#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 5.39 -0.12 0.00 2.07 -1.26 -4.32 121.20 122.96 1hxm s ILE 2 Ca 0.00 0.34 -0.20 0.00 -1.41 0.00 0.00 60.65 59.38 1hxm s ILE 2 Cb 0.00 -3.48 0.05 0.00 0.13 0.00 0.00 42.46 39.16 1hxm s ILE 2 CO 0.00 0.59 0.50 -0.70 -1.91 0.00 0.00 174.94 173.42 1hxm s GLU 3 N -1.09 0.71 -0.11 3.50 2.12 -1.01 -4.99 118.70 117.83 1hxm s GLU 3 Ca 0.18 0.39 -0.01 0.00 0.36 0.00 0.00 54.97 55.89 1hxm s GLU 3 Cb -0.13 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1hxm s GLU 3 CO 0.07 -0.15 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.05 1hxm s LEU 4 N -0.43 3.07 -0.10 2.70 1.43 -1.26 -0.68 118.68 123.41 1hxm s LEU 4 Ca -0.06 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1hxm s LEU 4 Cb -0.03 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.52 1hxm s LEU 4 CO 0.04 0.26 -0.05 -0.69 0.23 0.00 0.00 176.35 176.13 1hxm s VAL 5 N -0.18 0.85 0.61 -1.59 1.01 0.93 -4.10 120.40 117.94 1hxm s VAL 5 Ca 0.02 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1hxm s VAL 5 Cb -0.13 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1hxm s VAL 5 CO 0.03 0.34 1.15 -2.16 0.00 0.00 0.00 175.10 174.46 1hxm s PRO 6 N 1.78 2.95 0.07 2.72 0.04 -1.26 -0.90 135.00 140.39 1hxm s PRO 6 Ca 0.05 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1hxm s PRO 6 Cb -0.12 -1.95 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 1hxm s PRO 6 CO -0.07 -1.18 1.60 1.49 0.04 0.00 0.00 177.00 178.88 1hxm h GLU 7 N 0.60 -0.65 -5.84 4.56 4.81 -1.81 -3.45 114.58 112.80 1hxm h GLU 7 Ca -0.49 0.04 -0.50 0.00 -0.13 0.00 0.00 59.36 58.29 1hxm h GLU 7 Cb 1.27 0.15 -0.21 0.00 0.63 0.00 0.00 28.75 30.58 1hxm h GLU 7 CO 0.55 -0.41 -0.81 -1.01 -0.73 0.00 0.00 179.01 176.60 1hxm s HIS 8 N -5.92 1.57 -0.01 0.92 3.76 -1.26 -5.04 115.29 109.30 1hxm s HIS 8 Ca -0.16 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.06 1hxm s HIS 8 Cb 0.04 -0.86 -0.19 0.00 1.11 0.00 0.00 32.58 32.67 1hxm s HIS 8 CO 0.62 0.15 1.28 1.96 -0.85 0.00 0.00 174.74 177.90 1hxm h GLN 9 N 4.12 0.08 -6.58 1.40 4.20 -1.87 -3.42 115.11 113.03 1hxm h GLN 9 Ca -0.44 -0.04 -0.70 0.00 0.06 0.00 0.00 58.65 57.53 1hxm h GLN 9 Cb 1.19 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.70 1hxm h GLN 9 CO 0.40 0.55 -0.86 0.99 -0.67 0.00 0.00 178.83 179.25 1hxm s THR 10 N -4.23 2.34 -0.28 -0.54 2.01 -1.26 0.78 115.64 114.46 1hxm s THR 10 Ca -0.16 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 60.71 1hxm s THR 10 Cb 0.02 -1.87 0.09 0.00 0.01 0.00 0.00 72.50 70.75 1hxm s THR 10 CO 0.69 0.51 0.12 -0.69 -0.69 0.00 0.00 174.62 174.56 1hxm s VAL 11 N -0.71 0.12 0.37 3.82 1.01 0.09 -4.92 120.40 120.19 1hxm s VAL 11 Ca 0.11 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1hxm s VAL 11 Cb -0.10 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 1hxm s VAL 11 CO 0.01 -0.65 1.02 -2.16 0.00 0.00 0.00 175.10 173.32 1hxm s PRO 12 N 2.01 4.30 0.04 2.72 0.04 -1.26 -3.15 135.00 139.70 1hxm s PRO 12 Ca 0.08 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 1hxm s PRO 12 Cb -0.16 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 1hxm s PRO 12 CO -0.30 -0.01 0.01 0.14 0.04 0.00 0.00 177.00 176.87 1hxm s VAL 13 N -1.64 0.18 -0.01 -0.36 -7.23 -0.23 -4.91 120.40 106.21 1hxm s VAL 13 Ca 0.55 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1hxm s VAL 13 Cb -0.21 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 1hxm s VAL 13 CO 0.27 -0.80 -0.06 -0.44 -0.31 0.00 0.00 175.10 173.76 1hxm s SER 14 N -2.46 4.69 0.36 4.85 0.01 -1.26 -1.73 113.70 118.16 1hxm s SER 14 Ca -0.00 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.88 1hxm s SER 14 Cb 0.02 -1.12 -0.12 0.00 0.21 0.00 0.00 66.02 65.01 1hxm s SER 14 CO -0.07 0.30 1.09 -0.38 0.41 0.00 0.00 173.24 174.58 1hxm n ILE 15 N 1.64 2.19 -0.24 1.44 5.41 -0.92 -1.60 119.36 127.29 1hxm n ILE 15 Ca -0.16 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.09 1hxm n ILE 15 Cb 0.53 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 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 1.07 1.08 3.39 7.39 0.00 -0.88 -4.67 105.19 112.57 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 -2.06 5.08 0.11 1.61 1.01 -0.63 -4.77 120.40 120.74 1hxm s VAL 17 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 61.98 60.62 1hxm s VAL 17 Cb 0.00 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 1hxm s VAL 17 CO 0.00 -0.49 1.03 -2.65 0.00 0.00 0.00 175.10 172.98 1hxm n PRO 18 N 5.15 0.53 -3.98 2.72 -0.02 -1.11 -4.54 135.00 133.75 1hxm n PRO 18 Ca -0.12 0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 1hxm n PRO 18 Cb 0.44 -1.61 -0.11 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.20 0.12 0.01 3.55 0.00 0.45 -5.00 121.76 120.70 1hxm s ALA 19 Ca 0.79 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1hxm s ALA 19 Cb -1.03 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1hxm s ALA 19 CO 0.54 -0.18 -0.22 0.95 0.00 0.00 0.00 175.76 176.84 1hxm s THR 20 N -1.68 1.79 -0.11 0.00 -4.23 -1.26 0.13 115.64 110.28 1hxm s THR 20 Ca -0.14 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1hxm s THR 20 Cb -0.08 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 1hxm s THR 20 CO -0.02 0.38 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.62 1hxm s LEU 21 N -0.86 3.15 0.27 4.79 1.43 0.15 -4.98 118.68 122.64 1hxm s LEU 21 Ca 0.09 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1hxm s LEU 21 Cb -0.09 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1hxm s LEU 21 CO 0.01 0.27 -0.12 -0.13 0.23 0.00 0.00 176.35 176.61 1hxm s ARG 22 N -0.27 1.56 -0.30 1.70 0.52 -1.26 -0.64 118.95 120.26 1hxm s ARG 22 Ca 0.04 -1.75 -0.08 0.00 -0.52 0.00 0.00 55.73 53.42 1hxm s ARG 22 Cb -0.13 -1.37 0.15 0.00 0.52 0.00 0.00 34.95 34.12 1hxm s ARG 22 CO 0.02 0.16 0.68 0.00 0.02 0.00 0.00 175.30 176.19 1hxm s SER 24 N 2.85 6.41 0.40 0.00 1.04 -0.08 -0.08 113.70 124.23 1hxm s SER 24 Ca 0.02 0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.99 1hxm s SER 24 Cb -0.12 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1hxm s SER 24 CO -0.19 -0.02 0.55 -0.32 0.98 0.00 0.00 173.24 174.24 1hxm s MET 25 N -3.13 2.91 -0.14 4.02 1.75 -1.05 -0.05 119.30 123.61 1hxm s MET 25 Ca 0.39 -1.15 -0.10 0.00 -1.25 0.00 0.00 55.69 53.59 1hxm s MET 25 Cb -0.11 -2.77 0.04 0.00 2.84 0.00 0.00 34.83 34.83 1hxm s MET 25 CO 0.28 -0.18 0.34 0.15 -0.65 0.00 0.00 175.02 174.96 1hxm s LYS 26 N -4.31 0.35 0.00 4.11 1.02 0.15 -4.90 119.74 116.16 1hxm s LYS 26 Ca 0.52 0.59 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1hxm s LYS 26 Cb -0.10 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1hxm s LYS 26 CO 0.33 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 