#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxm n GLY 2 N 0.00 -1.65 3.51 0.00 0.00 -1.09 -4.95 105.19 101.01 1hxm n GLY 2 Ca 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 1hxm n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hxm s HIS 3 N -3.42 -0.43 -0.10 1.61 -0.00 0.29 -4.95 115.29 108.29 1hxm s HIS 3 Ca 0.65 0.21 -0.04 0.00 -0.00 0.00 0.00 55.06 55.89 1hxm s HIS 3 Cb -0.02 0.58 -0.04 0.00 -0.00 0.00 0.00 32.58 33.10 1hxm s HIS 3 CO 0.46 -0.82 0.04 -0.51 -0.00 0.00 0.00 174.74 173.91 1hxm s LEU 4 N -2.71 3.79 -0.02 5.38 1.43 -1.26 -1.41 118.68 123.88 1hxm s LEU 4 Ca 0.04 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1hxm s LEU 4 Cb -0.02 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1hxm s LEU 4 CO -0.09 0.37 -0.22 -1.61 0.23 0.00 0.00 176.35 175.03 1hxm s GLU 5 N -0.81 2.20 -0.44 1.70 2.02 0.42 -4.43 118.70 119.36 1hxm s GLU 5 Ca 0.13 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1hxm s GLU 5 Cb -0.12 -2.16 0.15 0.00 0.10 0.00 0.00 34.13 32.11 1hxm s GLU 5 CO 0.03 0.57 0.29 -0.65 0.02 0.00 0.00 175.26 175.52 1hxm s GLN 6 N -0.79 1.16 0.30 1.61 -0.21 -1.26 -0.56 119.66 119.91 1hxm s GLN 6 Ca 0.11 -2.03 0.05 0.00 0.02 0.00 0.00 55.36 53.52 1hxm s GLN 6 Cb -0.10 -1.99 0.75 0.00 1.00 0.00 0.00 33.01 32.67 1hxm s GLN 6 CO 0.00 -1.24 1.74 -1.35 -2.12 0.00 0.00 175.29 172.32 1hxm h PRO 7 N 6.37 0.57 -5.94 2.91 0.11 -1.94 -3.39 132.00 130.69 1hxm h PRO 7 Ca 0.09 -0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.69 1hxm h PRO 7 Cb 0.91 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1hxm h PRO 7 CO 0.43 0.38 1.29 -0.65 -0.21 0.00 0.00 178.00 179.24 1hxm s GLN 8 N -5.86 2.61 0.33 1.05 -0.21 -1.26 -4.80 119.66 111.52 1hxm s GLN 8 Ca -0.11 0.52 0.02 0.00 0.02 0.00 0.00 55.36 55.81 1hxm s GLN 8 Cb 0.25 -4.46 0.60 0.00 1.00 0.00 0.00 33.01 30.39 1hxm s GLN 8 CO 0.79 -2.81 1.95 0.82 -2.12 0.00 0.00 175.29 173.92 1hxm h ILE 9 N 6.94 1.10 -2.93 1.08 1.08 -1.86 -3.40 117.51 119.52 1hxm h ILE 9 Ca -0.22 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 1hxm h ILE 9 Cb 1.15 0.08 -0.13 0.00 -3.07 0.00 0.00 36.82 34.85 1hxm h ILE 9 CO 1.22 0.17 0.18 -0.94 -0.69 0.00 0.00 178.15 178.09 1hxm s SER 10 N -6.20 -0.55 -0.14 1.72 1.04 -1.26 -1.99 113.70 106.31 1hxm s SER 10 Ca -0.11 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 1hxm s SER 10 Cb 0.19 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.93 1hxm s SER 10 CO 0.78 -0.92 -0.01 -0.55 0.98 0.00 0.00 173.24 173.52 1hxm s SER 11 N -2.58 2.40 -0.18 7.02 0.15 0.97 -4.73 113.70 116.75 1hxm s SER 11 Ca -0.00 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 1hxm s SER 11 Cb -0.01 -0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 63.60 1hxm s SER 11 CO -0.10 -0.22 0.25 -0.89 1.20 0.00 0.00 173.24 173.48 1hxm s THR 12 N 1.82 5.32 0.03 6.45 2.01 -1.26 -0.53 115.64 129.48 1hxm s THR 12 Ca 0.02 0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.45 1hxm s THR 12 Cb -0.15 