#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 5.42 -0.10 0.00 2.07 -1.26 -4.35 121.20 122.98 1hxm s ILE 2 Ca 0.00 0.32 -0.17 0.00 -1.41 0.00 0.00 60.65 59.38 1hxm s ILE 2 Cb 0.00 -3.46 0.04 0.00 0.13 0.00 0.00 42.46 39.17 1hxm s ILE 2 CO 0.00 0.60 0.43 -0.70 -1.91 0.00 0.00 174.94 173.36 1hxm s GLU 3 N -0.94 0.63 -0.10 3.50 2.12 -1.26 -4.95 118.70 117.71 1hxm s GLU 3 Ca 0.16 0.31 -0.00 0.00 0.36 0.00 0.00 54.97 55.80 1hxm s GLU 3 Cb -0.13 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 1hxm s GLU 3 CO 0.05 -0.13 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.05 1hxm s LEU 4 N -0.45 3.06 -0.11 2.70 1.43 -1.26 -0.13 118.68 123.92 1hxm s LEU 4 Ca -0.06 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1hxm s LEU 4 Cb -0.03 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1hxm s LEU 4 CO 0.03 0.28 -0.04 -0.69 0.23 0.00 0.00 176.35 176.15 1hxm s VAL 5 N -0.30 0.80 0.63 -1.59 1.01 0.10 -4.11 120.40 116.95 1hxm s VAL 5 Ca 0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1hxm s VAL 5 Cb -0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1hxm s VAL 5 CO 0.02 0.29 1.17 -2.16 0.00 0.00 0.00 175.10 174.42 1hxm s PRO 6 N 1.80 2.83 0.07 2.72 0.04 -1.26 -1.15 135.00 140.04 1hxm s PRO 6 Ca 0.04 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 1hxm s PRO 6 Cb -0.13 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.30 1hxm s PRO 6 CO -0.07 -1.28 1.59 1.49 0.04 0.00 0.00 177.00 178.77 1hxm h GLU 7 N 0.50 -0.78 -5.90 4.56 4.81 -1.80 -3.45 114.58 112.53 1hxm h GLU 7 Ca -0.49 0.05 -0.51 0.00 -0.13 0.00 0.00 59.36 58.28 1hxm h GLU 7 Cb 1.28 0.18 -0.21 0.00 0.63 0.00 0.00 28.75 30.62 1hxm h GLU 7 CO 0.54 -0.50 -0.81 -1.01 -0.73 0.00 0.00 179.01 176.50 1hxm s HIS 8 N -5.92 1.63 -0.01 0.92 3.76 -1.26 -5.05 115.29 109.36 1hxm s HIS 8 Ca -0.17 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.05 1hxm s HIS 8 Cb 0.03 -0.89 -0.19 0.00 1.11 0.00 0.00 32.58 32.64 1hxm s HIS 8 CO 0.61 0.18 1.27 1.96 -0.85 0.00 0.00 174.74 177.90 1hxm h GLN 9 N 4.02 -0.05 -6.46 1.40 4.20 -1.87 -3.42 115.11 112.93 1hxm h GLN 9 Ca -0.44 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.58 1hxm h GLN 9 Cb 1.19 0.01 -0.27 0.00 0.30 0.00 0.00 27.48 28.71 1hxm h GLN 9 CO 0.41 0.39 -0.83 0.99 -0.67 0.00 0.00 178.83 179.12 1hxm s THR 10 N -4.35 2.54 -0.27 -0.54 2.01 -1.26 0.73 115.64 114.50 1hxm s THR 10 Ca -0.15 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 60.89 1hxm s THR 10 Cb 0.02 -1.94 0.09 0.00 0.01 0.00 0.00 72.50 70.68 1hxm s THR 10 CO 0.65 0.59 0.10 -0.69 -0.69 0.00 0.00 174.62 174.58 1hxm s VAL 11 N -0.66 0.31 0.38 3.82 1.01 0.18 -4.92 120.40 120.52 1hxm s VAL 11 Ca 0.10 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1hxm s VAL 11 Cb -0.10 -1.15 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 1hxm s VAL 11 CO -0.00 -0.59 1.00 -2.16 0.00 0.00 0.00 175.10 173.34 1hxm s PRO 12 N 1.92 4.32 0.05 2.72 0.04 -1.26 -3.06 135.00 139.73 1hxm s PRO 12 Ca 0.07 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 1hxm s PRO 12 Cb -0.17 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1hxm s PRO 12 CO -0.26 0.02 0.01 0.14 0.04 0.00 0.00 177.00 176.95 1hxm s VAL 13 N -1.74 0.19 0.02 -0.36 -7.23 -0.21 -4.90 120.40 106.17 1hxm s VAL 13 Ca 0.56 -1.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 1hxm s VAL 13 Cb -0.18 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1hxm s VAL 13 CO 0.24 -0.85 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.64 1hxm s SER 14 N -2.67 4.44 0.30 4.85 0.01 -1.26 -1.97 113.70 117.41 1hxm s SER 14 Ca 0.03 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.78 1hxm s SER 14 Cb 0.05 -0.96 -0.13 0.00 0.21 0.00 0.00 66.02 65.18 1hxm s SER 14 CO -0.09 0.27 1.18 -0.38 0.41 0.00 0.00 173.24 174.63 1hxm n ILE 15 N 1.46 1.82 -0.19 1.44 5.41 -0.96 -1.67 119.36 126.68 1hxm n ILE 15 Ca -0.15 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1hxm n ILE 15 Cb 0.52 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 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 1.18 1.32 3.41 7.39 0.00 -0.82 -4.55 105.19 113.11 1hxm n GLY 16 Ca 0.08 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 -2.18 5.18 0.11 1.61 1.01 -0.67 -4.76 120.40 120.70 1hxm s VAL 17 Ca 0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 61.98 60.73 1hxm s VAL 17 Cb 0.00 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 1hxm s VAL 17 CO 0.00 -0.45 1.07 -2.65 0.00 0.00 0.00 175.10 173.07 1hxm n PRO 18 N 5.16 0.65 -3.97 2.72 -0.02 -1.08 -4.52 135.00 133.94 1hxm n PRO 18 Ca -0.12 0.23 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1hxm n PRO 18 Cb 0.45 -1.68 -0.11 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 -0.16 0.09 0.02 3.55 0.00 0.08 -5.00 121.76 120.34 1hxm s ALA 19 Ca 0.79 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1hxm s ALA 19 Cb -1.00 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1hxm s ALA 19 CO 0.53 -0.20 -0.20 0.95 0.00 0.00 0.00 175.76 176.84 1hxm s THR 20 N -1.82 1.59 -0.11 0.00 -4.23 -1.26 0.10 115.64 109.91 1hxm s THR 20 Ca -0.12 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1hxm s THR 20 Cb -0.07 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 1hxm s THR 20 CO -0.02 0.27 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.50 1hxm s LEU 21 N -0.93 3.08 0.26 4.79 1.43 0.13 -4.98 118.68 122.47 1hxm s LEU 21 Ca 0.07 -0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1hxm s LEU 21 Cb -0.08 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1hxm s LEU 21 CO 0.01 0.25 -0.15 -0.13 0.23 0.00 0.00 176.35 176.56 1hxm s ARG 22 N -0.16 1.57 -0.30 1.70 0.52 -1.26 -0.73 118.95 120.29 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 -1.49 0.15 0.00 0.52 0.00 0.00 34.95 34.01 1hxm s ARG 22 CO 0.03 0.23 0.64 0.00 0.02 0.00 0.00 175.30 176.21 1hxm s SER 24 N 2.88 6.56 -0.20 0.00 1.04 -0.30 -0.25 113.70 123.43 1hxm s SER 24 Ca 0.04 0.69 -0.10 0.00 0.48 0.00 0.00 55.95 57.06 1hxm s SER 24 Cb -0.13 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1hxm s SER 24 CO -0.20 0.13 0.12 -0.32 0.98 0.00 0.00 173.24 173.96 1hxm s MET 25 N -2.20 4.14 -0.54 4.02 1.75 -0.92 0.03 119.30 125.58 1hxm s MET 25 Ca 0.36 -0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.61 1hxm s MET 25 Cb -0.13 -3.41 0.35 0.00 2.84 0.00 0.00 34.83 34.48 1hxm s MET 25 CO 0.20 0.26 0.95 1.63 -0.65 0.00 0.00 175.02 177.42 1hxm n LYS 26 N 3.63 3.07 0.14 4.11 5.02 0.82 -4.78 118.16 130.16 1hxm n LYS 26 Ca -0.16 -4.69 0.00 0.00 -2.02 0.00 0.00 58.31 51.44 1hxm n LYS 26 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1hxm n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hxm n GLY 27 N -0.23 -0.88 0.00 0.72 0.00 -1.26 -4.19 105.19 99.35 1hxm n GLY 27 Ca 0.31 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1hxm n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hxm n GLU 28 N -3.20 1.35 -3.42 1.61 -0.58 -1.26 -4.88 120.64 110.25 1hxm n GLU 28 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1hxm n GLU 28 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1hxm n GLU 28 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hxm s ALA 29 N -2.00 3.56 0.63 0.62 0.00 -1.26 -4.96 121.76 118.34 1hxm s ALA 29 Ca 0.00 -0.49 0.28 0.00 0.00 0.00 0.00 51.96 51.75 1hxm s ALA 29 Cb 0.00 -2.58 1.49 0.00 0.00 0.00 0.00 23.12 22.03 1hxm s ALA 29 CO 0.00 -0.19 1.87 0.97 0.00 0.00 0.00 175.76 178.41 1hxm h ILE 30 N 4.93 0.19 -0.04 0.00 6.09 -1.92 -2.04 117.51 124.73 1hxm h ILE 30 Ca -0.38 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 62.97 1hxm h ILE 30 Cb 1.16 0.61 -0.01 0.00 0.47 0.00 0.00 36.82 39.05 1hxm h ILE 30 CO 0.73 0.00 -0.63 1.23 -3.07 0.00 0.00 178.15 176.41 1hxm h GLY 31 N 0.00 0.17 -0.25 8.18 0.00 -1.94 -3.12 103.07 106.11 1hxm h GLY 31 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1hxm h GLY 31 CO -0.00 0.20 0.00 0.70 0.00 0.00 0.00 176.54 177.44 1hxm n ASN 32 N -3.83 0.25 -3.94 0.19 3.02 -0.76 -4.74 115.26 105.44 1hxm n ASN 32 Ca -0.02 -2.00 -0.12 0.00 -0.03 0.00 0.00 54.58 52.41 1hxm n ASN 32 Cb 0.63 -0.12 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 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 -1.75 0.25 -0.12 3.10 2.02 -1.18 -4.06 117.35 115.60 1hxm s TYR 33 Ca 0.00 -0.21 -0.20 0.00 -0.37 0.00 0.00 57.07 56.28 1hxm s TYR 33 Cb 0.00 -0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 1hxm s TYR 33 CO 0.00 -0.06 0.58 0.71 -1.57 0.00 0.00 175.55 175.21 1hxm s TYR 34 N -0.56 3.49 -0.06 2.71 1.51 -0.50 -4.85 117.35 119.09 1hxm s TYR 34 Ca -0.05 1.00 -0.09 0.00 -1.01 0.00 0.00 57.07 56.92 1hxm s TYR 34 Cb -0.04 -2.69 -0.05 0.00 -0.11 0.00 0.00 41.96 39.07 1hxm s TYR 34 CO -0.00 0.05 0.25 0.42 -1.11 0.00 0.00 175.55 175.16 1hxm s ILE 35 N 1.01 5.32 0.12 2.71 1.09 -1.26 -2.43 121.20 127.76 1hxm s ILE 35 Ca 0.30 0.41 0.07 0.00 -1.10 0.00 0.00 60.65 60.33 1hxm s ILE 35 Cb -0.16 -3.53 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 1hxm s ILE 35 CO 0.13 0.57 -0.16 0.20 -0.10 0.00 0.00 174.94 175.57 1hxm s ASN 36 N -1.15 2.21 -0.07 3.58 -0.87 0.30 -0.94 114.94 118.01 1hxm s ASN 36 Ca 0.20 -0.77 0.03 0.00 -1.57 0.00 0.00 52.86 50.74 1hxm s ASN 36 Cb -0.14 -0.10 0.01 0.00 -0.02 0.00 0.00 41.25 41.00 1hxm s ASN 36 CO 0.09 -0.07 -0.14 0.26 -2.57 0.00 0.00 177.10 174.67 1hxm s TRP 37 N -1.80 1.65 0.22 2.20 0.52 0.59 -0.77 118.94 121.56 1hxm s TRP 37 Ca 0.08 -0.63 0.06 0.00 0.02 0.00 0.00 56.10 55.64 1hxm s TRP 37 Cb -0.07 -1.18 -0.05 0.00 -1.15 0.00 0.00 33.47 31.02 1hxm s TRP 37 CO 0.04 -0.30 -0.09 0.71 0.02 0.00 0.00 176.95 177.33 1hxm s TYR 38 N 0.61 1.69 0.08 -1.98 2.02 0.17 0.14 117.35 120.08 1hxm s TYR 38 Ca -0.15 -0.70 -0.10 0.00 -0.37 0.00 0.00 57.07 55.75 1hxm s TYR 38 Cb -0.16 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 1hxm s TYR 38 CO 0.05 0.23 0.22 -0.98 -1.57 0.00 0.00 175.55 173.49 1hxm s ARG 39 N -3.72 0.84 -0.16 -0.62 1.70 -0.66 0.59 118.95 116.90 1hxm s ARG 39 Ca 0.25 -0.85 -0.00 0.00 -0.47 0.00 0.00 55.73 54.66 1hxm s ARG 39 Cb 0.02 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1hxm s ARG 39 CO 0.08 -0.27 -0.08 0.15 -1.08 0.00 0.00 175.30 174.10 1hxm s LYS 40 N -3.55 1.73 0.33 3.89 1.02 0.10 -0.79 119.74 122.46 1hxm s LYS 40 Ca 0.02 -0.57 0.07 0.00 0.02 0.00 0.00 55.97 55.51 1hxm s LYS 40 Cb 0.03 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1hxm s LYS 40 CO -0.09 -0.38 -0.04 0.95 -0.92 0.00 0.00 175.35 174.87 1hxm s THR 41 N 1.56 1.79 0.30 2.17 -4.23 -0.70 -0.40 115.64 116.13 1hxm s THR 41 Ca 0.01 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.13 1hxm s THR 41 Cb -0.15 -2.66 -0.11 0.00 1.34 0.00 0.00 72.50 70.92 1hxm s THR 41 CO -0.08 -0.17 1.53 0.00 -0.54 0.00 0.00 174.62 175.35 1hxm s GLN 42 N -3.72 4.16 0.00 3.99 -2.07 -1.26 -3.21 119.66 117.55 1hxm s GLN 42 Ca 0.32 2.50 0.00 0.00 -1.82 0.00 0.00 55.36 56.36 1hxm s GLN 42 Cb 0.05 -3.04 0.00 0.00 -1.09 0.00 0.00 33.01 28.94 1hxm s GLN 42 CO 0.15 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.98 1hxm n GLY 43 N 1.83 2.08 3.63 2.60 0.00 -1.26 -4.92 105.19 109.15 1hxm n GLY 43 Ca 0.06 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.71 6.66 -0.11 1.61 0.01 -1.20 -5.05 114.94 114.15 1hxm s ASN 44 Ca 0.00 0.81 -0.03 0.00 -0.71 0.00 0.00 52.86 52.93 1hxm s ASN 44 Cb 0.00 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 1hxm s ASN 44 CO 0.00 -0.43 -0.00 -0.89 -1.51 0.00 0.00 177.10 174.27 1hxm s THR 45 N 2.64 4.26 -0.76 1.60 2.01 -1.26 -1.72 115.64 122.40 1hxm s THR 45 Ca 0.29 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 1hxm s THR 45 Cb -0.15 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1hxm s THR 45 CO 0.08 0.57 0.63 0.80 -0.69 0.00 0.00 174.62 176.01 1hxm n MET 46 N 2.60 -1.56 -3.97 4.92 0.00 -1.06 -4.98 117.12 113.08 1hxm n MET 46 Ca -0.18 1.01 -0.31 0.00 -0.00 0.00 0.00 57.70 58.21 1hxm n MET 46 Cb 0.53 -3.06 -0.05 0.00 0.00 0.00 0.00 33.22 30.64 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 -2.84 5.13 0.02 1.12 -4.23 0.03 -4.88 115.64 110.00 1hxm s THR 47 Ca 0.04 -0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 59.81 1hxm s THR 47 Cb -0.01 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1hxm s THR 47 CO 0.86 0.19 0.98 0.12 -0.54 0.00 0.00 174.62 176.23 1hxm s PHE 48 N -1.42 3.69 -0.06 3.99 5.36 -1.26 -1.66 117.98 126.62 1hxm s PHE 48 Ca 0.31 1.72 -0.07 0.00 -0.96 0.00 0.00 56.93 57.93 1hxm s PHE 48 Cb -0.13 -3.11 -0.04 0.00 -0.34 0.00 0.00 43.02 39.41 1hxm s PHE 48 CO 0.24 0.03 -0.15 -0.89 -1.46 0.00 0.00 175.22 172.98 1hxm n ILE 49 N 3.67 1.09 -3.86 3.12 5.41 0.12 -4.25 119.36 124.66 1hxm n ILE 49 Ca 0.05 0.12 -0.11 0.00 1.00 0.00 0.00 62.75 63.81 1hxm n ILE 49 Cb 0.51 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.33 0.01 -0.02 1.39 5.04 -0.95 -2.28 117.35 118.21 1hxm s TYR 50 Ca -0.14 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 1hxm s TYR 50 Cb 0.04 -0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.33 1hxm s TYR 50 CO 0.20 -0.26 0.01 0.50 -1.34 0.00 0.00 175.55 174.65 1hxm s ARG 51 N -1.20 0.17 0.00 4.97 3.52 -0.23 -0.30 118.95 125.89 1hxm s ARG 51 Ca -0.13 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 1hxm s ARG 51 Cb -0.07 -0.36 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 1hxm s ARG 51 CO 0.01 -0.12 0.00 -1.91 -0.81 0.00 0.00 175.30 172.47 1hxm n GLU 52 N 4.01 0.00 -2.29 5.12 4.07 -0.12 -2.57 120.64 128.87 1hxm n GLU 52 Ca -0.26 