02 0.00 0.00 55.97 54.11 1hxm s LYS 133 Cb -0.11 -0.55 0.22 0.00 -0.52 0.00 0.00 37.83 36.86 1hxm s LYS 133 CO 0.11 -0.38 1.09 -1.71 -0.92 0.00 0.00 175.35 173.53 1hxm n ASN 134 N -1.00 -1.60 -2.91 2.83 2.85 0.30 -4.99 115.26 110.73 1hxm n ASN 134 Ca -0.03 -1.19 -0.01 0.00 -0.11 0.00 0.00 54.58 53.24 1hxm n ASN 134 Cb 0.65 0.82 -0.01 0.00 1.24 0.00 0.00 39.78 42.48 1hxm n ASN 134 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hxm n GLY 135 N 2.50 -2.34 4.61 8.20 0.00 -1.26 -2.78 105.19 114.12 1hxm n GLY 135 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1hxm n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hxm n THR 136 N 1.47 0.00 -3.07 2.61 -2.24 -1.26 -4.90 114.28 106.90 1hxm n THR 136 Ca -0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1hxm n THR 136 Cb 0.29 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 1hxm n THR 136 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1hxm s ASN 137 N -1.18 6.52 -0.04 3.42 -0.87 -1.12 0.87 114.94 122.53 1hxm s ASN 137 Ca 0.00 0.40 0.03 0.00 -1.57 0.00 0.00 52.86 51.72 1hxm s ASN 137 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 1hxm s ASN 137 CO 0.00 -0.55 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.18 1hxm s VAL 138 N 2.73 0.95 -0.07 1.60 1.01 -0.76 -0.54 120.40 125.32 1hxm s VAL 138 Ca 0.27 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1hxm s VAL 138 Cb -0.15 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1hxm s VAL 138 CO 0.13 0.29 -0.14 0.00 0.00 0.00 0.00 175.10 175.38 1hxm s ALA 139 N 0.29 1.42 -0.08 5.51 0.00 -0.22 -1.80 121.76 126.87 1hxm s ALA 139 Ca -0.06 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.23 1hxm s ALA 139 Cb -0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1hxm s ALA 139 CO 0.01 0.13 0.43 0.00 0.00 0.00 0.00 175.76 176.34 1hxm s LEU 141 N -0.02 4.76 -0.32 0.00 2.96 0.22 -1.83 118.68 124.45 1hxm s LEU 141 Ca 0.24 -2.26 -0.20 0.00 -0.22 0.00 0.00 54.13 51.69 1hxm s LEU 141 Cb -0.15 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 1hxm s LEU 141 CO 0.11 -0.38 0.60 -0.69 -1.32 0.00 0.00 176.35 174.67 1hxm s VAL 142 N 0.76 4.95 -0.07 1.68 1.01 -0.33 -1.46 120.40 126.95 1hxm s VAL 142 Ca 0.12 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1hxm s VAL 142 Cb -0.20 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1hxm s VAL 142 CO -0.07 -0.18 -0.04 -0.54 0.00 0.00 0.00 175.10 174.27 1hxm s LYS 143 N 2.57 2.83 -0.24 2.72 1.02 -0.25 -0.54 119.74 127.84 1hxm s LYS 143 Ca 0.23 -0.51 -0.09 0.00 0.02 0.00 0.00 55.97 55.63 1hxm s LYS 143 Cb -0.15 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1hxm s LYS 143 CO 0.13 0.67 0.20 0.39 -0.92 0.00 0.00 175.35 175.82 1hxm n GLU 144 N 2.08 -1.95 -3.73 1.68 -0.58 -0.54 -1.75 120.64 115.85 1hxm n GLU 144 Ca -0.18 1.77 -0.11 0.00 -0.42 0.00 0.00 57.16 58.22 1hxm n GLU 144 Cb 0.53 -3.36 -0.07 0.00 -0.57 0.00 