1hxm n GLY 27 N 3.64 0.54 3.62 -3.33 0.00 -1.26 -2.42 105.19 105.98 1hxm n GLY 27 Ca -0.19 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.32 1hxm n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hxm s GLU 28 N -1.06 0.10 0.39 1.61 2.56 -1.26 -4.74 118.70 116.30 1hxm s GLU 28 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.97 54.90 1hxm s GLU 28 Cb 0.00 0.03 -0.03 0.00 2.00 0.00 0.00 34.13 36.14 1hxm s GLU 28 CO 0.00 -0.05 0.62 0.00 -0.56 0.00 0.00 175.26 175.27 1hxm s ALA 29 N -2.10 3.64 -0.42 6.30 0.00 -1.26 -4.95 121.76 122.97 1hxm s ALA 29 Ca 0.17 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.37 1hxm s ALA 29 Cb 0.06 -2.22 0.58 0.00 0.00 0.00 0.00 23.12 21.55 1hxm s ALA 29 CO -0.06 -0.16 1.47 1.51 0.00 0.00 0.00 175.76 178.52 1hxm n ILE 30 N -1.94 2.15 -0.10 0.00 3.06 -1.26 -3.87 119.36 117.39 1hxm n ILE 30 Ca -0.03 -1.10 -0.11 0.00 -2.50 0.00 0.00 62.75 59.02 1hxm n ILE 30 Cb 0.56 -0.39 -0.13 0.00 0.54 0.00 0.00 39.64 40.22 1hxm n ILE 30 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1hxm n GLY 31 N 0.23 -0.74 0.11 4.50 0.00 -1.26 -4.15 105.19 103.88 1hxm n GLY 31 Ca 0.25 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1hxm n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hxm n ASN 32 N -2.81 0.61 -4.43 1.61 5.03 -1.25 -4.79 115.26 109.23 1hxm n ASN 32 Ca -0.33 0.63 -0.23 0.00 0.87 0.00 0.00 54.58 55.53 1hxm n ASN 32 Cb 1.05 -0.77 -0.10 0.00 -1.02 0.00 0.00 39.78 38.94 1hxm n ASN 32 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1hxm s TYR 33 N -3.25 2.15 0.60 3.10 2.02 -1.26 -1.98 117.35 118.73 1hxm s TYR 33 Ca 0.05 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1hxm s TYR 33 Cb 0.10 -0.96 0.07 0.00 -0.40 0.00 0.00 41.96 40.76 1hxm s TYR 33 CO 0.41 0.60 0.83 0.71 -1.57 0.00 0.00 175.55 176.53 1hxm s TYR 34 N -2.47 2.33 -0.01 2.71 4.12 -0.43 -4.91 117.35 118.68 1hxm s TYR 34 Ca 0.27 -0.18 0.02 0.00 0.02 0.00 0.00 57.07 57.20 1hxm s TYR 34 Cb -0.05 -2.76 -0.00 0.00 -1.52 0.00 0.00 41.96 37.63 1hxm s TYR 34 CO 0.12 -1.13 -0.07 -1.50 0.02 0.00 0.00 175.55 172.99 1hxm s ILE 35 N -2.85 0.57 0.03 2.71 1.10 -1.26 -3.57 121.20 117.92 1hxm s ILE 35 Ca 0.60 -0.29 0.00 0.00 -0.51 0.00 0.00 60.65 60.46 1hxm s ILE 35 Cb -0.08 -0.49 -0.02 0.00 0.15 0.00 0.00 42.46 42.01 1hxm s ILE 35 CO 0.40 0.17 -0.04 0.20 -2.11 0.00 0.00 174.94 173.57 1hxm s ASN 36 N -0.02 0.36 -0.08 4.50 -0.87 0.19 -0.31 114.94 118.71 1hxm s ASN 36 Ca 0.01 -0.59 0.02 0.00 -1.57 0.00 0.00 52.86 50.73 1hxm s ASN 36 Cb -0.04 0.11 0.01 0.00 -0.02 0.00 0.00 41.25 41.31 1hxm s ASN 36 CO -0.00 -0.34 -0.14 0.26 -2.57 0.00 0.00 177.10 174.30 1hxm s TRP 37 N -1.88 1.70 0.23 2.20 0.52 0.67 -0.83 118.94 121.55 1hxm s TRP 37 Ca -0.11 -0.67 0.06 0.00 0.02 0.00 0.00 56.10 55.40 1hxm s TRP 37 Cb -0.07 -1.22 -0.05 0.00 -1.15 0.00 0.00 33.47 30.98 1hxm s TRP 37 CO -0.02 -0.33 -0.08 0.71 0.02 0.00 0.00 176.95 177.24 1hxm s TYR 38 N 0.68 1.74 0.07 -1.98 2.02 0.09 -0.00 117.35 119.97 1hxm s TYR 38 Ca -0.14 -0.69 -0.10 0.00 -0.37 0.00 0.00 57.07 55.76 1hxm s TYR 38 Cb -0.16 -0.93 0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1hxm s TYR 38 CO 0.04 0.24 0.22 -0.98 -1.57 0.00 0.00 175.55 173.50 1hxm s ARG 39 N -3.72 0.81 -0.19 -0.62 1.70 -0.64 0.32 118.95 116.60 1hxm s ARG 39 Ca 0.26 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.76 1hxm s ARG 39 Cb 0.02 0.34 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1hxm s ARG 39 CO 0.09 -0.25 -0.08 0.15 -1.08 0.00 0.00 175.30 174.12 1hxm s LYS 40 N -3.23 1.76 0.35 3.89 1.02 0.84 -0.88 119.74 123.49 1hxm s LYS 40 Ca -0.00 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.33 1hxm s LYS 40 Cb 0.02 -2.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.97 1hxm s LYS 40 CO -0.08 -0.45 -0.05 0.95 -0.92 0.00 0.00 175.35 174.81 1hxm s THR 41 N 1.48 1.96 0.31 2.17 -4.23 -0.84 -0.42 115.64 116.08 1hxm s THR 41 Ca -0.01 -2.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.09 1hxm s THR 41 Cb -0.16 -2.72 -0.11 0.00 1.34 0.00 0.00 72.50 70.85 1hxm s THR 41 CO -0.08 -0.15 1.50 0.00 -0.54 0.00 0.00 174.62 175.35 1hxm s GLN 42 N -3.69 4.17 0.00 3.99 -2.07 -1.26 -3.25 119.66 117.56 1hxm s GLN 42 Ca 0.33 2.48 0.00 0.00 -1.82 0.00 0.00 55.36 56.35 1hxm s GLN 42 Cb 0.05 -3.03 0.00 0.00 -1.09 0.00 0.00 33.01 28.95 1hxm s GLN 42 CO 0.16 -0.51 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 1hxm n GLY 43 N 1.48 2.09 3.64 2.60 0.00 -1.26 -4.92 105.19 108.82 1hxm n GLY 43 Ca 0.05 -0.40 -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 -2.95 6.67 -0.10 1.61 0.01 -1.20 -5.05 114.94 113.92 1hxm s ASN 44 Ca 0.00 0.82 -0.03 0.00 -0.71 0.00 0.00 52.86 52.94 1hxm s ASN 44 Cb 0.00 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 1hxm s ASN 44 CO 0.00 -0.40 0.01 -0.89 -1.51 0.00 0.00 177.10 174.31 1hxm s THR 45 N 2.53 4.39 -0.72 1.60 2.01 -1.26 -1.98 115.64 122.21 1hxm s THR 45 Ca 0.29 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1hxm s THR 45 Cb -0.15 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1hxm s THR 45 CO 0.08 0.59 0.63 0.80 -0.69 0.00 0.00 174.62 176.03 1hxm n MET 46 N 2.27 -1.64 -4.00 4.92 0.00 -1.07 -4.96 117.12 112.63 1hxm n MET 46 Ca -0.19 1.02 -0.31 0.00 -0.00 0.00 0.00 57.70 58.23 1hxm n MET 46 Cb 0.54 -2.68 -0.06 0.00 0.00 0.00 0.00 33.22 31.02 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 -2.65 4.86 -0.02 1.12 -4.23 -0.06 -4.88 115.64 109.78 1hxm s THR 47 Ca 0.09 -0.60 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 1hxm s THR 47 Cb -0.01 -3.34 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 1hxm s THR 47 CO 0.87 0.15 0.97 0.12 -0.54 0.00 0.00 174.62 176.19 1hxm s PHE 48 N -1.42 3.63 -0.08 3.99 5.36 -1.26 -1.62 117.98 126.57 1hxm s PHE 48 Ca 0.31 1.66 -0.08 0.00 -0.96 0.00 0.00 56.93 57.86 1hxm s PHE 48 Cb -0.12 -3.12 -0.04 0.00 -0.34 0.00 0.00 43.02 39.39 1hxm s PHE 48 CO 0.24 -0.04 -0.17 -0.89 -1.46 0.00 0.00 175.22 172.89 1hxm n ILE 49 N 4.01 1.07 -3.80 3.12 5.41 1.00 -4.19 119.36 125.97 1hxm n ILE 49 Ca 0.06 0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.74 1hxm n ILE 49 Cb 0.51 -1.83 -0.11 0.00 -0.71 0.00 0.00 39.64 37.50 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 -2.35 -0.18 0.06 1.39 5.04 -0.98 -2.07 117.35 118.26 1hxm s TYR 50 Ca -0.16 0.41 0.05 0.00 -2.44 0.00 0.00 57.07 54.92 1hxm s TYR 50 Cb 0.04 0.06 -0.03 0.00 0.35 0.00 0.00 41.96 42.39 1hxm s TYR 50 CO 0.22 -0.22 -0.14 0.50 -1.34 0.00 0.00 175.55 174.58 1hxm s ARG 51 N -0.50 0.82 -0.25 4.97 3.52 -0.38 -0.24 118.95 126.89 1hxm s ARG 51 Ca -0.06 -0.87 -0.09 0.00 -0.13 0.00 0.00 55.73 54.59 1hxm s ARG 51 Cb -0.04 -0.82 -0.06 0.00 -1.56 0.00 0.00 34.95 32.48 1hxm s ARG 51 CO 0.01 0.19 0.70 -1.91 -0.81 0.00 0.00 175.30 173.48 1hxm n GLU 52 N 1.51 0.00 -1.78 5.12 4.07 0.58 -2.84 120.64 127.30 1hxm n GLU 52 Ca -0.20 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.88 1hxm n GLU 52 Cb 0.54 -0.40 -0.01 0.00 -0.06 0.00 0.00 31.44 31.51 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 2.23 -1.20 -1.85 5.31 4.76 -1.26 -4.65 118.16 121.49 1hxm n LYS 53 Ca 0.17 1.27 -0.08 0.00 -2.87 0.00 0.00 58.31 56.80 1hxm n LYS 53 Cb 0.01 -2.06 -0.02 0.00 -1.84 0.00 0.00 35.03 31.11 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 0.44 -2.53 -4.53 4.39 8.00 -1.26 -4.95 116.55 116.11 1hxm n ASP 54 Ca -0.11 0.25 -0.39 0.00 0.71 0.00 0.00 54.79 55.25 1hxm n ASP 54 Cb 0.17 -2.36 -0.11 0.00 -0.02 0.00 0.00 41.12 38.80 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 -2.05 5.07 0.15 0.53 1.01 -1.13 -5.02 121.20 119.76 1hxm s ILE 55 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.65 1hxm s ILE 55 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1hxm s ILE 55 CO 0.00 0.15 -0.20 -0.31 0.00 0.00 0.00 174.94 174.58 1hxm s TYR 56 N 1.71 1.88 0.57 3.97 2.02 -1.26 -1.25 117.35 124.98 1hxm s TYR 56 Ca 0.06 -0.44 -0.07 0.00 -0.37 0.00 0.00 57.07 56.26 1hxm s TYR 56 Cb -0.17 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.42 1hxm s TYR 56 CO 0.09 0.31 0.89 0.20 -1.57 0.00 0.00 175.55 175.48 1hxm s GLY 57 N -2.44 1.58 -0.27 0.71 0.00 -0.88 -4.93 107.32 101.10 1hxm s GLY 57 Ca 0.14 -0.55 -0.37 0.00 0.00 0.00 0.00 44.72 43.94 1hxm s GLY 57 CO 0.06 -0.30 1.93 -1.05 0.00 0.00 0.00 173.10 173.75 1hxm n PRO 58 N -2.53 1.32 -0.83 2.90 -0.02 -1.26 -1.28 135.00 133.29 1hxm n PRO 58 Ca 0.04 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1hxm n PRO 58 Cb 0.56 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 5.09 0.54 0.00 -1.23 0.00 -1.26 -4.93 105.19 103.40 1hxm n GLY 59 Ca 0.31 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.83 0.00 0.01 1.61 3.01 -0.41 -4.54 117.46 114.32 1hxm n PHE 60 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1hxm n PHE 60 Cb 0.00 -0.13 0.13 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.50 -0.02 -1.08 1.63 -1.80 0.50 116.57 116.30 1hxm h LYS 61 Ca 0.00 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1hxm h LYS 61 Cb 0.40 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1hxm h LYS 61 CO 0.00 0.81 0.00 -0.44 -3.45 0.00 0.00 179.45 176.38 1hxm h ASP 62 N 0.41 0.03 0.41 4.20 3.32 -1.95 -3.35 116.42 119.49 1hxm h ASP 62 Ca 0.04 -0.24 -0.31 0.00 0.02 0.00 0.00 57.03 56.54 1hxm h ASP 62 Cb 0.87 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1hxm h ASP 62 CO 0.07 0.27 -1.77 -3.20 -1.72 0.00 0.00 179.24 172.88 1hxm n ASN 63 N -4.95 1.14 -4.81 6.45 2.85 -1.23 -4.97 115.26 109.74 1hxm n ASN 63 Ca -0.07 0.37 -0.22 0.00 -0.11 0.00 0.00 54.58 54.55 1hxm n ASN 63 Cb 0.14 -0.23 -0.05 0.00 1.24 0.00 0.00 39.78 40.89 1hxm n ASN 63 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1hxm s PHE 64 N -2.59 2.91 -0.26 1.20 0.08 0.16 -1.53 117.98 117.96 1hxm s PHE 64 Ca -0.08 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 1hxm s PHE 64 Cb 0.08 -1.61 0.14 0.00 -0.57 0.00 0.00 43.02 41.06 1hxm s PHE 64 CO 0.81 0.34 0.40 -1.14 -0.10 0.00 0.00 175.22 175.53 1hxm s GLN 65 N -3.90 0.37 0.46 0.44 0.74 -0.67 -4.54 119.66 112.57 1hxm s GLN 65 Ca 0.37 0.48 -0.06 0.00 0.05 0.00 0.00 55.36 56.21 1hxm s GLN 65 Cb -0.06 -0.38 -0.04 0.00 1.10 0.00 0.00 33.01 33.63 1hxm s GLN 65 CO 0.25 -0.72 0.77 0.20 -0.55 0.00 0.00 175.29 175.24 1hxm s GLY 66 N 2.56 1.55 -0.09 2.59 0.00 -1.26 -1.35 107.32 111.33 1hxm s GLY 66 Ca 0.13 -0.48 -0.32 0.00 0.00 0.00 0.00 44.72 44.04 1hxm s GLY 66 CO -0.19 -0.32 1.16 -0.35 0.00 0.00 0.00 173.10 173.39 1hxm s ASP 67 N -3.98 -0.16 0.11 1.64 -1.08 -0.54 -4.93 116.67 107.74 1hxm s ASP 67 Ca 0.47 -0.07 0.05 0.00 -0.52 0.00 0.00 52.55 52.49 1hxm s ASP 67 Cb -0.10 0.22 -0.04 0.00 -1.46 0.00 0.00 42.92 41.54 1hxm s ASP 67 CO 0.43 -0.37 -0.12 0.27 0.52 0.00 0.00 175.17 175.90 1hxm s ILE 68 N -2.61 1.16 -0.35 4.11 -4.36 -1.26 -0.96 121.20 116.93 1hxm s ILE 68 Ca 0.10 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1hxm s ILE 68 Cb 0.00 -1.45 0.14 0.00 1.25 0.00 0.00 42.46 42.40 1hxm s ILE 68 CO -0.05 -0.47 0.22 -0.62 0.24 0.00 0.00 174.94 174.26 1hxm s ASP 69 N -2.44 2.84 0.09 4.36 -1.08 -0.96 -4.95 116.67 114.54 1hxm s ASP 69 Ca 0.07 -2.11 0.14 0.00 -0.52 0.00 0.00 52.55 50.13 1hxm s ASP 69 Cb -0.04 -0.32 0.62 0.00 -1.46 0.00 0.00 42.92 41.72 1hxm s ASP 69 CO 0.02 -0.31 1.44 0.00 0.52 0.00 0.00 175.17 176.84 1hxm n ILE 70 N 4.10 1.19 0.17 4.11 3.06 -1.26 -1.01 119.36 129.71 1hxm n ILE 70 Ca 0.11 0.36 0.10 0.00 -2.50 0.00 0.00 62.75 60.82 1hxm n ILE 70 Cb 0.38 -1.23 0.61 0.00 0.54 0.00 0.00 39.64 39.94 1hxm n ILE 70 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hxm h ALA 71 N 2.28 2.05 0.00 1.51 0.00 -1.95 -2.55 119.26 120.59 1hxm h ALA 71 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hxm h ALA 71 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hxm h ALA 71 CO 0.00 -0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.80 1hxm n LYS 72 N -4.50 1.41 -3.63 0.00 4.76 -0.18 -5.03 118.16 110.99 1hxm n LYS 72 Ca 0.00 -1.04 -0.30 0.00 -2.87 0.00 0.00 58.31 54.11 1hxm n LYS 72 Cb 0.18 -0.93 0.05 0.00 -1.84 0.00 0.00 35.03 32.49 1hxm n LYS 72 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1hxm n ASN 73 N -0.28 -5.52 -4.09 4.39 2.85 -0.31 -4.87 115.26 107.43 1hxm n ASN 73 Ca 0.00 -0.98 -0.10 0.00 -0.11 0.00 0.00 54.58 53.39 1hxm n ASN 73 Cb 0.20 -3.58 -0.09 0.00 1.24 0.00 0.00 39.78 37.55 1hxm n ASN 73 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1hxm s LEU 74 N -6.32 1.35 -0.08 1.20 0.20 -1.07 -2.52 118.68 111.44 1hxm s LEU 74 Ca 0.47 -1.12 0.04 0.00 0.69 0.00 0.00 54.13 54.21 1hxm s LEU 74 Cb -0.16 0.66 -0.00 0.00 -0.43 0.00 0.00 46.19 46.27 1hxm s LEU 74 CO 0.85 -0.82 -0.21 0.00 -0.29 0.00 0.00 176.35 175.88 1hxm s ALA 75 N -4.04 1.90 0.09 5.97 0.00 0.88 -2.26 121.76 124.30 1hxm s ALA 75 Ca 0.24 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.44 1hxm s ALA 75 Cb 0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1hxm s ALA 75 CO 0.03 0.28 -0.21 0.14 0.00 0.00 0.00 175.76 176.01 1hxm s VAL 76 N 0.26 1.68 -0.09 0.00 -7.23 -0.14 -0.90 120.40 113.97 1hxm s VAL 76 Ca -0.13 -1.45 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1hxm s VAL 76 Cb -0.16 -1.51 0.04 0.00 0.56 0.00 0.00 36.38 35.31 1hxm s VAL 76 CO 0.06 -0.00 0.06 -0.22 -0.31 0.00 0.00 175.10 174.69 1hxm s LEU 77 N -1.72 0.31 -0.20 1.32 2.96 0.19 -1.46 118.68 120.08 1hxm s LEU 77 Ca 0.06 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1hxm s LEU 77 Cb -0.10 -0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.31 