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.82 1hxm n GLU 52 Cb 0.51 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.88 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 0.00 -2.82 -0.45 5.31 4.76 -1.26 -4.40 118.16 119.30 1hxm n LYS 53 Ca 0.00 2.33 -0.01 0.00 -2.87 0.00 0.00 58.31 57.76 1hxm n LYS 53 Cb 0.00 -3.92 -0.00 0.00 -1.84 0.00 0.00 35.03 29.27 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 0.85 -1.80 -4.57 4.39 8.00 -1.26 -4.92 116.55 117.23 1hxm n ASP 54 Ca -0.16 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 1hxm n ASP 54 Cb 0.24 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.80 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 -0.51 4.85 0.20 0.53 1.01 -1.06 -5.00 121.20 121.22 1hxm s ILE 55 Ca 0.00 0.66 0.11 0.00 0.00 0.00 0.00 60.65 61.42 1hxm s ILE 55 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1hxm s ILE 55 CO 0.00 -0.35 -0.22 -0.31 0.00 0.00 0.00 174.94 174.06 1hxm s TYR 56 N 2.82 2.34 0.60 3.97 2.02 -1.26 -1.06 117.35 126.77 1hxm s TYR 56 Ca 0.26 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1hxm s TYR 56 Cb -0.14 -1.14 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1hxm s TYR 56 CO 0.15 0.53 0.91 0.20 -1.57 0.00 0.00 175.55 175.77 1hxm s GLY 57 N -2.79 1.61 -0.25 0.71 0.00 -0.97 -4.93 107.32 100.70 1hxm s GLY 57 Ca 0.22 -0.72 -0.36 0.00 0.00 0.00 0.00 44.72 43.86 1hxm s GLY 57 CO 0.11 -0.43 1.97 -1.05 0.00 0.00 0.00 173.10 173.70 1hxm n PRO 58 N -2.60 1.43 -0.85 2.90 -0.02 -1.26 -1.44 135.00 133.15 1hxm n PRO 58 Ca 0.05 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1hxm n PRO 58 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 5.22 0.51 0.00 -1.23 0.00 -1.26 -4.93 105.19 103.50 1hxm n GLY 59 Ca 0.31 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.85 0.00 -0.02 1.61 3.01 -0.52 -4.56 117.46 114.13 1hxm n PHE 60 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 1hxm n PHE 60 Cb 0.00 -0.15 0.12 0.00 -0.01 0.00 0.00 39.48 39.44 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 0.59 0.08 -1.08 3.64 -1.80 0.10 116.57 118.11 1hxm h LYS 61 Ca 0.00 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1hxm h LYS 61 Cb 0.41 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1hxm h LYS 61 CO 0.00 0.85 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.55 1hxm h ASP 62 N 0.50 -0.10 0.52 4.20 3.32 -1.95 -3.35 116.42 119.56 1hxm h ASP 62 Ca 0.05 -0.22 -0.29 0.00 0.02 0.00 0.00 57.03 56.59 1hxm h ASP 62 Cb 0.83 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 1hxm h ASP 62 CO 0.07 0.17 -1.64 -1.13 -1.72 0.00 0.00 179.24 174.99 1hxm h ASN 63 N -0.37 0.05 -2.01 6.45 -0.73 -1.80 -3.48 115.58 113.69 1hxm h ASN 63 Ca -0.01 -0.10 -0.53 0.00 1.87 0.00 0.00 56.30 57.54 1hxm h ASN 63 Cb 0.31 -0.02 -0.06 0.00 0.27 0.00 0.00 38.32 38.82 1hxm h ASN 63 CO 0.02 1.09 -0.53 -0.36 -0.37 0.00 0.00 177.43 177.27 1hxm s PHE 64 N -2.61 2.85 -0.25 0.67 0.08 0.36 -1.56 117.98 117.52 1hxm s PHE 64 Ca -0.05 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 1hxm s PHE 64 Cb 0.08 -1.53 0.14 0.00 -0.57 0.00 0.00 43.02 41.13 1hxm s PHE 64 CO 0.82 0.40 0.37 -1.14 -0.10 0.00 0.00 175.22 175.57 1hxm s GLN 65 N -3.85 0.35 0.45 0.44 0.74 -0.63 -4.53 119.66 112.62 1hxm s GLN 65 Ca 0.36 0.44 -0.05 0.00 0.05 0.00 0.00 55.36 56.16 1hxm s GLN 65 Cb -0.05 -0.50 -0.04 0.00 1.10 0.00 0.00 33.01 33.52 1hxm s GLN 65 CO 0.24 -0.71 0.75 0.20 -0.55 0.00 0.00 175.29 175.22 1hxm s GLY 66 N 2.53 1.56 -0.06 2.59 0.00 -1.26 -1.14 107.32 111.54 1hxm s GLY 66 Ca 0.12 -0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.03 1hxm s GLY 66 CO -0.18 -0.34 1.10 -0.35 0.00 0.00 0.00 173.10 173.32 1hxm s ASP 67 N -3.92 -0.19 -0.02 1.64 -1.08 -0.41 -4.93 116.67 107.76 1hxm s ASP 67 Ca 0.47 -0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.47 1hxm s ASP 67 Cb -0.10 0.26 -0.01 0.00 -1.46 0.00 0.00 42.92 41.61 1hxm s ASP 67 CO 0.42 -0.44 -0.17 0.27 0.52 0.00 0.00 175.17 175.77 1hxm s ILE 68 N -2.73 1.32 -0.91 4.11 -4.36 -1.26 -0.99 121.20 116.39 1hxm s ILE 68 Ca 0.09 -0.71 -0.01 0.00 -0.26 0.00 0.00 60.65 59.77 1hxm s ILE 68 Cb 0.00 -1.11 0.26 0.00 1.25 0.00 0.00 42.46 42.86 1hxm s ILE 68 CO -0.05 0.38 1.02 -0.67 0.24 0.00 0.00 174.94 175.86 1hxm n ASP 69 N 2.73 4.88 -0.17 4.36 -0.08 -0.39 -4.89 116.55 122.99 1hxm n ASP 69 Ca -0.15 -3.30 0.29 0.00 -1.51 0.00 0.00 54.79 50.13 1hxm n ASP 69 Cb 0.54 -1.04 0.67 0.00 2.34 0.00 0.00 41.12 43.63 1hxm n ASP 69 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1hxm h ILE 70 N 3.60 0.26 -0.66 5.18 2.04 -1.95 -1.10 117.51 124.88 1hxm h ILE 70 Ca 0.19 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 1hxm h ILE 70 Cb 0.71 0.36 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 1hxm h ILE 70 CO 1.01 0.00 -0.36 0.00 0.00 0.00 0.00 178.15 178.80 1hxm h ALA 71 N 1.17 -0.07 -1.76 1.87 0.00 -1.95 -2.97 119.26 115.56 1hxm h ALA 71 Ca 0.44 0.17 -0.52 0.00 0.00 0.00 0.00 54.91 55.00 1hxm h ALA 71 Cb 2.13 0.86 -0.41 0.00 0.00 0.00 0.00 17.79 20.36 1hxm h ALA 71 CO -0.00 -0.70 -0.91 1.63 0.00 0.00 0.00 179.25 179.27 1hxm n LYS 72 N -5.43 2.34 -3.65 0.00 4.01 -0.44 -4.99 118.16 109.99 1hxm n LYS 72 Ca 0.05 -4.10 -0.16 0.00 -0.51 0.00 0.00 58.31 53.59 1hxm n LYS 72 Cb 0.36 -1.92 -0.01 0.00 -0.51 0.00 0.00 35.03 32.96 1hxm n LYS 72 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1hxm n ASN 73 N -0.15 -0.93 -4.63 4.39 3.02 -1.12 -4.81 115.26 111.03 1hxm n ASN 73 Ca 0.27 -0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 54.01 1hxm n ASN 73 Cb 0.61 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 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 -5.53 3.32 -0.18 3.41 1.02 -1.04 -2.16 118.68 117.52 1hxm s LEU 74 Ca 0.13 -0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.21 1hxm s LEU 74 Cb -0.07 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.28 1hxm s LEU 74 CO 0.37 0.32 -0.05 0.00 0.02 0.00 0.00 176.35 177.00 1hxm s ALA 75 N -0.96 2.86 0.09 4.21 0.00 0.65 -1.26 121.76 127.35 1hxm s ALA 75 Ca 0.16 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.22 1hxm s ALA 75 Cb -0.11 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1hxm s ALA 75 CO 0.06 -0.06 -0.21 0.14 0.00 0.00 0.00 175.76 175.70 1hxm s VAL 76 N 0.84 1.68 -0.08 0.00 -7.23 -0.16 -0.78 120.40 114.68 1hxm s VAL 76 Ca -0.01 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1hxm s VAL 76 Cb -0.15 -1.52 0.04 0.00 0.56 0.00 0.00 36.38 35.31 1hxm s VAL 76 CO 0.01 -0.03 0.07 -0.22 -0.31 0.00 0.00 175.10 174.62 1hxm s LEU 77 N -1.80 0.22 -0.19 1.32 2.96 0.09 -1.29 118.68 119.98 1hxm s LEU 77 Ca 0.06 -0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.75 1hxm s LEU 77 Cb -0.10 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 