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1hxm s THR 12 CO -0.07 0.38 0.01 -0.54 -0.69 0.00 0.00 174.62 173.70 1hxm s LYS 13 N 0.62 0.46 0.18 4.92 -0.14 0.90 -4.95 119.74 121.73 1hxm s LYS 13 Ca 0.14 -0.79 -0.02 0.00 -1.36 0.00 0.00 55.97 53.94 1hxm s LYS 13 Cb -0.13 0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 36.14 1hxm s LYS 13 CO 0.03 -0.09 0.38 0.95 -0.76 0.00 0.00 175.35 175.86 1hxm s THR 14 N -2.37 5.20 0.60 2.17 -4.23 -1.26 -1.74 115.64 114.01 1hxm s THR 14 Ca -0.07 -0.25 -0.18 0.00 -1.18 0.00 0.00 61.69 60.01 1hxm s THR 14 Cb -0.03 -3.70 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 1hxm s THR 14 CO -0.04 -0.10 -0.20 0.18 -0.54 0.00 0.00 174.62 173.93 1hxm n LEU 15 N -0.40 -3.76 0.00 4.79 4.32 -1.20 -1.90 117.00 118.85 1hxm n LEU 15 Ca -0.04 0.58 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 1hxm n LEU 15 Cb 0.53 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 1hxm n LEU 15 CO 0.49 -4.89 0.00 -1.20 -1.22 0.00 0.00 177.39 170.57 1hxm n SER 16 N 2.51 0.00 -4.56 -1.43 7.64 -0.59 -4.95 113.62 112.24 1hxm n SER 16 Ca 0.06 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.66 1hxm n SER 16 Cb 0.49 -0.20 0.17 0.00 -1.01 0.00 0.00 64.21 63.67 1hxm n SER 16 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1hxm s LYS 17 N 0.00 0.39 -0.18 1.43 2.47 -0.80 -4.15 119.74 118.90 1hxm s LYS 17 Ca 0.00 0.29 0.01 0.00 -1.56 0.00 0.00 55.97 54.71 1hxm s LYS 17 Cb 0.00 -1.75 0.02 0.00 -1.46 0.00 0.00 37.83 34.63 1hxm s LYS 17 CO 0.00 -2.71 -0.19 -0.08 0.16 0.00 0.00 175.35 172.53 1hxm s THR 18 N -3.12 2.18 0.24 3.43 -1.32 -1.26 0.20 115.64 115.98 1hxm s THR 18 Ca 0.66 -0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 60.18 1hxm s THR 18 Cb -0.15 -1.91 -0.06 0.00 -1.51 0.00 0.00 72.50 68.87 1hxm s THR 18 CO 0.56 0.53 0.50 0.00 -2.21 0.00 0.00 174.62 174.00 1hxm s ALA 19 N 1.22 3.67 -0.23 11.08 0.00 0.16 -4.91 121.76 132.75 1hxm s ALA 19 Ca 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 1hxm s ALA 19 Cb -0.14 -2.26 0.08 0.00 0.00 0.00 0.00 23.12 20.81 1hxm s ALA 19 CO -0.10 0.41 0.09 1.03 0.00 0.00 0.00 175.76 177.18 1hxm s ARG 20 N -3.19 0.34 -0.23 0.00 0.52 -1.26 0.28 118.95 115.41 1hxm s ARG 20 Ca 0.43 -0.45 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 1hxm s ARG 20 Cb -0.11 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 1hxm s ARG 20 CO 0.27 -0.82 0.18 -0.51 0.02 0.00 0.00 175.30 174.44 1hxm s LEU 21 N 1.98 4.14 0.15 2.53 1.02 0.24 -4.94 118.68 123.80 1hxm s LEU 21 Ca 0.05 0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.40 1hxm s LEU 21 Cb -0.16 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.86 1hxm s LEU 21 CO -0.20 0.07 0.30 -1.61 0.02 0.00 0.00 176.35 174.93 1hxm s GLU 22 N 0.95 3.45 -0.05 1.70 2.02 -1.26 -0.30 118.70 125.20 1hxm s GLU 22 Ca 0.09 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 1hxm s GLU 22 Cb -0.13 -2.95 0.04 0.00 0.10 0.00 0.00 34.13 31.18 1hxm s GLU 22 CO 0.04 0.51 0.10 0.00 0.02 