1hxm s LEU 77 CO 0.04 -0.28 0.16 -0.54 -1.32 0.00 0.00 176.35 174.41 1hxm s LYS 78 N 2.12 4.18 -0.28 1.98 1.02 -0.45 0.35 119.74 128.66 1hxm s LYS 78 Ca 0.04 -0.17 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 1hxm s LYS 78 Cb -0.14 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1hxm s LYS 78 CO -0.05 0.25 0.22 0.42 -0.92 0.00 0.00 175.35 175.26 1hxm s ILE 79 N 0.50 5.29 -0.11 2.17 1.01 0.35 -1.67 121.20 128.74 1hxm s ILE 79 Ca 0.09 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.78 1hxm s ILE 79 Cb -0.12 -3.56 -0.13 0.00 0.01 0.00 0.00 42.46 38.66 1hxm s ILE 79 CO -0.00 0.22 0.42 -0.07 0.00 0.00 0.00 174.94 175.51 1hxm h LEU 80 N 8.41 -0.02 -6.86 2.97 3.38 -1.52 0.13 115.31 121.80 1hxm h LEU 80 Ca -0.34 -0.48 -0.61 0.00 0.09 0.00 0.00 57.88 56.54 1hxm h LEU 80 Cb 1.18 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.53 1hxm h LEU 80 CO 0.57 0.71 -0.70 0.00 0.09 0.00 0.00 178.44 179.11 1hxm s ALA 81 N -2.50 3.04 0.61 1.53 0.00 -1.26 -2.74 121.76 120.44 1hxm s ALA 81 Ca -0.10 -3.39 -0.18 0.00 0.00 0.00 0.00 51.96 48.30 1hxm s ALA 81 Cb -0.01 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 21.06 1hxm s ALA 81 CO 0.35 -2.06 0.71 -2.30 0.00 0.00 0.00 175.76 172.46 1hxm n PRO 82 N 2.28 0.62 -3.58 0.00 -0.02 -1.26 -4.63 135.00 128.41 1hxm n PRO 82 Ca 0.23 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 1hxm n PRO 82 Cb 0.39 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.18 -1.28 -0.01 2.55 3.41 -1.26 -2.07 113.62 114.78 1hxm n SER 83 Ca 0.12 -2.57 -0.10 0.00 -0.26 0.00 0.00 58.87 56.07 1hxm n SER 83 Cb 0.48 2.33 -0.04 0.00 -0.26 0.00 0.00 64.21 66.72 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 -0.03 0.00 4.33 3.07 -1.95 -1.80 114.58 118.20 1hxm h GLU 84 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1hxm h GLU 84 Cb 1.02 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1hxm h GLU 84 CO 0.32 -0.02 0.20 0.00 -1.40 0.00 0.00 179.01 178.11 1hxm h ARG 85 N -0.03 0.00 -0.02 2.33 3.08 -2.00 -1.45 114.38 116.30 1hxm h ARG 85 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1hxm h ARG 85 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1hxm h ARG 85 CO -0.15 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.50 1hxm n ASP 86 N -2.24 1.72 -4.71 7.04 8.00 -0.68 -4.89 116.55 120.80 1hxm n ASP 86 Ca -0.01 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.49 1hxm n ASP 86 Cb 0.23 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.00 4.53 0.00 -1.24 2.12 -0.55 -4.89 118.70 116.67 1hxm s GLU 87 Ca 0.37 1.43 0.00 0.00 0.36 0.00 0.00 54.97 57.12 1hxm s GLU 87 Cb 0.21 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1hxm s GLU 87 CO 0.33 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1hxm n GLY 88 N 2.95 -0.50 3.81 -1.50 0.00 -0.84 -4.28 105.19 104.84 1hxm n GLY 88 Ca 0.07 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 5.86 -0.09 1.61 0.01 0.44 -0.19 113.70 117.33 1hxm s SER 89 Ca 0.00 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.51 1hxm s SER 89 Cb 0.00 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.50 1hxm s SER 89 CO 0.00 0.28 -0.22 -0.31 0.41 0.00 0.00 173.24 173.41 1hxm s TYR 90 N -1.20 2.34 -0.02 2.43 2.02 -0.14 -0.11 117.35 122.66 1hxm s TYR 90 Ca 0.23 -0.94 0.07 0.00 -0.37 0.00 0.00 57.07 56.05 1hxm s TYR 90 Cb -0.12 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 1hxm s TYR 90 CO 0.14 -0.39 -0.22 0.71 -1.57 0.00 0.00 175.55 174.22 1hxm s TYR 91 N 0.40 2.45 -0.14 2.71 2.02 0.15 -1.88 117.35 123.06 1hxm s TYR 91 Ca -0.18 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.15 1hxm s TYR 91 Cb -0.18 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1hxm s TYR 91 CO 0.08 0.05 -0.04 0.00 -1.57 0.00 0.00 175.55 174.07 1hxm s ALA 93 N 0.07 0.45 0.04 0.00 0.00 -0.01 -1.57 121.76 120.74 1hxm s ALA 93 Ca -0.00 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1hxm s ALA 93 Cb -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1hxm s ALA 93 CO 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 175.76 175.67 1hxm s ASP 95 N -1.21 1.71 0.67 0.00 -4.77 -1.23 -0.14 116.67 111.70 1hxm s ASP 95 Ca -0.01 -0.61 -0.17 0.00 -3.30 0.00 0.00 52.55 48.45 1hxm s ASP 95 Cb -0.08 -0.05 -0.02 0.00 -1.09 0.00 0.00 42.92 41.68 1hxm s ASP 95 CO 0.01 -0.07 0.95 0.41 0.70 0.00 0.00 175.17 177.17 1hxm n THR 96 N 1.29 3.26 0.00 2.11 -1.04 -1.26 -1.32 114.28 117.33 1hxm n THR 96 Ca -0.21 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1hxm n THR 96 Cb 0.54 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1hxm n THR 96 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1hxm n LEU 97 N -1.23 1.67 -2.74 -4.42 7.94 -0.84 -4.72 117.00 112.67 1hxm n LEU 97 Ca 0.13 0.18 -0.09 0.00 -1.11 0.00 0.00 56.01 55.13 1hxm n LEU 97 Cb 0.49 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.52 1hxm n LEU 97 CO 0.49 0.00 0.30 0.61 -1.11 0.00 0.00 177.39 177.68 1hxm n GLY 98 N 1.36 0.51 3.68 -3.96 0.00 -1.26 -5.06 105.19 100.46 1hxm n GLY 98 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1hxm n GLY 98 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hxm n MET 99 N 0.63 2.83 0.33 1.61 1.56 -1.26 -4.83 117.12 117.99 1hxm n MET 99 Ca 0.07 1.03 0.19 0.00 -0.27 0.00 0.00 57.70 58.72 1hxm n MET 99 Cb 0.68 -2.95 1.02 0.00 2.15 0.00 0.00 33.22 34.13 1hxm n MET 99 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1hxm h GLY 100 N 9.38 0.00 -0.90 -5.12 0.00 -2.03 -3.43 103.07 100.97 1hxm h GLY 100 Ca -0.48 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.41 1hxm h GLY 100 CO 0.95 0.00 0.40 -0.32 0.00 0.00 0.00 176.54 177.56 1hxm s GLY 101 N -3.97 1.80 -1.05 4.60 0.00 -1.26 -4.95 107.32 102.48 1hxm s GLY 101 Ca -0.04 -1.31 -0.23 0.00 0.00 0.00 0.00 44.72 43.14 1hxm s GLY 101 CO 0.36 -0.53 1.66 -1.83 0.00 0.00 0.00 173.10 172.76 1hxm s GLU 102 N -5.86 3.30 0.26 2.90 1.03 -1.26 -4.96 118.70 114.11 1hxm s GLU 102 Ca 0.75 -1.06 0.08 0.00 0.03 0.00 0.00 54.97 54.77 1hxm s GLU 102 Cb -0.03 -5.30 -0.04 0.00 -0.80 0.00 0.00 34.13 27.95 1hxm s GLU 102 CO 0.53 -2.67 0.08 1.52 -1.33 0.00 0.00 175.26 173.39 1hxm s TYR 103 N 6.67 2.88 -0.11 4.83 -0.00 -1.26 -5.13 117.35 125.23 1hxm s TYR 103 Ca 0.55 -0.17 -0.09 0.00 -0.00 0.00 0.00 57.07 57.37 1hxm s TYR 103 Cb -0.01 -1.29 -0.04 0.00 -0.00 0.00 0.00 41.96 40.62 1hxm s TYR 103 CO -0.03 0.58 0.19 -0.08 -0.00 0.00 0.00 175.55 176.21 1hxm s THR 104 N -2.24 5.42 -0.11 -3.49 -1.32 -1.26 -4.99 115.64 107.66 1hxm s THR 104 Ca 0.32 0.32 -0.03 0.00 -1.21 0.00 0.00 61.69 61.09 1hxm s THR 104 Cb -0.07 -3.46 -0.05 0.00 -1.51 0.00 0.00 72.50 67.42 1hxm s THR 104 CO 0.22 0.60 2.65 -0.67 -2.21 0.00 0.00 174.62 175.21 1hxm n ASP 105 N 2.06 5.65 -4.88 