1hxm s LEU 77 CO 0.04 -0.28 0.14 -0.75 -1.32 0.00 0.00 176.35 174.18 1hxm s LYS 78 N 2.15 4.11 -0.31 1.98 2.20 -0.30 0.22 119.74 129.81 1hxm s LYS 78 Ca 0.04 -0.19 -0.12 0.00 -0.36 0.00 0.00 55.97 55.35 1hxm s LYS 78 Cb -0.13 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1hxm s LYS 78 CO -0.05 0.35 0.21 0.42 -0.36 0.00 0.00 175.35 175.92 1hxm s ILE 79 N 0.21 5.26 -0.10 5.43 1.01 0.28 -1.61 121.20 131.68 1hxm s ILE 79 Ca 0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 1hxm s ILE 79 Cb -0.11 -3.59 -0.11 0.00 0.01 0.00 0.00 42.46 38.65 1hxm s ILE 79 CO -0.01 0.14 0.43 -0.07 0.00 0.00 0.00 174.94 175.43 1hxm h LEU 80 N 8.42 -0.06 -6.94 2.97 3.38 -1.53 0.26 115.31 121.81 1hxm h LEU 80 Ca -0.33 -0.37 -0.61 0.00 0.09 0.00 0.00 57.88 56.65 1hxm h LEU 80 Cb 1.17 0.02 -0.41 0.00 0.09 0.00 0.00 40.66 41.53 1hxm h LEU 80 CO 0.59 0.60 -0.66 0.00 0.09 0.00 0.00 178.44 179.05 1hxm s ALA 81 N -2.73 3.25 0.60 1.53 0.00 -1.26 -2.64 121.76 120.50 1hxm s ALA 81 Ca -0.09 -3.50 -0.18 0.00 0.00 0.00 0.00 51.96 48.20 1hxm s ALA 81 Cb -0.01 -2.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.02 1hxm s ALA 81 CO 0.31 -2.07 0.77 -2.30 0.00 0.00 0.00 175.76 172.47 1hxm n PRO 82 N 2.23 0.68 -3.74 0.00 -0.02 -1.26 -4.63 135.00 128.25 1hxm n PRO 82 Ca 0.21 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1hxm n PRO 82 Cb 0.38 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.33 -1.38 0.02 2.55 3.41 -1.26 -1.95 113.62 114.68 1hxm n SER 83 Ca 0.13 -2.70 -0.10 0.00 -0.26 0.00 0.00 58.87 55.94 1hxm n SER 83 Cb 0.48 2.52 -0.04 0.00 -0.26 0.00 0.00 64.21 66.90 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 -0.15 0.00 4.33 3.07 -1.95 -1.59 114.58 118.30 1hxm h GLU 84 Ca -0.26 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1hxm h GLU 84 Cb 1.10 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1hxm h GLU 84 CO 0.35 -0.10 0.26 0.00 -1.40 0.00 0.00 179.01 178.12 1hxm h ARG 85 N -0.15 0.00 -0.02 2.33 3.08 -2.00 -1.22 114.38 116.41 1hxm h ARG 85 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1hxm h ARG 85 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1hxm h ARG 85 CO -0.15 0.00 -0.02 -0.25 -1.07 0.00 0.00 179.97 178.47 1hxm n ASP 86 N -2.23 1.74 -4.70 7.04 8.00 -0.60 -4.89 116.55 120.92 1hxm n ASP 86 Ca -0.01 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 1hxm n ASP 86 Cb 0.29 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.04 4.48 0.00 -1.24 2.12 -0.46 -4.89 118.70 116.67 1hxm s GLU 87 Ca 0.35 1.48 0.00 0.00 0.36 0.00 0.00 54.97 57.16 1hxm s GLU 87 Cb 0.21 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1hxm s GLU 87 CO 0.34 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 1hxm n GLY 88 N 3.05 -0.51 3.78 -1.50 0.00 -0.89 -4.27 105.19 104.86 1hxm n GLY 88 Ca 0.08 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 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 5.69 -0.10 1.61 0.01 0.47 -0.21 113.70 117.17 1hxm s SER 89 Ca 0.00 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.45 1hxm s SER 89 Cb 0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1hxm s SER 89 CO 0.00 0.28 -0.21 -0.31 0.41 0.00 0.00 173.24 173.41 1hxm s TYR 90 N -1.18 2.35 -0.04 2.43 2.02 -0.16 0.00 117.35 122.77 1hxm s TYR 90 Ca 0.22 -1.00 0.06 0.00 -0.37 0.00 0.00 57.07 55.98 1hxm s TYR 90 Cb -0.12 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1hxm s TYR 90 CO 0.13 -0.43 -0.21 0.71 -1.57 0.00 0.00 175.55 174.18 1hxm s TYR 91 N 0.52 2.49 -0.15 2.71 2.02 0.20 -1.97 117.35 123.17 1hxm s TYR 91 Ca -0.15 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1hxm s TYR 91 Cb -0.17 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 1hxm s TYR 91 CO 0.06 0.03 -0.03 0.00 -1.57 0.00 0.00 175.55 174.03 1hxm s ALA 93 N 0.21 0.54 0.45 0.00 0.00 0.06 -1.62 121.76 121.39 1hxm s ALA 93 Ca -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1hxm s ALA 93 Cb -0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1hxm s ALA 93 CO 0.03 0.06 0.06 0.00 0.00 0.00 0.00 175.76 175.91 1hxm s ASP 95 N -3.72 -0.28 0.80 0.00 -4.77 -1.02 -1.37 116.67 106.31 1hxm s ASP 95 Ca 0.17 -0.09 -0.12 0.00 -3.30 0.00 0.00 52.55 49.21 1hxm s ASP 95 Cb 0.03 0.36 0.07 0.00 -1.09 0.00 0.00 42.92 42.29 1hxm s ASP 95 CO 0.10 -0.61 1.10 0.42 0.70 0.00 0.00 175.17 176.88 1hxm s THR 96 N -3.02 3.03 -0.43 2.11 -4.23 -1.26 -1.42 115.64 110.42 1hxm s THR 96 Ca 0.08 0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1hxm s THR 96 Cb -0.01 -3.09 0.12 0.00 1.34 0.00 0.00 72.50 70.86 1hxm s THR 96 CO -0.06 -0.44 0.20 -1.48 -0.54 0.00 0.00 174.62 172.30 1hxm s LEU 97 N -5.77 3.34 -0.85 4.79 0.05 -1.26 -4.76 118.68 114.23 1hxm s LEU 97 Ca 0.61 -2.53 -0.03 0.00 0.05 0.00 0.00 54.13 52.22 1hxm s LEU 97 Cb -0.14 -1.25 -0.01 0.00 -2.05 0.00 0.00 46.19 42.73 1hxm s LEU 97 CO 0.54 -0.29 0.72 0.61 -0.55 0.00 0.00 176.35 177.38 1hxm n GLY 98 N 3.70 -1.22 3.82 -3.48 0.00 -1.26 -5.00 105.19 101.75 1hxm n GLY 98 Ca 0.05 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.94 2.86 -1.61 1.61 1.75 -1.26 -4.93 119.30 113.77 1hxm s MET 99 Ca 0.12 0.94 -0.10 0.00 -1.25 0.00 0.00 55.69 55.39 1hxm s MET 99 Cb -0.03 -1.98 -0.08 0.00 2.84 0.00 0.00 34.83 35.58 1hxm s MET 99 CO 0.79 -1.15 2.91 0.41 -0.65 0.00 0.00 175.02 177.34 1hxm n GLY 100 N -1.98 4.25 0.00 2.11 0.00 -1.26 -4.75 105.19 103.56 1hxm n GLY 100 Ca 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 3.62 -0.82 2.14 -0.02 0.00 -1.26 -4.99 105.19 103.86 1hxm n GLY 101 Ca 0.77 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 46.26 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 2.31 -0.98 1.61 0.00 -1.26 -5.02 120.64 117.30 1hxm n GLU 102 Ca 0.00 -2.59 -0.35 0.00 0.00 0.00 0.00 57.16 54.22 1hxm n GLU 102 Cb 0.00 -2.01 0.06 0.00 0.00 0.00 0.00 31.44 29.49 1hxm n GLU 102 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1hxm n TYR 103 N -0.46 -3.63 -3.76 -1.84 -0.00 -1.26 -4.96 117.16 101.25 1hxm n TYR 103 Ca 0.50 0.11 -0.35 0.00 -0.00 0.00 0.00 57.90 58.15 1hxm n TYR 103 Cb 0.71 -1.59 -0.09 0.00 -0.00 0.00 0.00 39.34 38.37 1hxm n TYR 103 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1hxm s THR 104 N -2.11 5.27 -0.01 -3.48 -4.23 -1.26 -4.98 115.64 104.84 1hxm s THR 104 Ca 0.48 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1hxm s THR 104 Cb -0.22 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.21 1hxm s THR 104 CO 0.75 0.42 1.99 0.47 -0.54 0.00 0.00 174.62 177.71 1hxm n ASP 105 N 3.74 5.35 -4.85 3.99 9.92 -1.26 -4.82 116.55 128.62 1hxm n ASP 105 Ca -0.16 -2.42 -0.35 0.00 -0.53 0.00 0.00 54.79 51.33 1hxm n ASP 105 Cb 0.52 -1.12 -0.06 0.00 -0.64 0.00 0.00 41.12 39.82 1hxm n ASP 105 