0.00 0.00 175.26 175.92 1hxm s VAL 24 N 1.92 2.41 0.14 0.00 -7.23 0.28 0.01 120.40 117.93 1hxm s VAL 24 Ca 0.01 -0.84 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 1hxm s VAL 24 Cb -0.12 -2.02 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 1hxm s VAL 24 CO -0.04 0.52 0.42 0.68 -0.31 0.00 0.00 175.10 176.37 1hxm s VAL 25 N 1.05 5.09 -0.05 1.32 -7.23 -0.45 -0.44 120.40 119.68 1hxm s VAL 25 Ca -0.01 0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 60.43 1hxm s VAL 25 Cb -0.14 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.20 1hxm s VAL 25 CO -0.05 0.11 0.11 -0.94 -0.31 0.00 0.00 175.10 174.02 1hxm s SER 26 N -2.15 0.11 0.00 4.85 1.04 -0.50 -4.83 113.70 112.22 1hxm s SER 26 Ca 0.39 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1hxm s SER 26 Cb -0.13 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1hxm s SER 26 CO 0.21 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1hxm n GLY 27 N 4.39 0.42 2.96 7.32 0.00 -1.26 -0.54 105.19 118.48 1hxm n GLY 27 Ca -0.23 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1hxm n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxm s ILE 28 N -2.00 0.30 -0.62 -0.61 -1.09 -1.26 -2.66 121.20 113.26 1hxm s ILE 28 Ca 0.00 -0.43 -0.28 0.00 -2.23 0.00 0.00 60.65 57.71 1hxm s ILE 28 Cb 0.00 -0.31 0.03 0.00 -1.58 0.00 0.00 42.46 40.60 1hxm s ILE 28 CO 0.00 -0.09 1.22 0.28 -1.23 0.00 0.00 174.94 175.12 1hxm s THR 29 N -0.52 3.93 0.00 2.92 -1.32 -1.26 -4.94 115.64 114.45 1hxm s THR 29 Ca -0.03 0.77 0.00 0.00 -1.21 0.00 0.00 61.69 61.22 1hxm s THR 29 Cb -0.04 -4.78 0.00 0.00 -1.51 0.00 0.00 72.50 66.17 1hxm s THR 29 CO -0.00 -1.49 0.07 -0.38 -2.21 0.00 0.00 174.62 170.62 1hxm n ILE 30 N 6.59 0.00 -1.54 5.08 -0.00 -1.26 -4.38 119.36 123.86 1hxm n ILE 30 Ca 0.07 0.57 -0.23 0.00 -0.00 0.00 0.00 62.75 63.16 1hxm n ILE 30 Cb 0.49 -1.56 -0.11 0.00 -0.00 0.00 0.00 39.64 38.46 1hxm n ILE 30 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1hxm n SER 31 N -0.08 0.95 0.00 4.38 7.64 -1.26 -1.31 113.62 123.95 1hxm n SER 31 Ca 0.00 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1hxm n SER 31 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1hxm n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hxm n ALA 32 N 14.05 0.00 -2.45 -0.43 0.00 -1.26 -5.10 120.51 125.31 1hxm n ALA 32 Ca 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.79 1hxm n ALA 32 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 1hxm n ALA 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1hxm s THR 33 N 0.00 0.00 0.19 0.00 -4.23 -0.42 -4.92 115.64 106.26 1hxm s THR 33 Ca 0.00 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1hxm s THR 33 Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1hxm s THR 33 CO 0.00 0.00 0.39 -0.44 -0.54 0.00 0.00 174.62 174.03 1hxm s SER 34 N -3.32 6.40 -0.24 3.99 0.01 -1.26 -4.19 113.70 115.09 1hxm s SER 34 Ca 0.38 0.43 -0.11 0.00 1.31 0.00 0.00 55.95 57.95 1hxm s SER 34 Cb 0.02 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 