0.00 31.44 27.98 1hxm n GLU 144 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1hxm s PHE 145 N -1.53 -0.12 -0.18 -0.32 -0.12 -0.86 -3.97 117.98 110.87 1hxm s PHE 145 Ca 0.10 -0.08 -0.22 0.00 -0.05 0.00 0.00 56.93 56.68 1hxm s PHE 145 Cb -0.02 0.13 0.06 0.00 -0.63 0.00 0.00 43.02 42.56 1hxm s PHE 145 CO 0.52 -0.56 0.59 -0.47 -0.05 0.00 0.00 175.22 175.25 1hxm s TYR 146 N -2.96 -0.62 0.00 3.49 5.04 -1.15 -2.06 117.35 119.08 1hxm s TYR 146 Ca -0.02 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 1hxm s TYR 146 Cb 0.00 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1hxm s TYR 146 CO -0.06 -0.36 0.00 -0.35 -1.34 0.00 0.00 175.55 173.44 1hxm n PRO 147 N 2.38 0.20 -0.00 4.97 -0.04 -1.26 -1.56 135.00 139.68 1hxm n PRO 147 Ca -0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 1hxm n PRO 147 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 1hxm n PRO 147 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1hxm h LYS 148 N 0.00 -0.03 -6.16 0.54 3.64 -2.01 -3.45 116.57 109.11 1hxm h LYS 148 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 1hxm h LYS 148 Cb 0.00 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1hxm h LYS 148 CO 0.00 0.44 1.04 -3.47 -2.27 0.00 0.00 179.45 175.19 1hxm n ASP 149 N -4.88 2.67 -3.56 4.20 2.03 -1.26 -4.94 116.55 110.82 1hxm n ASP 149 Ca -0.08 0.95 -0.15 0.00 0.52 0.00 0.00 54.79 56.03 1hxm n ASP 149 Cb 0.25 -1.23 -0.05 0.00 -0.72 0.00 0.00 41.12 39.37 1hxm n ASP 149 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1hxm s ILE 150 N 4.28 0.02 -0.11 5.18 2.07 -1.26 -4.57 121.20 126.82 1hxm s ILE 150 Ca 0.99 -0.18 0.03 0.00 -1.41 0.00 0.00 60.65 60.08 1hxm s ILE 150 Cb -0.93 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 40.71 1hxm s ILE 150 CO 0.59 -0.10 -0.19 -0.13 -1.91 0.00 0.00 174.94 173.20 1hxm s ARG 151 N -2.15 2.62 -0.16 3.50 0.52 -0.85 -5.00 118.95 117.43 1hxm s ARG 151 Ca -0.07 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1hxm s ARG 151 Cb -0.01 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 1hxm s ARG 151 CO 0.01 0.05 -0.13 0.42 0.02 0.00 0.00 175.30 175.66 1hxm s ILE 152 N 0.67 2.86 -0.11 1.52 1.01 -1.26 -1.32 121.20 124.58 1hxm s ILE 152 Ca -0.12 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1hxm s ILE 152 Cb -0.16 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1hxm s ILE 152 CO 0.03 0.50 -0.19 0.20 0.00 0.00 0.00 174.94 175.49 1hxm s ASN 153 N 0.82 2.65 -0.51 3.58 0.01 -0.08 -5.02 114.94 116.40 1hxm s ASN 153 Ca -0.04 -0.48 -0.17 0.00 -0.71 0.00 0.00 52.86 51.46 1hxm s ASN 153 Cb -0.15 -1.21 0.08 0.00 0.41 0.00 0.00 41.25 40.38 1hxm s ASN 153 CO 0.00 0.07 0.50 -0.76 -1.51 0.00 0.00 177.10 175.41 1hxm s LEU 154 N 0.72 5.56 0.02 0.60 1.02 -1.26 -0.22 118.68 125.12 1hxm s LEU 154 Ca -0.11 -1.34 -0.30 0.00 0.02 0.00 0.00 54.13 52.40 1hxm s LEU 154 Cb -0.16 -2.26 -0.09 0.00 0.02 0.00 0.00 46.19 