8.08 4.64 -1.26 -4.83 116.55 126.01 1hxm n ASP 105 Ca -0.19 -2.65 -0.30 0.00 -1.38 0.00 0.00 54.79 50.28 1hxm n ASP 105 Cb 0.54 -1.23 -0.00 0.00 -1.04 0.00 0.00 41.12 39.39 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 -0.20 3.64 -0.00 -0.67 -2.85 -1.26 -5.02 119.74 113.38 1hxm s LYS 106 Ca 0.35 0.54 -0.00 0.00 -1.00 0.00 0.00 55.97 55.86 1hxm s LYS 106 Cb 0.20 -2.23 -0.04 0.00 -2.06 0.00 0.00 37.83 33.70 1hxm s LYS 106 CO -0.03 -0.34 0.08 -0.51 0.10 0.00 0.00 175.35 174.65 1hxm s LEU 107 N -4.73 3.90 -0.21 2.77 1.43 -1.26 -4.38 118.68 116.19 1hxm s LEU 107 Ca 0.52 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1hxm s LEU 107 Cb -0.11 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1hxm s LEU 107 CO 0.45 0.27 -0.06 -0.63 0.23 0.00 0.00 176.35 176.61 1hxm s ILE 108 N -1.20 3.22 0.30 -0.59 1.01 0.79 -4.93 121.20 119.82 1hxm s ILE 108 Ca 0.23 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1hxm s ILE 108 Cb -0.12 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1hxm s ILE 108 CO 0.14 0.44 0.49 -0.36 0.00 0.00 0.00 174.94 175.64 1hxm s PHE 109 N 1.45 3.49 0.33 3.97 0.08 -1.26 -0.96 117.98 125.06 1hxm s PHE 109 Ca 0.06 0.27 0.09 0.00 0.12 0.00 0.00 56.93 57.47 1hxm s PHE 109 Cb -0.14 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1hxm s PHE 109 CO -0.04 0.23 0.07 0.20 -0.10 0.00 0.00 175.22 175.57 1hxm s GLY 110 N -3.89 1.94 0.59 4.36 0.00 -0.61 -4.46 107.32 105.26 1hxm s GLY 110 Ca 0.39 -1.85 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 1hxm s GLY 110 CO 0.33 -1.81 1.19 0.54 0.00 0.00 0.00 173.10 173.36 1hxm s LYS 111 N -3.77 3.03 0.69 2.90 1.02 -1.26 -4.60 119.74 117.76 1hxm s LYS 111 Ca 0.36 1.78 -0.11 0.00 0.02 0.00 0.00 55.97 58.01 1hxm s LYS 111 Cb -0.02 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1hxm s LYS 111 CO 0.21 -1.15 1.06 0.20 -0.92 0.00 0.00 175.35 174.75 1hxm s GLY 112 N -1.65 1.66 -0.16 -3.33 0.00 -1.26 -4.45 107.32 98.13 1hxm s GLY 112 Ca 0.76 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 45.46 1hxm s GLY 112 CO 0.32 0.28 -0.19 -1.08 0.00 0.00 0.00 173.10 172.44 1hxm s THR 113 N -3.12 1.91 -0.13 0.90 -1.32 -0.79 -4.82 115.64 108.27 1hxm s THR 113 Ca 0.58 -0.86 -0.23 0.00 -1.21 0.00 0.00 61.69 59.96 1hxm s THR 113 Cb -0.13 -1.73 -0.03 0.00 -1.51 0.00 0.00 72.50 69.11 1hxm s THR 113 CO 0.54 0.52 0.73 -0.60 -2.21 0.00 0.00 174.62 173.60 1hxm s ARG 114 N 1.16 4.35 -0.11 7.08 3.52 0.23 -0.96 118.95 134.22 1hxm s ARG 114 Ca 0.00 0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 56.46 1hxm s ARG 114 Cb -0.14 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1hxm s ARG 114 CO -0.08 -0.12 -0.06 0.14 -0.81 0.00 0.00 175.30 174.37 1hxm s VAL 115 N 1.46 3.76 -0.14 7.11 -7.23 0.73 -0.73 120.40 125.36 1hxm s VAL 115 Ca 0.36 -0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.10 1hxm s VAL 115 Cb -0.17 -2.59 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 1hxm s VAL 115 CO 0.15 0.55 -0.16 0.42 -0.31 0.00 0.00 175.10 175.75 1hxm s THR 116 N -0.25 2.65 -0.22 5.32 -4.23 -1.19 -1.98 115.64 115.74 1hxm s THR 116 Ca 0.04 -0.79 -0.12 0.00 -1.18 0.00 0.00 61.69 59.64 1hxm s THR 116 Cb -0.13 -2.10 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 1hxm s THR 116 CO 0.02 0.52 0.22 -0.69 -0.54 0.00 0.00 174.62 174.16 1hxm s VAL 117 N 0.64 5.33 0.02 2.29 1.01 -1.26 -1.07 120.40 127.36 1hxm s VAL 117 Ca -0.09 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1hxm s VAL 117 Cb -0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1hxm s VAL 117 CO 0.02 0.34 -0.13 -1.61 0.00 0.00 0.00 175.10 173.72 1hxm s GLU 118 N 0.98 0.96 1.30 2.72 0.41 -0.70 -4.98 118.70 119.38 1hxm s GLU 118 Ca 0.11 -0.63 -0.19 0.00 -0.41 0.00 0.00 54.97 53.85 1hxm s GLU 118 Cb -0.13 -0.95 0.30 0.00 -1.78 0.00 0.00 34.13 31.57 1hxm s GLU 118 CO 0.04 0.25 0.75 -2.30 -0.49 0.00 0.00 175.26 173.51 1hxm n PRO 119 N 2.25 -3.51 -3.74 0.39 -0.02 -1.26 -2.16 135.00 126.95 1hxm n PRO 119 Ca -0.16 -1.03 -0.20 0.00 -2.02 0.00 0.00 63.50 60.09 1hxm n PRO 119 Cb 0.55 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.10 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 -4.47 3.25 0.29 -0.52 1.70 -1.26 -4.57 118.95 113.37 1hxm s ARG 120 Ca 0.63 -0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 54.69 1hxm s ARG 120 Cb -0.16 -2.83 -0.13 0.00 -0.57 0.00 0.00 34.95 31.26 1hxm s ARG 120 CO 0.58 0.25 1.18 0.43 -1.08 0.00 0.00 175.30 176.66 1hxm n SER 121 N -1.50 2.03 -3.53 -2.89 7.64 -1.26 -4.95 113.62 109.15 1hxm n SER 121 Ca -0.05 1.18 -0.04 0.00 1.01 0.00 0.00 58.87 60.97 1hxm n SER 121 Cb 0.58 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1hxm n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hxm s GLN 122 N -1.38 1.44 0.31 1.43 -2.07 -1.26 -5.14 119.66 112.99 1hxm s GLN 122 Ca 0.60 -0.86 -0.29 0.00 -1.82 0.00 0.00 55.36 52.99 1hxm s GLN 122 Cb -0.66 0.45 -0.10 0.00 -1.09 0.00 0.00 33.01 31.61 1hxm s GLN 122 CO 0.58 -0.67 1.33 -1.25 -1.32 0.00 0.00 175.29 173.96 1hxm s PRO 123 N -2.88 4.34 0.94 9.60 0.04 -1.26 -4.96 135.00 140.82 1hxm s PRO 123 Ca 0.15 2.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 1hxm s PRO 123 Cb -0.03 -3.08 0.12 0.00 0.04 0.00 0.00 34.50 31.55 1hxm s PRO 123 CO 0.05 -0.23 0.91 0.72 0.04 0.00 0.00 177.00 178.49 1hxm n HIS 124 N 1.13 0.08 -3.68 0.56 8.25 -1.26 -4.88 115.22 115.42 1hxm n HIS 124 Ca 0.01 0.33 -0.16 0.00 -0.26 0.00 0.00 57.72 57.64 1hxm n HIS 124 Cb 0.42 -1.92 -0.15 0.00 1.12 0.00 0.00 29.99 29.45 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 -2.56 -0.22 0.13 1.59 2.01 -0.51 -4.89 115.64 111.19 1hxm s THR 125 Ca 0.64 0.32 -0.31 0.00 0.31 0.00 0.00 61.69 62.65 1hxm s THR 125 Cb -0.22 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1hxm s THR 125 CO 0.61 0.13 1.34 -0.75 -0.69 0.00 0.00 174.62 175.27 1hxm s LYS 126 N 2.06 4.35 0.67 4.92 2.20 -1.26 -2.94 119.74 129.74 1hxm s LYS 126 Ca 0.00 2.03 -0.08 0.00 -0.36 0.00 0.00 55.97 57.57 1hxm s LYS 126 Cb -0.12 -3.24 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1hxm s LYS 126 CO -0.06 -0.36 1.00 -1.25 -0.36 0.00 0.00 175.35 174.33 1hxm s PRO 127 N 0.72 2.62 0.12 4.03 0.04 -1.25 -4.78 135.00 136.51 1hxm s PRO 127 Ca 0.61 0.05 0.03 0.00 0.04 0.00 0.00 61.00 61.73 1hxm s PRO 127 Cb -0.36 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1hxm s PRO 127 CO 0.33 -1.01 0.16 -1.12 0.04 0.00 0.00 177.00 175.40 1hxm s SER 128 N -4.40 5.77 -0.05 6.66 0.01 -0.66 -4.93 113.70 116.10 1hxm s SER 128 Ca 0.57 0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 1hxm s SER 128 Cb -0.11 -1.60 0.03 0.00 0.21 0.00 0.00 66.02 64.55 1hxm s SER 128 CO 0.47 0.11 0.02 -0.69 0.41 0.00 0.00 173.24 173.56 1hxm s VAL 129 N -1.61 0.19 0.27 