1hxm s SER 34 CO 0.24 -0.03 0.20 -0.69 0.41 0.00 0.00 173.24 173.37 1hxm s VAL 35 N -1.84 5.33 0.24 3.43 1.01 -0.92 -4.50 120.40 123.15 1hxm s VAL 35 Ca 0.39 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.69 1hxm s VAL 35 Cb -0.11 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1hxm s VAL 35 CO 0.28 0.32 0.23 -0.31 0.00 0.00 0.00 175.10 175.63 1hxm s TYR 36 N 1.17 3.20 -0.12 5.22 2.02 0.89 -1.71 117.35 128.01 1hxm s TYR 36 Ca 0.09 -0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1hxm s TYR 36 Cb -0.14 -1.45 0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1hxm s TYR 36 CO 0.06 0.50 0.02 -1.58 -1.57 0.00 0.00 175.55 172.98 1hxm s TRP 37 N -2.06 0.75 0.05 2.71 0.52 0.32 -1.41 118.94 119.82 1hxm s TRP 37 Ca 0.33 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 56.07 1hxm s TRP 37 Cb -0.08 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.33 1hxm s TRP 37 CO 0.26 -0.43 0.10 0.71 0.02 0.00 0.00 176.95 177.61 1hxm s TYR 38 N 1.95 3.28 -0.12 -1.98 2.02 0.23 -0.67 117.35 122.06 1hxm s TYR 38 Ca 0.03 0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1hxm s TYR 38 Cb -0.14 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1hxm s TYR 38 CO -0.06 0.55 -0.22 0.50 -1.57 0.00 0.00 175.55 174.74 1hxm s ARG 39 N -2.21 2.98 -0.54 -0.62 3.52 0.81 0.00 118.95 122.89 1hxm s ARG 39 Ca 0.28 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1hxm s ARG 39 Cb -0.12 -2.34 0.14 0.00 -1.56 0.00 0.00 34.95 31.07 1hxm s ARG 39 CO 0.21 0.07 0.33 -2.00 -0.81 0.00 0.00 175.30 173.09 1hxm s GLU 40 N 0.62 2.23 0.65 5.12 2.12 0.14 -1.69 118.70 127.90 1hxm s GLU 40 Ca -0.12 -2.42 -0.17 0.00 0.36 0.00 0.00 54.97 52.61 1hxm s GLU 40 Cb -0.17 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1hxm s GLU 40 CO 0.03 -1.12 1.21 0.50 -0.54 0.00 0.00 175.26 175.34 1hxm s ARG 41 N 0.09 2.63 0.19 4.30 6.06 -1.26 -1.50 118.95 129.45 1hxm s ARG 41 Ca 0.15 1.81 -0.31 0.00 -2.50 0.00 0.00 55.73 54.88 1hxm s ARG 41 Cb -0.22 -1.89 -0.09 0.00 0.06 0.00 0.00 34.95 32.81 1hxm s ARG 41 CO -0.03 -1.47 1.40 -1.25 -2.50 0.00 0.00 175.30 171.46 1hxm s PRO 42 N -3.58 4.31 0.00 5.12 0.04 -1.26 -1.51 135.00 138.12 1hxm s PRO 42 Ca 0.76 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.98 1hxm s PRO 42 Cb -0.30 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1hxm s PRO 42 CO 0.39 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1hxm n GLY 43 N 2.80 2.91 3.96 0.56 0.00 -1.26 -5.01 105.19 109.15 1hxm n GLY 43 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1hxm n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hxm s GLU 44 N -0.16 1.06 0.14 1.61 2.02 -0.57 -5.10 118.70 117.69 1hxm s GLU 44 Ca 0.00 -0.78 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 1hxm s GLU 44 Cb 0.00 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1hxm s GLU 44 CO 0.00 -2.01 0.31 0.54 0.02 0.00 0.00 175.26 174.12 1hxm s VAL 45 N -3.56 5.28 0.22 2.63 0.11 -1.26 -4.70 120.40 