43.70 1hxm s LEU 154 CO 0.02 -0.80 1.99 -0.69 0.02 0.00 0.00 176.35 176.90 1hxm s VAL 155 N 1.97 3.01 -0.26 -1.59 1.01 0.27 -4.89 120.40 119.93 1hxm s VAL 155 Ca 0.07 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1hxm s VAL 155 Cb -0.24 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1hxm s VAL 155 CO 0.07 -0.00 0.68 -0.55 0.00 0.00 0.00 175.10 175.30 1hxm s SER 156 N 4.74 -0.72 -0.10 3.32 0.15 -1.26 -3.17 113.70 116.66 1hxm s SER 156 Ca 0.90 1.37 -0.11 0.00 0.70 0.00 0.00 55.95 58.81 1hxm s SER 156 Cb -0.42 1.38 -0.09 0.00 -1.71 0.00 0.00 66.02 65.19 1hxm s SER 156 CO 0.41 -0.24 0.35 0.28 1.20 0.00 0.00 173.24 175.24 1hxm h SER 157 N 5.23 -0.07 -3.51 5.45 0.02 -1.94 -3.43 113.55 115.30 1hxm h SER 157 Ca -0.29 -0.26 -0.71 0.00 -0.84 0.00 0.00 61.79 59.69 1hxm h SER 157 Cb 1.17 0.02 -0.28 0.00 0.14 0.00 0.00 62.40 63.45 1hxm h SER 157 CO 0.08 0.53 -0.50 -0.54 -1.14 0.00 0.00 176.83 175.27 1hxm s LYS 158 N -2.13 2.63 -0.09 3.45 1.02 -1.26 -5.08 119.74 118.28 1hxm s LYS 158 Ca -0.07 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 54.60 1hxm s LYS 158 Cb -0.01 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1hxm s LYS 158 CO 0.24 -0.86 -0.16 -1.59 -0.92 0.00 0.00 175.35 172.05 1hxm s LYS 159 N 1.44 2.95 -0.04 1.68 -2.85 -1.26 -1.90 119.74 119.76 1hxm s LYS 159 Ca 0.02 -0.74 -0.03 0.00 -1.00 0.00 0.00 55.97 54.22 1hxm s LYS 159 Cb -0.22 -2.45 -0.01 0.00 -2.06 0.00 0.00 37.83 33.09 1hxm s LYS 159 CO 0.03 0.36 0.18 0.82 0.10 0.00 0.00 175.35 176.84 1hxm h ILE 160 N 5.05 0.00 -3.46 3.79 2.04 -0.56 -3.48 117.51 120.89 1hxm h ILE 160 Ca -0.32 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1hxm h ILE 160 Cb 1.19 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.13 1hxm h ILE 160 CO 0.52 0.00 -0.16 0.42 0.00 0.00 0.00 178.15 178.93 1hxm s THR 161 N -1.73 0.09 -0.02 -0.27 -4.23 -1.00 -4.96 115.64 103.52 1hxm s THR 161 Ca -0.01 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 1hxm s THR 161 Cb 0.00 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1hxm s THR 161 CO 0.04 -0.40 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.06 1hxm s GLU 162 N -3.65 0.63 0.22 3.99 2.02 -1.26 0.57 118.70 121.22 1hxm s GLU 162 Ca 0.02 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 54.88 1hxm s GLU 162 Cb 0.02 -0.62 -0.03 0.00 0.10 0.00 0.00 34.13 33.60 1hxm s GLU 162 CO -0.11 0.06 0.23 -0.06 0.02 0.00 0.00 175.26 175.41 1hxm s PHE 163 N 0.22 3.24 0.26 1.61 0.08 0.25 -4.99 117.98 118.65 1hxm s PHE 163 Ca -0.03 -0.05 -0.31 0.00 0.12 0.00 0.00 56.93 56.67 1hxm s PHE 163 Cb -0.07 -1.49 -0.13 0.00 -0.57 0.00 0.00 43.02 40.76 1hxm s PHE 163 CO -0.00 0.50 1.47 -0.25 -0.10 0.00 0.00 175.22 176.84 1hxm n ASP 164 N -1.00 3.15 -4.26 1.36 8.00 -1.26 -4.36 116.55 118.18 1hxm n ASP 164 Ca -0.08 1.14 -0.30 0.00 0.71 0.00 0.00 54.79 56.27 1hxm n ASP 164 Cb 0.57 -1.49 0.18 0.00 -0.02 