3.43 1.01 -1.26 -1.05 120.40 121.38 1hxm s VAL 129 Ca 0.32 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.58 1hxm s VAL 129 Cb -0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1hxm s VAL 129 CO 0.24 0.21 -0.09 -0.36 0.00 0.00 0.00 175.10 175.10 1hxm s PHE 130 N 1.81 2.00 -0.07 5.22 0.40 -0.73 -4.24 117.98 122.37 1hxm s PHE 130 Ca 0.02 -0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 55.70 1hxm s PHE 130 Cb -0.12 -1.08 0.04 0.00 0.51 0.00 0.00 43.02 42.36 1hxm s PHE 130 CO -0.04 0.37 0.13 0.54 0.70 0.00 0.00 175.22 176.92 1hxm s VAL 131 N -2.91 -0.17 0.05 -0.44 0.11 -1.26 0.68 120.40 116.46 1hxm s VAL 131 Ca 0.29 0.32 0.05 0.00 -2.93 0.00 0.00 61.98 59.70 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 0.12 0.13 -0.05 0.00 -3.33 0.00 0.00 175.10 171.97 1hxm s MET 132 N 1.91 2.46 0.34 1.54 0.23 -0.75 -4.95 119.30 120.08 1hxm s MET 132 Ca -0.00 -0.83 0.03 0.00 -1.03 0.00 0.00 55.69 53.86 1hxm s MET 132 Cb -0.12 -2.47 -0.04 0.00 -1.53 0.00 0.00 34.83 30.67 1hxm s MET 132 CO -0.05 0.56 0.12 0.15 -2.03 0.00 0.00 175.02 173.77 1hxm s LYS 133 N -1.88 1.72 -0.36 3.16 1.02 -1.26 -1.09 119.74 121.06 1hxm s LYS 133 Ca 0.21 -2.00 -0.05 0.00 0.02 0.00 0.00 55.97 54.15 1hxm s LYS 133 Cb -0.11 -0.47 0.22 0.00 -0.52 0.00 0.00 37.83 36.95 1hxm s LYS 133 CO 0.12 -0.39 1.08 -1.71 -0.92 0.00 0.00 175.35 173.53 1hxm n ASN 134 N -0.99 -1.68 -2.87 2.83 2.85 0.33 -4.99 115.26 110.74 1hxm n ASN 134 Ca -0.02 -1.30 -0.02 0.00 -0.11 0.00 0.00 54.58 53.13 1hxm n ASN 134 Cb 0.65 0.86 -0.02 0.00 1.24 0.00 0.00 39.78 42.52 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 2.48 -2.63 4.75 8.20 0.00 -1.26 -2.87 105.19 113.86 1hxm n GLY 135 Ca 0.11 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 1.65 0.00 -3.07 2.61 -2.24 -1.26 -4.89 114.28 107.09 1hxm n THR 136 Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1hxm n THR 136 Cb 0.31 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.15 6.54 -0.03 3.42 -0.87 -1.14 0.83 114.94 122.54 1hxm s ASN 137 Ca 0.00 0.49 0.03 0.00 -1.57 0.00 0.00 52.86 51.81 1hxm s ASN 137 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 41.25 38.88 1hxm s ASN 137 CO 0.00 -0.51 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.21 1hxm s VAL 138 N 2.70 0.97 -0.06 1.60 1.01 -0.69 -0.51 120.40 125.42 1hxm s VAL 138 Ca 0.27 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1hxm s VAL 138 Cb -0.15 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.39 1hxm s VAL 138 CO 0.12 0.30 -0.10 0.00 0.00 0.00 0.00 175.10 175.41 1hxm s ALA 139 N 0.16 1.11 -0.05 5.51 0.00 -0.25 -1.61 121.76 126.64 1hxm s ALA 139 Ca -0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1hxm s ALA 139 Cb -0.10 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 1hxm s ALA 139 CO 0.01 0.09 0.44 0.00 0.00 0.00 0.00 175.76 176.30 1hxm s LEU 141 N -0.32 4.32 -0.33 0.00 2.96 0.21 -1.99 118.68 123.53 1hxm s LEU 141 Ca 0.24 -2.25 -0.22 0.00 -0.22 0.00 0.00 54.13 51.68 1hxm s LEU 141 Cb -0.16 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.01 1hxm s LEU 141 CO 0.12 -0.36 0.71 -0.69 -1.32 0.00 0.00 176.35 174.82 1hxm s VAL 142 N 0.77 4.83 -0.10 1.68 1.01 -0.10 -1.77 120.40 126.73 1hxm s VAL 142 Ca 0.12 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1hxm s VAL 142 Cb -0.20 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1hxm s VAL 142 CO -0.08 -0.29 -0.02 -0.54 0.00 0.00 0.00 175.10 174.16 1hxm s LYS 143 N 2.86 3.15 -0.27 2.72 1.02 -0.21 -0.75 119.74 128.26 1hxm s LYS 143 Ca 0.29 -0.47 -0.07 0.00 0.02 0.00 0.00 55.97 55.73 1hxm s LYS 143 Cb -0.14 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1hxm s LYS 143 CO 0.14 0.55 0.19 0.39 -0.92 0.00 0.00 175.35 175.70 1hxm n GLU 144 N 2.59 -2.36 -3.72 1.68 -0.58 -0.54 -1.65 120.64 116.06 1hxm n GLU 144 Ca -0.18 2.05 -0.11 0.00 -0.42 0.00 0.00 57.16 58.49 1hxm n GLU 144 Cb 0.53 -4.06 -0.07 0.00 -0.57 0.00 0.00 31.44 27.28 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 -1.66 -0.13 -0.21 -0.32 -0.12 -0.91 -3.93 117.98 110.71 1hxm s PHE 145 Ca 0.09 -0.06 -0.23 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 42.57 1hxm s PHE 145 CO 0.61 -0.56 0.63 -0.47 -0.05 0.00 0.00 175.22 175.38 1hxm s TYR 146 N -2.93 -0.68 0.00 3.49 5.04 -1.15 -2.19 117.35 118.93 1hxm s TYR 146 Ca -0.02 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 1hxm s TYR 146 Cb 0.00 0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.57 1hxm s TYR 146 CO -0.06 -0.37 0.00 -0.35 -1.34 0.00 0.00 175.55 173.44 1hxm n PRO 147 N 2.48 0.40 -0.02 4.97 -0.04 -1.26 -1.43 135.00 140.10 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 0.06 -6.14 0.54 3.64 -2.01 -3.45 116.57 109.21 1hxm h LYS 148 Ca 0.00 -0.03 -0.68 0.00 -1.27 0.00 0.00 60.65 58.67 1hxm h LYS 148 Cb 0.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1hxm h LYS 148 CO 0.00 0.56 1.12 -3.47 -2.27 0.00 0.00 179.45 175.39 1hxm n ASP 149 N -4.79 2.68 -3.61 4.20 2.03 -1.26 -4.94 116.55 110.86 1hxm n ASP 149 Ca -0.08 0.85 -0.14 0.00 0.52 0.00 0.00 54.79 55.94 1hxm n ASP 149 Cb 0.28 -1.25 -0.06 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 4.84 0.04 -0.10 5.18 2.07 -1.26 -4.56 121.20 127.40 1hxm s ILE 150 Ca 1.00 -0.30 0.03 0.00 -1.41 0.00 0.00 60.65 59.96 1hxm s ILE 150 Cb -0.88 -0.95 0.01 0.00 0.13 0.00 0.00 42.46 40.77 1hxm s ILE 150 CO 0.56 -0.17 -0.18 -0.13 -1.91 0.00 0.00 174.94 173.12 1hxm s ARG 151 N -2.30 2.41 -0.16 3.50 0.52 -0.86 -5.00 118.95 117.06 1hxm s ARG 151 Ca -0.06 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1hxm s ARG 151 Cb -0.01 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1hxm s ARG 151 CO -0.01 0.03 -0.16 0.42 0.02 0.00 0.00 175.30 175.60 1hxm s ILE 152 N 0.72 2.54 -0.11 1.52 1.01 -1.26 -1.04 121.20 124.58 1hxm s ILE 152 Ca -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1hxm s ILE 152 Cb -0.16 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1hxm s ILE 152 CO 0.02 0.52 -0.23 0.20 0.00 0.00 0.00 174.94 175.46 1hxm s ASN 153 N 0.92 3.00 -0.52 3.58 0.01 -0.01 -5.01 114.94 116.90 1hxm s ASN 153 Ca -0.04 -0.55 -0.16 0.00 -0.71 0.00 0.00 52.86 51.40 1hxm s ASN 153 Cb -0.15 -1.37 0.10 0.00 0.41 0.00 0.00 41.25 40.23 1hxm s ASN 153 CO -0.02 0.13 0.49 -0.76 -1.51 0.00 0.00 177.10 175.43 1hxm s LEU 154 N 0.49 5.76 0.08 0.60 1.02 -1.26 -0.40 118.68 124.97 1hxm s LEU 154 Ca -0.16 -1.48 -0.31 0.00 0.02 0.00 0.00 54.13 52.21 1hxm s LEU 154 Cb -0.17 -2.23 -0.10 0.00 0.02 0.00 0.00 46.19 43.71 1hxm s LEU 154 CO 0.06 -0.81 1.91 -0.69 0.02 0.00 0.00 176.35 176.84 1hxm s VAL 155 N 1.84 2.74 -0.28 -1.59 1.01 0.25 -4.89 120.40 119.49 1hxm s VAL 155 Ca 0.06 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 1hxm s VAL 155 Cb -0.26 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.20 1hxm s VAL 155 CO 0.06 -0.00 0.82 -0.55 0.00 0.00 0.00 175.10 175.42 1hxm s SER 156 N 3.60 -0.68 -0.08 3.32 0.15 -1.26 -3.12 113.70 115.63 1hxm s SER 156 Ca 0.85 1.26 -0.11 0.00 0.70 0.00 0.00 55.95 58.66 1hxm s SER 156 Cb -0.45 1.28 -0.08 0.00 -1.71 0.00 0.00 66.02 65.07 1hxm s SER 156 CO 0.39 -0.21 0.41 0.28 1.20 0.00 0.00 173.24 175.31 1hxm h SER 157 N 5.06 -0.17 -3.61 5.45 0.02 -1.95 -3.42 113.55 114.93 1hxm h SER 157 Ca -0.29 -0.15 -0.70 0.00 -0.84 0.00 0.00 61.79 59.81 1hxm h SER 157 Cb 1.17 0.04 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 1hxm h SER 157 CO 0.09 0.37 -0.57 -0.75 -1.14 0.00 0.00 176.83 174.83 1hxm s LYS 158 N -2.46 2.61 -0.09 3.45 2.36 -1.26 -5.08 119.74 119.26 1hxm s LYS 158 Ca -0.06 -1.26 0.02 0.00 -2.55 0.00 0.00 55.97 52.12 1hxm s LYS 158 Cb 0.00 -3.56 -0.02 0.00 -1.05 0.00 0.00 37.83 33.20 1hxm s LYS 158 CO 0.22 -0.75 -0.15 -1.59 1.55 0.00 0.00 175.35 174.63 1hxm s LYS 159 N 1.41 2.93 -0.05 4.03 -2.85 -1.26 -1.95 119.74 122.00 1hxm s LYS 159 Ca 0.00 -0.72 -0.01 0.00 -1.00 0.00 0.00 55.97 54.23 1hxm s LYS 159 Cb -0.20 -2.46 -0.01 0.00 -2.06 0.00 0.00 37.83 33.09 1hxm s LYS 159 CO 0.03 0.39 0.09 0.82 0.10 0.00 0.00 175.35 176.78 1hxm h ILE 160 N 4.96 0.00 -3.48 3.79 2.04 -0.38 -3.48 117.51 120.96 1hxm h ILE 160 Ca -0.34 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1hxm h ILE 160 Cb 1.19 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.12 1hxm h ILE 160 CO 0.52 0.00 -0.20 0.42 0.00 0.00 0.00 178.15 178.89 1hxm s THR 161 N -1.51 0.09 -0.02 -0.27 -4.23 -1.02 -4.96 115.64 103.72 1hxm s THR 161 Ca -0.01 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1hxm s THR 161 Cb 0.00 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.69 1hxm s THR 161 CO 0.02 -0.43 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.01 1hxm s GLU 162 N -3.50 0.67 0.14 3.99 2.02 -1.26 0.47 118.70 121.23 1hxm s GLU 162 Ca 0.02 -0.17 0.04 0.00 0.02 0.00 0.00 54.97 54.87 1hxm s GLU 162 Cb 0.02 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.54 1hxm s GLU 162 CO -0.09 0.04 0.18 -0.06 0.02 0.00 0.00 175.26 175.35 1hxm s PHE 163 N 0.36 3.30 0.22 1.61 0.08 0.05 -5.00 117.98 118.60 1hxm s PHE 163 Ca -0.05 0.06 -0.32 0.00 0.12 0.00 0.00 56.93 56.75 1hxm s PHE 163 Cb -0.09 -1.60 -0.14 0.00 -0.57 0.00 0.00 43.02 40.63 1hxm s PHE 163 CO -0.00 0.52 1.30 -0.25 -0.10 0.00 0.00 175.22 176.69 1hxm n ASP 164 N -0.26 2.19 -4.04 1.36 8.00 -1.26 -4.27 116.55 118.25 1hxm n ASP 164 Ca -0.08 1.15 -0.30 0.00 0.71 0.00 0.00 54.79 56.27 1hxm n ASP 164 Cb 0.54 -1.35 0.21 0.00 -0.02 0.00 0.00 41.12 40.50 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 -0.49 -0.18 -0.07 -0.24 0.04 -1.26 -4.72 135.00 128.07 1hxm s PRO 165 Ca 0.69 -0.19 -0.00 0.00 0.04 0.00 0.00 61.00 61.54 1hxm s PRO 165 Cb -0.72 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1hxm s PRO 165 CO 0.51 -3.00 -0.02 0.00 0.04 0.00 0.00 177.00 174.53 1hxm s ALA 166 N -3.42 0.77 -0.17 8.56 0.00 -0.13 -4.97 121.76 122.39 1hxm s ALA 166 Ca 0.72 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 1hxm s ALA 166 Cb -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1hxm s ALA 166 CO 0.54 -0.32 0.01 0.42 0.00 0.00 0.00 175.76 176.42 1hxm s ILE 167 N 1.61 4.27 0.12 0.00 1.09 -1.26 -1.90 121.20 125.13 1hxm s ILE 167 Ca 0.00 -0.22 0.03 0.00 -1.10 0.00 0.00 60.65 59.36 1hxm s ILE 167 Cb -0.13 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.33 1hxm s ILE 167 CO -0.04 0.47 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.50 1hxm s VAL 168 N 0.45 0.95 0.09 2.92 1.01 -0.17 -4.98 120.40 120.68 1hxm s VAL 168 Ca -0.01 -1.99 -0.28 0.00 0.00 0.00 0.00 61.98 59.70 1hxm s VAL 168 Cb -0.14 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1hxm s VAL 168 CO 0.02 -0.79 0.90 -0.63 0.00 0.00 0.00 175.10 174.59 1hxm s ILE 169 N -3.42 4.58 0.59 2.22 1.01 -1.26 -0.51 121.20 124.41 1hxm s ILE 169 Ca 0.14 1.93 -0.05 0.00 0.00 0.00 0.00 60.65 62.68 1hxm s ILE 169 Cb 0.03 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1hxm s ILE 169 CO -0.02 0.33 0.89 -0.94 0.00 0.00 0.00 174.94 175.20 1hxm s SER 170 N -0.00 5.45 0.53 3.58 1.04 -0.77 -4.79 113.70 118.73 1hxm s SER 170 Ca 0.44 0.56 0.17 0.00 0.48 0.00 0.00 55.95 57.61 1hxm s SER 170 Cb -0.22 -1.51 1.33 0.00 0.10 0.00 0.00 66.02 65.71 1hxm s SER 170 CO 0.28 -1.13 2.16 -0.65 0.98 0.00 0.00 173.24 174.87 1hxm h PRO 171 N -0.17 0.00 0.00 4.02 0.11 -1.96 0.11 132.00 134.10 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 0.00 178.00 178.82 1hxm n SER 172 N -4.46 0.00 -0.10 -2.05 7.64 -1.26 -4.84 113.62 108.54 1hxm n SER 172 Ca -0.03 -1.58 -0.01 0.00 1.01 0.00 0.00 58.87 58.25 1hxm n SER 172 Cb 0.09 0.00 -0.01 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 0.65 0.51 0.00 0.23 0.00 0.38 -5.00 105.19 101.96 1hxm n GLY 173 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.60 0.73 -4.08 1.61 5.02 -1.25 -4.67 118.16 112.92 1hxm n LYS 174 Ca -0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 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 4.18 0.60 0.11 2.13 2.02 -0.93 -1.84 117.35 123.62 1hxm s TYR 175 Ca 0.00 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 55.94 1hxm s TYR 175 Cb 0.00 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 1hxm s TYR 175 CO 0.00 -0.19 0.05 -0.80 -1.57 0.00 0.00 175.55 173.03 1hxm s ASN 176 N -2.26 0.34 0.04 2.29 0.01 0.33 -1.46 114.94 114.23 1hxm s ASN 176 Ca -0.01 -1.14 -0.27 0.00 -0.71 0.00 0.00 52.86 50.72 1hxm s ASN 176 Cb -0.02 0.28 0.07 0.00 0.41 0.00 0.00 41.25 42.00 1hxm s ASN 176 CO -0.04 -0.70 0.67 0.00 -1.51 0.00 0.00 177.10 175.52 1hxm s ALA 177 N -4.01 -1.71 0.01 0.60 0.00 0.07 -0.99 121.76 115.72 1hxm s ALA 177 Ca 0.20 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1hxm s ALA 177 Cb 0.07 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1hxm s ALA 177 CO -0.01 -0.56 -0.01 0.08 0.00 0.00 0.00 175.76 175.26 1hxm s VAL 178 N -2.42 0.04 -0.03 0.00 1.01 -0.80 -0.92 120.40 117.27 1hxm s VAL 178 Ca -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1hxm s VAL 178 Cb -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.31 1hxm s VAL 178 CO -0.02 -0.15 0.01 -0.75 0.00 0.00 0.00 175.10 174.20 1hxm s LYS 179 N -0.43 0.24 0.08 2.72 2.20 -0.84 -0.96 119.74 122.75 1hxm s LYS 179 Ca -0.05 0.14 0.07 0.00 -0.36 0.00 0.00 55.97 55.77 1hxm s LYS 179 Cb -0.03 -0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 35.74 1hxm s LYS 179 CO -0.00 -0.19 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.16 1hxm s LEU 180 N 1.30 2.88 0.21 5.43 1.02 -1.26 -0.60 118.68 127.66 1hxm s LEU 180 Ca -0.06 -0.40 -0.19 0.00 0.02 0.00 0.00 