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1hxm s LYS 106 N -0.04 3.97 0.22 -1.24 -2.85 -1.26 -5.07 119.74 113.46 1hxm s LYS 106 Ca 0.01 0.48 -0.02 0.00 -1.00 0.00 0.00 55.97 55.43 1hxm s LYS 106 Cb 0.01 -2.90 -0.05 0.00 -2.06 0.00 0.00 37.83 32.83 1hxm s LYS 106 CO -0.00 0.46 0.43 -0.51 0.10 0.00 0.00 175.35 175.83 1hxm s LEU 107 N -2.04 4.19 -0.16 2.77 1.43 -1.26 -4.67 118.68 118.94 1hxm s LEU 107 Ca 0.39 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1hxm s LEU 107 Cb -0.15 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1hxm s LEU 107 CO 0.19 -0.07 -0.11 -0.63 0.23 0.00 0.00 176.35 175.96 1hxm s ILE 108 N -1.90 3.03 0.28 -0.59 1.01 -0.47 -4.94 121.20 117.63 1hxm s ILE 108 Ca 0.40 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.46 1hxm s ILE 108 Cb -0.11 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1hxm s ILE 108 CO 0.29 0.50 0.41 -0.36 0.00 0.00 0.00 174.94 175.77 1hxm s PHE 109 N 0.76 3.29 0.34 3.97 0.08 -1.26 -1.40 117.98 123.77 1hxm s PHE 109 Ca -0.05 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 56.98 1hxm s PHE 109 Cb -0.15 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 1hxm s PHE 109 CO 0.01 0.24 0.07 0.20 -0.10 0.00 0.00 175.22 175.64 1hxm s GLY 110 N -4.07 2.03 0.61 4.36 0.00 -0.64 -4.46 107.32 105.15 1hxm s GLY 110 Ca 0.39 -1.92 -0.18 0.00 0.00 0.00 0.00 44.72 43.02 1hxm s GLY 110 CO 0.30 -1.85 1.16 0.54 0.00 0.00 0.00 173.10 173.25 1hxm s LYS 111 N -3.77 2.95 0.72 2.90 1.02 -1.26 -4.61 119.74 117.70 1hxm s LYS 111 Ca 0.36 1.65 -0.11 0.00 0.02 0.00 0.00 55.97 57.89 1hxm s LYS 111 Cb -0.01 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1hxm s LYS 111 CO 0.21 -1.18 1.07 0.20 -0.92 0.00 0.00 175.35 174.73 1hxm s GLY 112 N -1.93 1.65 -0.15 -3.33 0.00 -1.26 -4.46 107.32 97.83 1hxm s GLY 112 Ca 0.73 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 45.38 1hxm s GLY 112 CO 0.34 0.27 -0.17 -1.08 0.00 0.00 0.00 173.10 172.46 1hxm s THR 113 N -3.13 1.76 -0.13 0.90 -1.32 -0.83 -4.81 115.64 108.07 1hxm s THR 113 Ca 0.59 -0.76 -0.23 0.00 -1.21 0.00 0.00 61.69 60.07 1hxm s THR 113 Cb -0.13 -1.61 -0.03 0.00 -1.51 0.00 0.00 72.50 69.21 1hxm s THR 113 CO 0.54 0.49 0.72 -0.60 -2.21 0.00 0.00 174.62 173.56 1hxm s ARG 114 N 1.30 4.34 -0.12 7.08 3.52 0.22 -0.99 118.95 134.31 1hxm s ARG 114 Ca 0.02 0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 56.46 1hxm s ARG 114 Cb -0.13 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1hxm s ARG 114 CO -0.09 -0.12 -0.06 0.14 -0.81 0.00 0.00 175.30 174.36 1hxm s VAL 115 N 1.44 3.76 -0.13 7.11 -7.23 0.71 -0.64 120.40 125.42 1hxm s VAL 115 Ca 0.36 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 1hxm s VAL 115 Cb -0.17 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1hxm s VAL 115 CO 0.15 0.54 -0.15 0.42 -0.31 0.00 0.00 175.10 175.74 1hxm s THR 116 N -0.11 2.77 -0.23 5.32 -4.23 -1.17 -2.09 115.64 115.91 1hxm s THR 116 Ca 0.02 -0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 59.68 1hxm s THR 116 Cb -0.13 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 1hxm s THR 116 CO 0.03 0.53 0.14 -0.69 -0.54 0.00 0.00 174.62 174.08 1hxm s VAL 117 N 0.51 5.22 0.02 2.29 1.01 -1.26 -1.05 120.40 127.14 1hxm s VAL 117 Ca -0.10 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1hxm s VAL 117 Cb -0.16 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1hxm s VAL 117 CO 0.04 0.38 -0.14 -1.61 0.00 0.00 0.00 175.10 173.76 1hxm s GLU 118 N 0.89 1.04 0.74 2.72 0.41 -0.83 -4.93 118.70 118.74 1hxm s GLU 118 Ca 0.07 -0.66 -0.16 0.00 -0.41 0.00 0.00 54.97 53.81 1hxm s GLU 118 Cb -0.13 -1.04 -0.04 0.00 -1.78 0.00 0.00 34.13 31.14 1hxm s GLU 118 CO 0.03 0.27 0.44 -2.30 -0.49 0.00 0.00 175.26 173.21 1hxm n PRO 119 N 2.24 0.23 -3.08 0.39 -0.02 -1.26 -2.25 135.00 131.25 1hxm n PRO 119 Ca -0.16 0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.10 1hxm n PRO 119 Cb 0.55 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 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 -2.73 4.11 -0.39 -0.52 1.70 -1.26 -4.65 118.95 115.21 1hxm s ARG 120 Ca 0.63 0.79 -0.39 0.00 -0.47 0.00 0.00 55.73 56.30 1hxm s ARG 120 Cb -0.34 -2.51 -0.14 0.00 -0.57 0.00 0.00 34.95 31.39 1hxm s ARG 120 CO 0.60 0.19 2.13 0.45 -1.08 0.00 0.00 175.30 177.59 1hxm n SER 121 N -0.13 1.68 -2.29 -2.89 2.88 -1.26 -4.90 113.62 106.70 1hxm n SER 121 Ca 0.03 0.56 -0.10 0.00 -1.33 0.00 0.00 58.87 58.02 1hxm n SER 121 Cb 0.53 -1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 62.82 1hxm n SER 121 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hxm n GLN 122 N 7.71 0.49 -2.93 -1.46 10.64 -1.26 -5.14 117.38 125.43 1hxm n GLN 122 Ca 0.45 -1.54 -0.33 0.00 -1.83 0.00 0.00 57.00 53.75 1hxm n GLN 122 Cb 0.13 1.04 -0.06 0.00 -0.86 0.00 0.00 30.24 30.48 1hxm n GLN 122 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1hxm s PRO 123 N -2.66 4.11 0.98 2.61 0.04 -1.26 -5.00 135.00 133.82 1hxm s PRO 123 Ca 0.14 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1hxm s PRO 123 Cb 0.01 -2.28 0.15 0.00 0.04 0.00 0.00 34.50 32.42 1hxm s PRO 123 CO 0.10 0.03 0.93 0.72 0.04 0.00 0.00 177.00 178.82 1hxm n HIS 124 N -0.59 -0.08 -3.67 0.56 8.25 -1.26 -4.85 115.22 113.58 1hxm n HIS 124 Ca 0.05 0.25 -0.10 0.00 -0.26 0.00 0.00 57.72 57.67 1hxm n HIS 124 Cb 0.54 -1.88 -0.10 0.00 1.12 0.00 0.00 29.99 29.66 1hxm n HIS 124 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1hxm s THR 125 N -2.53 -0.50 0.18 1.59 2.01 -0.72 -4.89 115.64 110.79 1hxm s THR 125 Ca 0.65 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 1hxm s THR 125 Cb -0.23 -0.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 1hxm s THR 125 CO 0.62 0.07 1.33 -0.75 -0.69 0.00 0.00 174.62 175.20 1hxm s LYS 126 N 2.36 4.37 0.66 4.92 2.20 -1.26 -2.92 119.74 130.07 1hxm s LYS 126 Ca -0.03 2.07 -0.06 0.00 -0.36 0.00 0.00 55.97 57.59 1hxm s LYS 126 Cb -0.11 -3.20 0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1hxm s LYS 126 CO -0.12 -0.30 0.97 -1.25 -0.36 0.00 0.00 175.35 174.29 1hxm s PRO 127 N 0.11 2.46 0.11 4.03 0.04 -1.25 -4.76 135.00 135.73 1hxm s PRO 127 Ca 0.58 -0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.47 1hxm s PRO 127 Cb -0.37 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1hxm s PRO 127 CO 0.37 -1.04 0.16 -1.12 0.04 0.00 0.00 177.00 175.41 1hxm s SER 128 N -4.44 5.89 -0.06 6.66 0.01 -0.58 -4.94 113.70 116.24 1hxm s SER 128 Ca 0.58 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 1hxm s SER 128 Cb -0.11 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.48 1hxm s SER 128 CO 0.45 0.13 0.01 -0.69 0.41 0.00 0.00 173.24 173.54 1hxm s VAL 129 N -1.57 0.29 0.25 3.43 1.01 -1.26 -1.25 120.40 121.30 1hxm s VAL 129 Ca 0.32 