0.00 0.00 41.12 40.36 1hxm n ASP 164 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1hxm s PRO 165 N -0.46 0.32 -0.07 -0.24 0.04 -1.26 -4.73 135.00 128.60 1hxm s PRO 165 Ca 0.66 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1hxm s PRO 165 Cb -0.59 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1hxm s PRO 165 CO 0.49 -2.68 -0.06 0.00 0.04 0.00 0.00 177.00 174.79 1hxm s ALA 166 N -3.46 0.99 -0.15 8.56 0.00 -0.18 -4.97 121.76 122.56 1hxm s ALA 166 Ca 0.70 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1hxm s ALA 166 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1hxm s ALA 166 CO 0.54 -0.17 -0.03 0.42 0.00 0.00 0.00 175.76 176.52 1hxm s ILE 167 N 1.26 3.98 0.13 0.00 1.09 -1.26 -1.72 121.20 124.67 1hxm s ILE 167 Ca -0.05 -0.33 0.04 0.00 -1.10 0.00 0.00 60.65 59.21 1hxm s ILE 167 Cb -0.14 -2.74 -0.04 0.00 -1.06 0.00 0.00 42.46 38.48 1hxm s ILE 167 CO -0.02 0.50 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.54 1hxm s VAL 168 N 0.26 1.01 0.05 2.92 1.01 -0.30 -4.98 120.40 120.38 1hxm s VAL 168 Ca -0.02 -1.98 -0.28 0.00 0.00 0.00 0.00 61.98 59.70 1hxm s VAL 168 Cb -0.14 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1hxm s VAL 168 CO 0.03 -0.76 0.88 -0.63 0.00 0.00 0.00 175.10 174.62 1hxm s ILE 169 N -3.30 4.70 0.63 2.22 1.01 -1.26 -0.58 121.20 124.62 1hxm s ILE 169 Ca 0.14 1.88 -0.05 0.00 0.00 0.00 0.00 60.65 62.62 1hxm s ILE 169 Cb 0.03 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.29 1hxm s ILE 169 CO -0.01 0.29 0.93 -0.94 0.00 0.00 0.00 174.94 175.21 1hxm s SER 170 N 0.28 5.27 0.52 3.58 1.04 -0.70 -4.80 113.70 118.89 1hxm s SER 170 Ca 0.45 0.55 0.18 0.00 0.48 0.00 0.00 55.95 57.61 1hxm s SER 170 Cb -0.21 -1.40 1.30 0.00 0.10 0.00 0.00 66.02 65.80 1hxm s SER 170 CO 0.26 -1.27 2.13 -0.65 0.98 0.00 0.00 173.24 174.69 1hxm h PRO 171 N -0.31 0.00 0.00 4.02 0.11 -1.96 0.73 132.00 134.59 1hxm h PRO 171 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hxm h PRO 171 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1hxm h PRO 171 CO 0.60 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.86 1hxm n SER 172 N -4.36 0.00 -0.14 -2.05 7.64 -1.26 -4.84 113.62 108.61 1hxm n SER 172 Ca -0.03 -1.55 -0.02 0.00 1.01 0.00 0.00 58.87 58.28 1hxm n SER 172 Cb 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 1hxm n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hxm n GLY 173 N 0.67 0.54 0.00 0.23 0.00 0.25 -5.00 105.19 101.87 1hxm n GLY 173 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1hxm n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hxm n LYS 174 N -2.72 1.17 -4.09 1.61 5.02 -1.25 -4.56 118.16 113.34 1hxm n LYS 174 Ca -0.02 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1hxm n LYS 174 Cb 0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.99 1hxm n LYS 174 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1hxm s TYR 175 