119.12 1hxm s VAL 45 Ca 0.71 -0.39 -0.32 0.00 -2.93 0.00 0.00 61.98 59.05 1hxm s VAL 45 Cb -0.04 -3.69 -0.12 0.00 -1.53 0.00 0.00 36.38 31.00 1hxm s VAL 45 CO 0.49 -0.03 1.63 -0.38 -3.33 0.00 0.00 175.10 173.48 1hxm n ILE 46 N -0.25 0.35 -4.01 7.04 5.41 -1.26 -4.57 119.36 122.08 1hxm n ILE 46 Ca -0.05 -0.09 -0.09 0.00 1.00 0.00 0.00 62.75 63.52 1hxm n ILE 46 Cb 0.53 -1.83 -0.11 0.00 -0.71 0.00 0.00 39.64 37.52 1hxm n ILE 46 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1hxm s GLN 47 N 0.53 0.39 0.35 0.38 0.74 -0.68 -4.97 119.66 116.41 1hxm s GLN 47 Ca 0.72 -0.72 -0.28 0.00 0.05 0.00 0.00 55.36 55.14 1hxm s GLN 47 Cb -0.56 0.05 -0.11 0.00 1.10 0.00 0.00 33.01 33.49 1hxm s GLN 47 CO 0.39 -0.04 1.39 0.12 -0.55 0.00 0.00 175.29 176.61 1hxm s PHE 48 N -1.75 2.82 0.00 1.67 2.19 -1.26 -0.13 117.98 121.51 1hxm s PHE 48 Ca -0.12 1.30 0.00 0.00 0.33 0.00 0.00 56.93 58.44 1hxm s PHE 48 Cb -0.08 -3.85 0.00 0.00 -1.31 0.00 0.00 43.02 37.79 1hxm s PHE 48 CO -0.02 -2.41 0.00 -0.11 1.83 0.00 0.00 175.22 174.51 1hxm n LEU 49 N 0.62 0.00 -4.11 6.12 7.94 0.16 -4.63 117.00 123.09 1hxm n LEU 49 Ca 0.01 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.80 1hxm n LEU 49 Cb 0.41 -0.08 -0.09 0.00 0.53 0.00 0.00 43.42 44.19 1hxm n LEU 49 CO 0.61 -0.30 -0.13 0.68 -1.11 0.00 0.00 177.39 177.14 1hxm s VAL 50 N -0.61 0.03 -0.10 1.96 -7.23 -1.08 -0.17 120.40 113.20 1hxm s VAL 50 Ca 0.00 -1.77 -0.25 0.00 -1.81 0.00 0.00 61.98 58.14 1hxm s VAL 50 Cb 0.00 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.74 1hxm s VAL 50 CO 0.00 -0.12 0.60 -0.94 -0.31 0.00 0.00 175.10 174.32 1hxm s SER 51 N -3.08 -0.57 -0.13 4.85 1.04 -0.43 -0.52 113.70 114.85 1hxm s SER 51 Ca 0.30 0.77 0.01 0.00 0.48 0.00 0.00 55.95 57.51 1hxm s SER 51 Cb 0.05 0.72 0.02 0.00 0.10 0.00 0.00 66.02 66.91 1hxm s SER 51 CO 0.08 -0.46 -0.16 -0.51 0.98 0.00 0.00 173.24 173.16 1hxm s ILE 52 N -0.75 1.66 0.80 -1.02 2.07 -0.70 -1.81 121.20 121.46 1hxm s ILE 52 Ca -0.08 -0.72 -0.07 0.00 -1.41 0.00 0.00 60.65 58.38 1hxm s ILE 52 Cb -0.02 -1.52 0.14 0.00 0.13 0.00 0.00 42.46 41.19 1hxm s ILE 52 CO 0.06 0.47 1.11 -0.44 -1.91 0.00 0.00 174.94 174.23 1hxm s SER 53 N 1.15 3.99 0.09 4.50 0.01 -0.45 -2.17 113.70 120.81 1hxm s SER 53 Ca -0.02 -0.06 -0.24 0.00 1.31 0.00 0.00 55.95 56.94 1hxm s SER 53 Cb -0.14 -0.24 -0.15 0.00 0.21 0.00 0.00 66.02 65.70 1hxm s SER 53 CO -0.06 -2.12 1.72 0.10 0.41 0.00 0.00 173.24 173.29 1hxm h TYR 54 N -0.91 -0.15 0.00 2.43 -0.00 -1.89 -1.68 116.97 114.77 1hxm h TYR 54 Ca -0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.33 1hxm h TYR 54 Cb 1.26 0.05 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 1hxm h TYR 54 CO -0.46 -0.09 0.00 -0.40 -0.00 0.00 0.00 178.16 177.21 1hxm n ASP 55 N -5.16 0.16 0.00 0.10 3.85 -1.26 -4.77 116.55 109.46 1hxm n ASP 55 Ca -0.08 -0.46 0.00 0.00 -0.71 0.00 0.00 54.79 53.55 1hxm n ASP 55 Cb 0.09 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 1hxm n ASP 55 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hxm n GLY 56 N 0.18 0.98 3.79 6.12 0.00 -0.63 -4.99 105.19 110.64 1hxm n GLY 56 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1hxm n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hxm s THR 57 N -2.17 3.72 -0.12 2.61 -4.23 -1.26 -4.74 115.64 109.46 1hxm s THR 57 Ca 0.00 1.