54.13 53.50 1hxm s LEU 180 Cb -0.13 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.42 1hxm s LEU 180 CO -0.02 0.21 0.59 -0.83 0.02 0.00 0.00 176.35 176.31 1hxm s GLY 181 N -1.89 -0.19 -0.14 -3.19 0.00 -0.63 -0.77 107.32 100.51 1hxm s GLY 181 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 1hxm s GLY 181 CO 0.10 -0.14 -0.12 0.54 0.00 0.00 0.00 173.10 173.48 1hxm s LYS 182 N -3.86 3.39 -0.00 2.90 1.02 0.18 -1.70 119.74 121.66 1hxm s LYS 182 Ca 0.08 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1hxm s LYS 182 Cb -0.02 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1hxm s LYS 182 CO -0.02 0.16 0.00 0.71 -0.92 0.00 0.00 175.35 175.28 1hxm s TYR 183 N 0.50 0.02 0.06 3.18 2.02 0.24 0.43 117.35 123.82 1hxm s TYR 183 Ca -0.08 0.01 -0.31 0.00 -0.37 0.00 0.00 57.07 56.31 1hxm s TYR 183 Cb -0.16 -0.04 -0.18 0.00 -0.40 0.00 0.00 41.96 41.18 1hxm s TYR 183 CO 0.04 -0.01 1.59 0.93 -1.57 0.00 0.00 175.55 176.53 1hxm h GLU 184 N 6.26 -0.78 -1.23 -0.62 4.39 -1.69 -2.85 114.58 118.06 1hxm h GLU 184 Ca -0.26 0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 1hxm h GLU 184 Cb 1.20 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.97 1hxm h GLU 184 CO 0.51 -0.50 0.14 -0.40 -1.16 0.00 0.00 179.01 177.59 1hxm n ASP 185 N -5.42 3.90 -0.44 1.42 5.75 -1.26 -4.61 116.55 115.90 1hxm n ASP 185 Ca -0.13 -2.41 0.36 0.00 -0.01 0.00 0.00 54.79 52.60 1hxm n ASP 185 Cb 0.34 -0.72 0.65 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.47 0.23 0.08 -1.12 4.64 -1.83 0.67 113.55 116.69 1hxm h SER 186 Ca 0.12 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1hxm h SER 186 Cb 1.25 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1hxm h SER 186 CO 0.24 -0.10 -0.06 0.78 -0.87 0.00 0.00 176.83 176.82 1hxm h ASN 187 N 0.13 0.00 0.01 4.97 2.35 -1.88 -2.78 115.58 118.37 1hxm h ASN 187 Ca 0.76 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.46 1hxm h ASN 187 Cb 2.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.83 1hxm h ASN 187 CO -0.31 0.06 -2.05 -1.54 -1.65 0.00 0.00 177.43 171.95 1hxm n SER 188 N -4.34 0.01 -4.50 5.81 3.41 0.19 -5.00 113.62 109.20 1hxm n SER 188 Ca -0.03 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.11 1hxm n SER 188 Cb 0.15 1.85 -0.03 0.00 -0.26 0.00 0.00 64.21 65.92 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 -2.33 1.82 -4.25 -3.33 0.31 -0.98 -5.00 118.33 104.57 1hxm n VAL 189 Ca -0.08 -0.46 -0.14 0.00 -0.01 0.00 0.00 64.34 63.66 1hxm n VAL 189 Cb 0.65 -0.50 -0.10 0.00 -0.91 0.00 0.00 33.84 32.98 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 -0.91 0.34 -0.08 2.52 -4.23 -1.18 -4.98 115.64 107.11 1hxm s THR 190 Ca 0.64 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 1hxm s THR 190 Cb -0.84 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 70.51 1hxm s THR 190 CO 0.57 -0.09 -0.24 0.00 -0.54 0.00 0.00 174.62 174.33 1hxm s SER 192 N 0.09 2.12 0.09 0.00 0.01 0.47 -0.24 113.70 116.24 1hxm s SER 192 Ca -0.11 -0.34 0.10 0.00 1.31 0.00 0.00 55.95 56.91 1hxm s SER 192 Cb -0.16 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 1hxm s SER 192 CO 0.06 0.16 -0.26 -0.69 0.41 0.00 0.00 173.24 172.91 1hxm s VAL 193 N -0.02 2.24 -0.24 3.43 1.01 0.56 -0.83 120.40 126.55 1hxm s VAL 193 Ca -0.02 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.35 1hxm s VAL 193 Cb -0.11 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1hxm s VAL 193 CO 0.02 0.21 -0.06 -1.58 0.00 0.00 0.00 175.10 173.68 1hxm s GLN 194 N -1.71 2.89 -0.14 2.72 2.00 -0.21 -1.27 119.66 123.94 1hxm s GLN 194 Ca 0.13 -0.94 -0.08 0.00 -2.00 0.00 0.00 55.36 52.47 1hxm s GLN 194 Cb -0.10 -2.98 0.05 0.00 0.80 0.00 0.00 33.01 30.78 1hxm s GLN 194 CO 0.04 -0.38 0.34 -1.58 -0.50 0.00 0.00 175.29 173.22 1hxm s HIS 195 N 1.34 -0.47 -1.39 1.67 5.65 -0.14 -2.04 115.29 119.92 1hxm s HIS 195 Ca 0.01 1.05 -0.03 0.00 0.25 0.00 0.00 55.06 56.33 1hxm s HIS 195 Cb -0.16 0.17 0.02 0.00 -1.18 0.00 0.00 32.58 31.43 1hxm s HIS 195 CO -0.05 -0.28 0.69 -3.47 -0.65 0.00 0.00 174.74 170.99 1hxm n ASP 196 N 3.98 -1.76 -0.08 9.88 2.03 -1.26 -0.03 116.55 129.31 1hxm n ASP 196 Ca -0.22 -0.86 -0.01 0.00 0.52 0.00 0.00 54.79 54.22 1hxm n ASP 196 Cb 0.55 -3.74 -0.00 0.00 -0.72 0.00 0.00 41.12 37.20 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 -2.98 -5.81 -4.83 1.67 3.02 -1.26 -4.96 115.26 100.11 1hxm n ASN 197 Ca -0.22 0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.14 1hxm n ASN 197 Cb 0.64 -3.40 -0.04 0.00 -0.61 0.00 0.00 39.78 36.37 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 -1.99 2.49 -0.16 3.52 1.02 0.96 -5.12 119.74 120.47 1hxm s LYS 198 Ca 0.00 -1.54 -0.00 0.00 0.02 0.00 0.00 55.97 54.44 1hxm s LYS 198 Cb 0.00 -2.30 0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1hxm s LYS 198 CO 0.00 -0.08 -0.06 0.99 -0.92 0.00 0.00 175.35 175.28 1hxm s THR 199 N -2.45 1.13 -0.11 2.17 2.01 -1.26 -0.96 115.64 116.17 1hxm s THR 199 Ca 0.44 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 1hxm s THR 199 Cb -0.02 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1hxm s THR 199 CO 0.26 0.19 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.60 1hxm s VAL 200 N 1.63 3.47 0.16 3.82 1.01 -0.40 -4.95 120.40 125.14 1hxm s VAL 200 Ca 0.02 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1hxm s VAL 200 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1hxm s VAL 200 CO -0.08 0.55 -0.03 -1.00 0.00 0.00 0.00 175.10 174.54 1hxm s HIS 201 N -0.16 2.82 0.32 5.22 3.76 -1.26 -0.32 115.29 125.67 1hxm s HIS 201 Ca 0.01 -0.14 0.06 0.00 -0.15 0.00 0.00 55.06 54.84 1hxm s HIS 201 Cb -0.13 -1.39 0.55 0.00 1.11 0.00 0.00 32.58 32.72 1hxm s HIS 201 CO 0.03 0.50 1.79 0.66 -0.85 0.00 0.00 174.74 176.87 1hxm h SER 202 N 2.91 0.33 0.88 1.40 4.64 -0.79 -1.55 113.55 121.37 1hxm h SER 202 Ca -0.47 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1hxm h SER 202 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1hxm h SER 202 CO 0.57 0.58 0.00 0.35 -0.87 0.00 0.00 176.83 177.46 1hxm n THR 203 N -4.15 0.77 0.93 2.95 -2.24 -1.26 -2.52 114.28 108.76 1hxm n THR 203 Ca -0.01 0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.96 1hxm n THR 203 Cb 0.37 -1.03 0.36 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.20 0.00 -0.37 3.42 9.92 -0.58 -2.37 116.55 124.37 1hxm n ASP 204 Ca 0.03 -0.55 0.05 0.00 -0.53 0.00 0.00 54.79 53.79 1hxm n ASP 204 Cb 0.27 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.82 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 -0.91 0.00 -0.46 1.24 3.72 -1.05 -5.02 117.46 114.99 1hxm n PHE 205 Ca 0.09 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 1hxm n PHE 205 Cb 0.04 -0.11 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