N 4.26 0.65 0.12 2.13 2.02 -0.88 -1.71 117.35 123.94 1hxm s TYR 175 Ca 0.00 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 55.91 1hxm s TYR 175 Cb 0.00 -0.41 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 1hxm s TYR 175 CO 0.00 -0.19 0.04 -0.80 -1.57 0.00 0.00 175.55 173.03 1hxm s ASN 176 N -2.37 0.36 0.09 2.29 0.01 0.25 -1.47 114.94 114.10 1hxm s ASN 176 Ca 0.00 -1.18 -0.26 0.00 -0.71 0.00 0.00 52.86 50.72 1hxm s ASN 176 Cb -0.01 0.28 0.07 0.00 0.41 0.00 0.00 41.25 42.00 1hxm s ASN 176 CO -0.04 -0.71 0.62 0.00 -1.51 0.00 0.00 177.10 175.47 1hxm s ALA 177 N -4.02 -1.65 -0.01 0.60 0.00 0.30 -1.14 121.76 115.84 1hxm s ALA 177 Ca 0.22 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 1hxm s ALA 177 Cb 0.07 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1hxm s ALA 177 CO 0.00 -0.63 0.04 0.08 0.00 0.00 0.00 175.76 175.25 1hxm s VAL 178 N -2.89 0.03 -0.03 0.00 1.01 -0.70 -1.18 120.40 116.63 1hxm s VAL 178 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1hxm s VAL 178 Cb -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.25 1hxm s VAL 178 CO -0.05 -0.13 0.00 -0.75 0.00 0.00 0.00 175.10 174.17 1hxm s LYS 179 N -0.38 0.31 0.08 2.72 2.20 -0.76 -1.01 119.74 122.90 1hxm s LYS 179 Ca -0.04 0.10 0.08 0.00 -0.36 0.00 0.00 55.97 55.74 1hxm s LYS 179 Cb -0.03 -0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 35.72 1hxm s LYS 179 CO 0.00 -0.16 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.15 1hxm s LEU 180 N 1.19 2.75 0.23 5.43 1.02 -1.26 -0.27 118.68 127.76 1hxm s LEU 180 Ca -0.07 -0.46 -0.19 0.00 0.02 0.00 0.00 54.13 53.42 1hxm s LEU 180 Cb -0.13 -1.60 0.03 0.00 0.02 0.00 0.00 46.19 44.51 1hxm s LEU 180 CO -0.02 0.21 0.61 -0.83 0.02 0.00 0.00 176.35 176.34 1hxm s GLY 181 N -1.88 -0.14 -0.12 -3.19 0.00 -0.75 -0.58 107.32 100.66 1hxm s GLY 181 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1hxm s GLY 181 CO 0.09 -0.15 -0.15 0.54 0.00 0.00 0.00 173.10 173.43 1hxm s LYS 182 N -3.88 3.27 -0.00 2.90 1.02 0.19 -1.83 119.74 121.41 1hxm s LYS 182 Ca 0.09 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 1hxm s LYS 182 Cb -0.03 -2.56 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1hxm s LYS 182 CO 0.00 0.24 0.01 0.71 -0.92 0.00 0.00 175.35 175.39 1hxm s TYR 183 N 0.28 0.01 0.05 3.18 2.02 0.25 0.24 117.35 123.37 1hxm s TYR 183 Ca -0.11 -0.01 -0.28 0.00 -0.37 0.00 0.00 57.07 56.30 1hxm s TYR 183 Cb -0.16 -0.01 -0.17 0.00 -0.40 0.00 0.00 41.96 41.22 1hxm s TYR 183 CO 0.06 -0.03 1.46 0.93 -1.57 0.00 0.00 175.55 176.40 1hxm h GLU 184 N 5.97 -0.55 -1.45 -0.62 4.39 -1.68 -2.99 114.58 117.65 1hxm h GLU 184 Ca -0.25 0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.32 1hxm h GLU 184 Cb 1.21 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.90 1hxm h GLU 184 CO 0.49 -0.29 0.22 -0.40 -1.16 0.00 0.00 179.01 177.87 1hxm n ASP 185 N -5.28 4.95 -0.36 1.42 