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1hxm s VAL 129 Cb -0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1hxm s VAL 129 CO 0.25 0.23 -0.10 -0.36 0.00 0.00 0.00 175.10 175.12 1hxm s PHE 130 N 1.80 1.85 -0.07 5.22 0.40 -0.68 -4.28 117.98 122.21 1hxm s PHE 130 Ca 0.02 -0.64 -0.03 0.00 -0.60 0.00 0.00 56.93 55.68 1hxm s PHE 130 Cb -0.13 -0.97 0.04 0.00 0.51 0.00 0.00 43.02 42.48 1hxm s PHE 130 CO -0.04 0.32 0.13 0.54 0.70 0.00 0.00 175.22 176.87 1hxm s VAL 131 N -2.99 -0.16 0.07 -0.44 0.11 -1.26 0.83 120.40 116.56 1hxm s VAL 131 Ca 0.27 0.30 0.05 0.00 -2.93 0.00 0.00 61.98 59.67 1hxm s VAL 131 Cb 0.02 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1hxm s VAL 131 CO 0.10 0.13 -0.06 0.00 -3.33 0.00 0.00 175.10 171.93 1hxm s MET 132 N 1.83 2.39 0.37 1.54 0.23 -0.76 -4.95 119.30 119.95 1hxm s MET 132 Ca -0.01 -0.87 0.04 0.00 -1.03 0.00 0.00 55.69 53.81 1hxm s MET 132 Cb -0.12 -2.44 -0.03 0.00 -1.53 0.00 0.00 34.83 30.71 1hxm s MET 132 CO -0.05 0.55 0.14 0.15 -2.03 0.00 0.00 175.02 173.78 1hxm s LYS 133 N -1.97 1.82 -0.34 3.16 1.02 -1.26 -1.18 119.74 120.99 1hxm s LYS 133 Ca 0.21 -2.09 -0.07 0.00 0.02 0.00 0.00 55.97 54.05 1hxm s LYS 133 Cb -0.11 -0.44 0.22 0.00 -0.52 0.00 0.00 37.83 36.98 1hxm s LYS 133 CO 0.13 -0.46 1.13 -1.71 -0.92 0.00 0.00 175.35 173.51 1hxm n ASN 134 N -1.20 -1.40 -2.91 2.83 2.85 0.06 -4.99 115.26 110.50 1hxm n ASN 134 Ca -0.03 -1.01 -0.02 0.00 -0.11 0.00 0.00 54.58 53.41 1hxm n ASN 134 Cb 0.65 0.71 -0.01 0.00 1.24 0.00 0.00 39.78 42.37 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 2.45 -2.17 4.68 8.20 0.00 -1.26 -2.81 105.19 114.27 1hxm n GLY 135 Ca 0.10 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 1.79 0.00 -3.02 2.61 -2.24 -1.26 -4.89 114.28 107.27 1hxm n THR 136 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 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 -0.98 6.54 -0.03 3.42 -0.87 -1.12 0.98 114.94 122.87 1hxm s ASN 137 Ca 0.00 0.39 0.04 0.00 -1.57 0.00 0.00 52.86 51.72 1hxm s ASN 137 Cb 0.00 -2.37 -0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1hxm s ASN 137 CO 0.00 -0.62 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.08 1hxm s VAL 138 N 2.87 1.15 -0.06 1.60 1.01 -0.73 -0.76 120.40 125.48 1hxm s VAL 138 Ca 0.29 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1hxm s VAL 138 Cb -0.14 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1hxm s VAL 138 CO 0.14 0.34 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 1hxm s ALA 139 N 0.05 1.13 -0.05 5.51 0.00 -0.33 -1.64 121.76 126.42 1hxm s ALA 139 Ca -0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 1hxm s ALA 139 Cb -0.10 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1hxm s ALA 139 CO 0.01 0.08 0.48 0.00 0.00 0.00 0.00 175.76 176.33 1hxm s LEU 141 N -0.15 4.48 -0.30 0.00 2.96 0.24 -1.97 118.68 123.94 1hxm s LEU 141 Ca 0.26 -2.16 -0.20 0.00 -0.22 0.00 0.00 54.13 51.81 1hxm s LEU 141 Cb -0.16 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1hxm s LEU 141 CO 0.13 -0.37 0.61 -0.69 -1.32 0.00 0.00 176.35 174.70 1hxm s VAL 142 N 0.90 4.96 -0.09 1.68 1.01 -0.05 -1.69 120.40 127.11 1hxm s VAL 142 Ca 0.11 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 1hxm s VAL 142 Cb -0.19 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1hxm s VAL 142 CO -0.09 -0.12 -0.03 -0.54 0.00 0.00 0.00 175.10 174.32 1hxm s LYS 143 N 2.55 3.02 -0.24 2.72 1.02 -0.38 -0.54 119.74 127.89 1hxm s LYS 143 Ca 0.24 -0.48 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 1hxm s LYS 143 Cb -0.15 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 1hxm s LYS 143 CO 0.12 0.61 0.16 0.39 -0.92 0.00 0.00 175.35 175.70 1hxm n GLU 144 N 2.41 -2.10 -3.71 1.68 -0.58 -0.60 -1.53 120.64 116.22 1hxm n GLU 144 Ca -0.18 1.88 -0.11 0.00 -0.42 0.00 0.00 57.16 58.32 1hxm n GLU 144 Cb 0.53 -3.59 -0.06 0.00 -0.57 0.00 0.00 31.44 27.75 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 -1.54 -0.14 -0.17 -0.32 -0.12 -0.86 -3.89 117.98 110.93 1hxm s PHE 145 Ca 0.08 -0.04 -0.22 0.00 -0.05 0.00 0.00 56.93 56.71 1hxm s PHE 145 Cb -0.01 0.15 0.06 0.00 -0.63 0.00 0.00 43.02 42.58 1hxm s PHE 145 CO 0.53 -0.57 0.57 -0.47 -0.05 0.00 0.00 175.22 175.23 1hxm s TYR 146 N -2.96 -0.60 0.00 3.49 5.04 -1.15 -2.23 117.35 118.94 1hxm s TYR 146 Ca -0.02 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1hxm s TYR 146 Cb 0.00 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.55 1hxm s TYR 146 CO -0.06 -0.37 0.00 -0.35 -1.34 0.00 0.00 175.55 173.43 1hxm n PRO 147 N 2.29 0.11 -0.00 4.97 -0.04 -1.26 -1.75 135.00 139.31 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 -6.15 0.54 3.64 -2.01 -3.45 116.57 109.11 1hxm h LYS 148 Ca 0.00 0.00 -0.70 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 0.46 1.04 -3.47 -2.27 0.00 0.00 179.45 175.21 1hxm n ASP 149 N -4.87 2.63 -3.60 4.20 2.03 -1.26 -4.94 116.55 110.74 1hxm n ASP 149 Ca -0.09 0.94 -0.13 0.00 0.52 0.00 0.00 54.79 56.03 1hxm n ASP 149 Cb 0.26 -1.22 -0.06 0.00 -0.72 0.00 0.00 41.12 39.38 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 4.32 0.04 -0.11 5.18 2.07 -1.26 -4.58 121.20 126.86 1hxm s ILE 150 Ca 0.99 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.94 1hxm s ILE 150 Cb -0.94 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 40.69 1hxm s ILE 150 CO 0.60 -0.17 -0.16 -0.13 -1.91 0.00 0.00 174.94 173.17 1hxm s ARG 151 N -2.48 2.27 -0.18 3.50 0.52 -0.92 -5.00 118.95 116.65 1hxm s ARG 151 Ca -0.05 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 54.55 1hxm s ARG 151 Cb -0.01 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 1hxm s ARG 151 CO -0.02 -0.05 -0.08 0.42 0.02 0.00 0.00 175.30 175.59 1hxm s ILE 152 N 0.93 3.18 -0.11 1.52 1.01 -1.26 -1.24 121.20 125.23 1hxm s ILE 152 Ca -0.08 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1hxm s ILE 152 Cb -0.15 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1hxm s ILE 152 CO -0.01 0.47 -0.21 0.20 0.00 0.00 0.00 174.94 175.39 1hxm s ASN 153 N 1.04 2.88 -0.51 3.58 0.01 0.13 -5.01 114.94 117.06 1hxm s ASN 153 Ca -0.00 -0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 51.46 1hxm s ASN 153 Cb -0.15 -1.32 0.10 0.00 0.41 0.00 0.00 41.25 40.29 1hxm s ASN 153 CO -0.01 0.10 0.48 -0.76 -1.51 0.00 0.00 177.10 175.40 1hxm s LEU 154 N 0.62 5.84 0.06 0.60 1.02 -1.26 -0.13 118.68 125.43 1hxm s LEU 154 Ca -0.13 -1.53 -0.30 0.00 0.02 0.00 0.00 54.13 52.19 1hxm s LEU 154 Cb -0.17 -2.22 -0.09 0.00 0.02 0.00 0.00 46.19 43.73 1hxm s LEU 154 CO 0.03 -0.79 1.95 0.52 0.02 0.00 0.00 176.35 178.08 1hxm n VAL 155 N 5.27 0.68 -3.63 -1.59 0.31 0.19 -4.89 118.33 114.67 1hxm n VAL 155 Ca -0.13 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 63.95 1hxm n VAL 155 Cb 0.42 -2.28 -0.07 0.00 -0.91 0.00 0.00 33.84 31.00 1hxm n VAL 155 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1hxm s SER 156 N 4.07 -0.72 -0.11 4.52 0.15 -1.26 -3.18 113.70 117.17 1hxm s SER 156 Ca 0.87 1.37 -0.12 0.00 0.70 0.00 0.00 55.95 58.78 1hxm s SER 156 Cb -0.44 1.39 -0.10 0.00 -1.71 0.00 0.00 66.02 65.15 1hxm s SER 156 CO 0.41 -0.25 0.34 0.28 1.20 0.00 0.00 173.24 175.22 1hxm h SER 157 N 4.87 -0.03 -3.58 5.45 0.02 -1.94 -3.43 113.55 114.91 1hxm h SER 157 Ca -0.29 -0.35 -0.70 0.00 -0.84 0.00 0.00 61.79 59.61 1hxm h SER 157 Cb 1.16 0.01 -0.28 0.00 0.14 0.00 0.00 62.40 63.43 1hxm h SER 157 CO 0.06 0.63 -0.55 -0.54 -1.14 0.00 0.00 176.83 175.30 1hxm s LYS 158 N -1.98 2.60 -0.10 3.45 -0.14 -1.26 -5.08 119.74 117.23 1hxm s LYS 158 Ca -0.07 -1.30 0.02 0.00 -1.36 0.00 0.00 55.97 53.26 1hxm s LYS 158 Cb -0.01 -3.61 -0.01 0.00 -1.68 0.00 0.00 37.83 32.52 1hxm s LYS 158 CO 0.27 -0.79 -0.16 -1.59 -0.76 0.00 0.00 175.35 172.31 1hxm s LYS 159 N 1.41 3.05 -0.03 1.68 -2.85 -1.26 -1.99 119.74 119.75 1hxm s LYS 159 Ca 0.01 -0.74 -0.03 0.00 -1.00 0.00 0.00 55.97 54.20 1hxm s LYS 159 Cb -0.21 -2.47 -0.02 0.00 -2.06 0.00 0.00 37.83 33.07 1hxm s LYS 159 CO 0.03 0.31 0.24 0.82 0.10 0.00 0.00 175.35 176.84 1hxm h ILE 160 N 5.19 0.00 -3.33 3.79 2.04 -0.54 -3.48 117.51 121.19 1hxm h ILE 160 Ca -0.30 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 1hxm h ILE 160 Cb 1.20 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.13 1hxm h ILE 160 CO 0.52 0.00 -0.17 0.42 0.00 0.00 0.00 178.15 178.92 1hxm s THR 161 N -1.82 0.08 -0.02 -0.27 -4.23 -1.02 -4.96 115.64 103.39 1hxm s THR 161 Ca -0.02 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.87 1hxm s THR 161 Cb 0.00 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1hxm s THR 161 CO 0.05 -0.36 -0.09 -1.61 -0.54 0.00 0.00 174.62 172.07 1hxm s GLU 162 N -3.12 0.93 0.19 3.99 2.02 -1.26 0.60 118.70 122.05 1hxm s GLU 162 Ca -0.01 -0.31 0.05 0.00 0.02 0.00 0.00 54.97 54.72 1hxm s GLU 162 Cb 0.01 -0.87 -0.04 0.00 0.10 0.00 0.00 34.13 33.33 1hxm s GLU 162 CO -0.07 0.12 0.21 -0.06 0.02 0.00 0.00 175.26 175.48 1hxm s PHE 163 N 0.14 3.24 0.27 1.61 0.08 0.17 -5.00 117.98 118.50 1hxm s PHE 163 Ca -0.02 -0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 1hxm s PHE 163 Cb -0.08 -1.52 -0.13 0.00 -0.57 0.00 0.00 43.02 40.72 1hxm s PHE 163 CO 0.00 0.51 1.38 -0.25 -0.10 0.00 0.00 175.22 176.76 1hxm n ASP 164 N -0.72 2.76 -4.34 1.36 8.00 -1.26 -4.34 116.55 118.00 1hxm n ASP 164 Ca -0.08 1.16 -0.29 0.00 0.71 0.00 0.00 54.79 56.28 1hxm n ASP 164 Cb 0.56 -1.44 0.17 0.00 -0.02 0.00 0.00 41.12 40.38 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 -0.78 0.59 -0.07 -0.24 0.04 -1.26 -4.72 135.00 128.56 1hxm s PRO 165 Ca 0.65 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1hxm s PRO 165 Cb -0.63 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1hxm s PRO 165 CO 0.53 -2.50 -0.05 0.00 0.04 0.00 0.00 177.00 175.02 1hxm s ALA 166 N -3.53 0.92 -0.18 8.56 0.00 -0.20 -4.97 121.76 122.37 1hxm s ALA 166 Ca 0.69 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 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 0.53 -0.20 0.01 0.42 0.00 0.00 0.00 175.76 176.53 1hxm s ILE 167 N 1.33 4.29 0.12 0.00 1.09 -1.26 -1.88 121.20 124.88 1hxm s ILE 167 Ca -0.04 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.34 1hxm s ILE 167 Cb -0.14 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 1hxm s ILE 167 CO -0.03 0.46 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.50 1hxm s VAL 168 N 0.52 0.96 0.09 2.92 1.01 -0.10 -4.98 120.40 120.83 1hxm s VAL 168 Ca 0.00 -1.92 -0.30 0.00 0.00 0.00 0.00 61.98 59.76 1hxm s VAL 168 Cb -0.14 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1hxm s VAL 168 CO 0.02 -0.74 0.97 -0.63 0.00 0.00 0.00 175.10 174.71 1hxm s ILE 169 N -3.22 4.58 0.61 2.22 1.01 -1.26 -0.48 121.20 124.66 1hxm s ILE 169 Ca 0.13 2.07 -0.06 0.00 0.00 0.00 0.00 60.65 62.78 1hxm s ILE 169 Cb 0.02 -4.32 0.02 0.00 0.01 0.00 0.00 42.46 38.19 1hxm s ILE 169 CO -0.01 0.28 0.92 -0.94 0.00 0.00 0.00 174.94 175.18 1hxm s SER 170 N 0.23 5.42 0.53 3.58 1.04 -0.74 -4.79 113.70 118.97 1hxm s SER 170 Ca 0.48 0.63 0.17 0.00 0.48 0.00 0.00 55.95 57.71 1hxm s SER 170 Cb -0.23 -1.55 1.32 0.00 0.10 0.00 0.00 66.02 65.67 1hxm s SER 170 CO 0.29 -1.17 2.16 -0.65 0.98 0.00 0.00 173.24 174.85 1hxm h PRO 171 N -0.24 0.00 0.00 4.02 0.11 -1.96 0.13 132.00 134.05 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1hxm h PRO 171 CO 0.60 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 1hxm n SER 172 N -4.46 0.00 -0.09 -2.05 7.64 -1.26 -4.85 113.62 108.56 1hxm n SER 172 Ca -0.03 -1.60 -0.01 0.00 1.01 0.00 0.00 58.87 58.24 1hxm n SER 172 Cb 0.09 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.68 0.50 0.00 0.23 0.00 0.44 -5.00 105.19 102.05 1hxm n GLY 173 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.69 0.82 -4.05 1.61 5.02 -1.25 -4.50 118.16 113.12 1hxm n LYS 174 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1hxm n LYS 174 Cb 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.97 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 4.20 0.48 0.13 2.13 2.02 -0.95 -1.80 117.35 123.57 1hxm s TYR 175 Ca 0.00 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 1hxm s TYR 175 Cb 0.00 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1hxm s TYR 175 CO 0.00 -0.23 0.02 -0.80 -1.57 0.00 0.00 175.55 172.98 1hxm s ASN 176 N -2.11 0.67 0.07 2.29 0.01 0.37 -1.56 114.94 114.68 1hxm s ASN 176 Ca -0.05 -1.16 -0.26 0.00 -0.71 0.00 0.00 52.86 50.68 1hxm s ASN 176 Cb -0.03 0.22 0.07 0.00 0.41 0.00 0.00 41.25 41.92 1hxm s ASN 176 CO -0.04 -0.65 0.62 0.00 -1.51 0.00 0.00 177.10 175.53 1hxm s ALA 177 N -3.88 -1.64 -0.02 0.60 0.00 0.30 -0.92 121.76 116.19 1hxm s ALA 177 Ca 0.21 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1hxm s ALA 177 Cb 0.07 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1hxm s ALA 177 CO 0.01 -0.60 0.07 0.08 0.00 0.00 0.00 175.76 175.32 1hxm s VAL 178 N -2.67 0.02 -0.03 0.00 1.01 -0.79 -0.87 120.40 117.07 1hxm s VAL 178 Ca -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1hxm s VAL 178 Cb -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1hxm s VAL 178 CO -0.03 -0.11 0.02 -0.75 0.00 0.00 0.00 175.10 174.22 1hxm s LYS 179 N -0.33 0.14 0.05 2.72 2.20 -0.83 -1.03 119.74 122.65 1hxm s LYS 179 Ca -0.04 0.16 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 1hxm s LYS 179 Cb -0.03 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.83 1hxm s LYS 179 CO 0.00 -0.19 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.19 1hxm s LEU 180 N 1.27 2.98 0.20 5.43 1.02 -1.26 -0.57 118.68 127.75 1hxm s LEU 180 Ca -0.06 -0.30 -0.18 0.00 0.02 0.00 0.00 54.13 53.60 1hxm s LEU 180 Cb -0.13 -1.75 0.03 0.00 0.02 0.00 0.00 46.19 44.36 1hxm s LEU 180 CO -0.03 0.24 0.55 -0.83 0.02 0.00 0.00 176.35 176.31 1hxm s GLY 181 N -1.70 -0.13 -0.14 -3.19 0.00 -0.65 -0.65 107.32 100.85 1hxm s GLY 181 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.71 1hxm s GLY 181 CO 0.09 -0.21 -0.11 0.54 0.00 0.00 0.00 173.10 173.42 1hxm s LYS 182 N -3.87 3.42 -0.00 2.90 1.02 0.20 -1.78 119.74 121.63 1hxm s LYS 182 Ca 0.09 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1hxm s LYS 182 Cb -0.02 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1hxm s LYS 182 CO -0.02 0.17 -0.00 0.71 -0.92 0.00 0.00 175.35 175.28 1hxm s TYR 183 N 0.48 0.09 0.06 3.18 2.02 0.27 0.27 117.35 123.72 1hxm s TYR 183 Ca -0.08 0.00 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 1hxm s TYR 183 Cb -0.15 -0.10 -0.18 0.00 -0.40 0.00 0.00 41.96 41.13 1hxm s TYR 183 CO 0.04 -0.02 1.56 0.93 -1.57 0.00 0.00 175.55 176.49 1hxm h GLU 184 N 6.33 -0.62 -1.32 -0.62 4.39 -1.70 -2.85 114.58 118.19 1hxm h GLU 184 Ca -0.28 0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.32 1hxm h GLU 184 Cb 1.19 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.91 1hxm h GLU 184 CO 0.50 -0.38 0.18 -0.40 -1.16 0.00 0.00 179.01 177.75 1hxm n ASP 185 N -5.34 4.33 -0.41 1.42 5.75 -1.26 -4.62 116.55 116.42 1hxm n ASP 185 Ca -0.12 -2.53 0.34 0.00 -0.01 0.00 0.00 54.79 52.47 1hxm n ASP 185 Cb 0.29 -0.80 0.64 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.66 0.23 0.13 -1.12 4.64 -1.83 0.20 113.55 116.47 1hxm h SER 186 Ca 0.15 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1hxm h SER 186 Cb 1.24 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1hxm h SER 186 CO 0.31 -0.05 -0.10 0.78 -0.87 0.00 0.00 176.83 176.90 1hxm h ASN 187 N 0.15 0.00 0.00 4.97 2.35 -1.88 -2.91 115.58 118.26 1hxm h ASN 187 Ca 0.72 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.37 1hxm h ASN 187 Cb 2.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.68 1hxm h ASN 187 CO -0.27 0.10 -2.10 -1.54 -1.65 0.00 0.00 177.43 171.98 1hxm n SER 188 N -4.20 0.00 -4.49 5.81 3.41 0.02 -5.01 113.62 109.17 1hxm n SER 188 Ca -0.03 0.00 -0.48 0.00 -0.26 0.00 0.00 58.87 58.11 1hxm n SER 188 Cb 0.18 1.74 -0.03 0.00 -0.26 0.00 0.00 64.21 65.84 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 -2.39 1.77 -4.26 -3.33 0.31 -0.97 -5.01 118.33 104.46 1hxm n VAL 189 Ca -0.11 -0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 63.63 1hxm n VAL 189 Cb 0.72 -0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 33.13 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 -0.88 0.37 -0.08 2.52 -4.23 -1.19 -4.98 115.64 107.16 1hxm s THR 190 Ca 0.65 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 1hxm s THR 190 Cb -0.86 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 70.49 1hxm s THR 190 CO 0.57 -0.10 -0.24 0.00 -0.54 0.00 0.00 174.62 174.31 1hxm s SER 192 N 0.14 2.33 0.09 0.00 0.01 0.81 -0.08 113.70 117.01 1hxm s SER 192 Ca -0.13 -0.38 0.10 0.00 1.31 0.00 0.00 55.95 56.85 1hxm s SER 192 Cb -0.16 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 1hxm s SER 192 CO 0.07 0.18 -0.24 -0.69 0.41 0.00 0.00 173.24 172.96 1hxm s VAL 193 N -0.04 2.37 -0.27 3.43 1.01 0.83 -0.69 120.40 127.03 1hxm s VAL 193 Ca -0.03 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.39 1hxm s VAL 193 Cb -0.12 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.28 1hxm s VAL 193 CO 0.02 0.20 -0.04 -1.58 0.00 0.00 0.00 175.10 173.71 1hxm s GLN 194 N -1.76 2.67 -0.11 2.72 2.00 -0.37 -1.18 119.66 123.63 1hxm s GLN 194 Ca 0.14 -1.10 -0.05 0.00 -2.00 0.00 0.00 55.36 52.35 1hxm s GLN 194 Cb -0.10 -3.06 0.05 0.00 0.80 0.00 0.00 33.01 30.70 1hxm s GLN 194 CO 0.05 -0.49 0.25 -1.58 -0.50 0.00 0.00 175.29 173.03 1hxm s HIS 195 N 1.29 -0.34 -1.41 1.67 5.65 -0.36 -2.17 115.29 119.63 1hxm s HIS 195 Ca -0.02 0.80 -0.07 0.00 0.25 0.00 0.00 55.06 56.02 1hxm s HIS 195 Cb -0.18 0.06 0.04 0.00 -1.18 0.00 0.00 32.58 31.32 1hxm s HIS 195 CO -0.03 -0.24 0.90 -3.47 -0.65 0.00 0.00 174.74 171.25 1hxm n ASP 196 N 4.22 -3.41 -0.11 9.88 2.03 -1.26 -0.50 116.55 127.39 1hxm n ASP 196 Ca -0.25 -0.76 -0.01 0.00 0.52 0.00 0.00 54.79 54.28 1hxm n ASP 196 Cb 0.53 -4.15 -0.01 0.00 -0.72 0.00 0.00 41.12 36.77 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 -2.96 -5.21 -4.84 1.67 3.02 -1.26 -4.98 115.26 100.71 1hxm n ASN 197 Ca -0.11 0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.25 1hxm n ASN 197 Cb 0.60 -2.84 -0.04 0.00 -0.61 0.00 0.00 39.78 36.88 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 -1.67 2.42 -0.15 3.52 1.02 0.35 -5.12 119.74 120.11 1hxm s LYS 198 Ca 0.00 -1.66 -0.01 0.00 0.02 0.00 0.00 55.97 54.31 1hxm s LYS 198 Cb 0.00 -2.24 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1hxm s LYS 198 CO 0.00 -0.20 -0.02 0.99 -0.92 0.00 0.00 175.35 175.20 1hxm s THR 199 N -2.53 0.76 -0.10 2.17 2.01 -1.26 -1.23 115.64 115.47 1hxm s THR 199 Ca 0.45 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1hxm s THR 199 Cb -0.01 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1hxm s THR 199 CO 0.26 0.08 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.53 1hxm s VAL 200 N 1.78 3.78 0.18 3.82 1.01 -0.33 -4.95 120.40 125.70 1hxm s VAL 200 Ca 0.02 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1hxm s VAL 200 Cb -0.15 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1hxm s VAL 200 CO -0.07 0.57 -0.07 -1.00 0.00 0.00 0.00 175.10 174.52 1hxm s HIS 201 N -0.44 2.68 0.33 5.22 3.76 -1.26 -0.12 115.29 125.46 1hxm s HIS 201 Ca 0.07 -0.20 0.07 0.00 -0.15 0.00 0.00 55.06 54.85 1hxm s HIS 201 Cb -0.12 -1.31 0.60 0.00 1.11 0.00 0.00 32.58 32.86 1hxm s HIS 201 CO 0.02 0.51 1.80 0.66 -0.85 0.00 0.00 174.74 176.89 1hxm h SER 202 N 2.88 0.27 0.91 1.40 4.64 -0.67 -1.86 113.55 121.12 1hxm h SER 202 Ca -0.47 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 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 0.55 0.53 0.00 0.35 -0.87 0.00 0.00 176.83 177.39 1hxm n THR 203 N -4.15 0.71 1.05 2.95 -2.24 -1.26 -2.69 114.28 108.66 1hxm n THR 203 Ca -0.01 0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1hxm n THR 203 Cb 0.37 -0.92 0.45 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.05 0.00 -0.42 3.42 9.92 -0.70 -2.51 116.55 124.21 1hxm n ASP 204 Ca 0.04 -0.58 0.05 0.00 -0.53 0.00 0.00 54.79 53.77 1hxm n ASP 204 Cb 0.28 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.85 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 -0.95 0.00 -0.49 1.24 3.72 -1.09 -5.02 117.46 114.86 1hxm n PHE 205 Ca 0.11 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 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