5.75 -1.26 -4.61 116.55 117.16 1hxm n ASP 185 Ca -0.11 -2.66 0.28 0.00 -0.01 0.00 0.00 54.79 52.29 1hxm n ASP 185 Cb 0.28 -0.90 0.56 0.00 -1.03 0.00 0.00 41.12 40.02 1hxm n ASP 185 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1hxm h SER 186 N 0.90 0.38 -0.06 -1.12 4.64 -1.85 -0.13 113.55 116.30 1hxm h SER 186 Ca 0.17 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1hxm h SER 186 Cb 1.17 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1hxm h SER 186 CO 0.39 -0.02 0.05 0.78 -0.87 0.00 0.00 176.83 177.16 1hxm h ASN 187 N 0.28 0.00 0.00 4.97 2.35 -1.89 -2.61 115.58 118.68 1hxm h ASN 187 Ca 0.68 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.37 1hxm h ASN 187 Cb 1.88 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.24 1hxm h ASN 187 CO -0.35 0.00 -2.04 -1.54 -1.65 0.00 0.00 177.43 171.85 1hxm n SER 188 N -4.34 0.09 -4.49 5.81 3.41 -0.10 -5.01 113.62 109.00 1hxm n SER 188 Ca -0.02 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.13 1hxm n SER 188 Cb 0.15 1.83 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 1hxm n SER 188 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1hxm n VAL 189 N -2.32 1.94 -4.23 -3.33 0.31 -0.96 -5.00 118.33 104.74 1hxm n VAL 189 Ca -0.08 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 1hxm n VAL 189 Cb 0.65 -0.48 -0.10 0.00 -0.91 0.00 0.00 33.84 33.00 1hxm n VAL 189 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1hxm s THR 190 N -0.99 0.22 -0.08 2.52 -4.23 -1.19 -4.98 115.64 106.92 1hxm s THR 190 Ca 0.62 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1hxm s THR 190 Cb -0.83 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 1hxm s THR 190 CO 0.58 -0.09 -0.25 0.00 -0.54 0.00 0.00 174.62 174.32 1hxm s SER 192 N 0.05 2.00 0.09 0.00 0.01 0.69 -0.27 113.70 116.28 1hxm s SER 192 Ca -0.10 -0.31 0.10 0.00 1.31 0.00 0.00 55.95 56.94 1hxm s SER 192 Cb -0.16 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 1hxm s SER 192 CO 0.06 0.19 -0.25 -0.69 0.41 0.00 0.00 173.24 172.96 1hxm s VAL 193 N -0.27 2.07 -0.26 3.43 1.01 0.65 -0.90 120.40 126.12 1hxm s VAL 193 Ca 0.04 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1hxm s VAL 193 Cb -0.08 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.54 1hxm s VAL 193 CO 0.00 0.17 -0.07 -1.58 0.00 0.00 0.00 175.10 173.61 1hxm s GLN 194 N -1.68 2.51 -0.11 2.72 2.00 -0.43 -1.26 119.66 123.42 1hxm s GLN 194 Ca 0.11 -1.19 -0.06 0.00 -2.00 0.00 0.00 55.36 52.23 1hxm s GLN 194 Cb -0.10 -2.98 0.04 0.00 0.80 0.00 0.00 33.01 30.78 1hxm s GLN 194 CO 0.04 -0.51 0.26 -1.58 -0.50 0.00 0.00 175.29 172.99 1hxm s HIS 195 N 1.22 -0.33 -1.44 1.67 5.65 0.12 -2.00 115.29 120.17 1hxm s HIS 195 Ca -0.04 0.79 -0.06 0.00 0.25 0.00 0.00 55.06 56.00 1hxm s HIS 195 Cb -0.18 0.07 0.04 0.00 -1.18 0.00 0.00 32.58 31.33 1hxm s HIS 195 CO -0.04 -0.22 0.71 -3.47 -0.65 0.00 0.00 174.74 171.07 1hxm n ASP 196 N 3.95 -2.18 -0.19 9.88 2.03 -1.26 -0.23 116.55 128.56 1hxm n ASP 196 Ca -0.22 -0.88 -0.02 0.00 0.52 0.00 0.00 54.79 54.18 1hxm n ASP 196 Cb 0.54 -3.58 -0.01 0.00 -0.72 0.00 0.00 41.12 37.35 1hxm n ASP 196 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1hxm n ASN 197 N -2.93 -5.46 -4.75 1.67 3.02 -1.26 -4.97 115.26 100.57 1hxm n ASN 197 Ca -0.17 0.06 -0.23 0.00 -0.03 0.00 0.00 54.58 54.21 1hxm n ASN 197 Cb 0.62 -3.17 -0.06 0.00 -0.61 0.00 0.00 39.78 36.55 1hxm n ASN 197 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hxm s LYS 198 N -1.93 2.35 -0.16 3.52 1.02 0.68 -5.12 119.74 120.10 1hxm s LYS 198 Ca 0.00 -1.63 -0.00 0.00 0.02 0.00 0.00 55.97 54.36 1hxm s LYS 198 Cb 0.00 -2.15 0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1hxm s LYS 198 CO 0.00 0.01 -0.08 0.99 -0.92 0.00 0.00 175.35 175.34 1hxm s THR 199 N -2.48 1.30 -0.10 2.17 2.01 -1.26 -0.71 115.64 116.57 1hxm s THR 199 Ca 0.40 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.73 1hxm s THR 199 Cb -0.01 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1hxm s THR 199 CO 0.23 0.23 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.63 1hxm s VAL 200 N 1.56 3.60 0.18 3.82 1.01 -0.39 -4.95 120.40 125.23 1hxm s VAL 200 Ca 0.02 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1hxm s VAL 200 Cb -0.15 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1hxm s VAL 200 CO -0.08 0.56 -0.06 -1.00 0.00 0.00 0.00 175.10 174.51 1hxm s HIS 201 N -0.28 2.71 0.32 5.22 3.76 -1.26 -0.25 115.29 125.50 1hxm s HIS 201 Ca 0.04 -0.19 0.07 0.00 -0.15 0.00 0.00 55.06 54.83 1hxm s HIS 201 Cb -0.13 -1.32 0.53 0.00 1.11 0.00 0.00 32.58 32.77 1hxm s HIS 201 CO 0.02 0.51 1.75 0.66 -0.85 0.00 0.00 174.74 176.84 1hxm h SER 202 N 2.86 0.27 0.92 1.40 4.64 -0.82 -1.80 113.55 121.02 1hxm h SER 202 Ca -0.47 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1hxm h SER 202 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1hxm h SER 202 CO 0.56 0.59 0.00 0.35 -0.87 0.00 0.00 176.83 177.45 1hxm n THR 203 N -4.09 0.76 1.00 2.95 -2.24 -1.26 -2.56 114.28 108.84 1hxm n THR 203 Ca -0.01 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 1hxm n THR 203 Cb 0.42 -1.01 0.40 0.00 -2.10 0.00 0.00 70.33 68.04 1hxm n THR 203 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1hxm n ASP 204 N -2.23 0.00 -0.46 3.42 9.92 -0.68 -2.39 116.55 124.13 1hxm n ASP 204 Ca 0.03 -0.58 0.05 0.00 -0.53 0.00 0.00 54.79 53.76 1hxm n ASP 204 Cb 0.28 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.84 1hxm n ASP 204 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1hxm n PHE 205 N -0.92 0.00 -0.47 1.24 3.72 -1.06 -5.02 117.46 114.95 1hxm n PHE 205 Ca 0.10 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 1hxm n PHE 205 Cb 0.05 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1hxm n PHE 205 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10