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.70 1hxm s THR 57 Cb 0.00 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.32 1hxm s THR 57 CO 0.00 -0.14 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.08 1hxm s VAL 58 N -1.84 1.66 0.01 2.29 1.01 -1.26 -1.34 120.40 120.93 1hxm s VAL 58 Ca 0.64 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1hxm s VAL 58 Cb -0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1hxm s VAL 58 CO 0.23 0.47 -0.13 0.00 0.00 0.00 0.00 175.10 175.68 1hxm s ARG 59 N 0.96 2.35 0.07 2.72 1.70 -0.75 -4.97 118.95 121.05 1hxm s ARG 59 Ca -0.06 -0.82 0.08 0.00 -0.47 0.00 0.00 55.73 54.46 1hxm s ARG 59 Cb -0.15 -2.36 -0.03 0.00 -0.57 0.00 0.00 34.95 31.84 1hxm s ARG 59 CO -0.02 0.58 -0.22 -1.59 -1.08 0.00 0.00 175.30 172.96 1hxm s LYS 60 N -1.30 1.37 0.88 3.89 -2.85 -1.26 -1.31 119.74 119.14 1hxm s LYS 60 Ca 0.15 -1.09 -0.13 0.00 -1.00 0.00 0.00 55.97 53.90 1hxm s LYS 60 Cb -0.11 -1.59 0.05 0.00 -2.06 0.00 0.00 37.83 34.12 1hxm s LYS 60 CO 0.05 0.39 0.73 -1.91 0.10 0.00 0.00 175.35 174.72 1hxm n GLU 61 N 1.47 -0.13 -1.83 1.78 4.07 0.76 -4.89 120.64 121.87 1hxm n GLU 61 Ca -0.18 0.02 -0.41 0.00 -0.06 0.00 0.00 57.16 56.53 1hxm n GLU 61 Cb 0.53 -2.07 -0.01 0.00 -0.06 0.00 0.00 31.44 29.83 1hxm n GLU 61 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1hxm s SER 62 N -2.07 6.42 0.00 4.31 0.15 -1.26 -2.51 113.70 118.75 1hxm s SER 62 Ca 0.64 2.92 0.00 0.00 0.70 0.00 0.00 55.95 60.21 1hxm s SER 62 Cb -0.25 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1hxm s SER 62 CO 0.61 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1hxm n GLY 63 N 1.72 3.27 3.68 9.45 0.00 -1.26 -5.01 105.19 117.03 1hxm n GLY 63 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 1hxm n GLY 63 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hxm n ILE 64 N -1.94 0.40 -0.96 -0.61 2.08 -1.04 -4.93 119.36 112.36 1hxm n ILE 64 Ca 0.00 -0.07 -0.29 0.00 0.56 0.00 0.00 62.75 62.94 1hxm n ILE 64 Cb 0.00 -1.94 0.18 0.00 -0.75 0.00 0.00 39.64 37.12 1hxm n ILE 64 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1hxm s PRO 65 N 2.97 0.53 0.46 0.38 0.04 -1.26 -5.01 135.00 133.12 1hxm s PRO 65 Ca 0.86 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1hxm s PRO 65 Cb -0.58 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 1hxm s PRO 65 CO 0.43 -2.76 1.04 0.45 0.04 0.00 0.00 177.00 176.20 1hxm s SER 66 N -3.09 6.47 -1.64 6.66 0.15 -1.26 -3.99 113.70 117.00 1hxm s SER 66 Ca 0.65 1.96 -0.18 0.00 0.70 0.00 0.00 55.95 59.08 1hxm s SER 66 Cb -0.21 -2.57 0.15 0.00 -1.71 0.00 0.00 66.02 61.69 1hxm s SER 66 CO 0.59 -0.69 0.77 0.61 1.20 0.00 0.00 173.24 175.71 1hxm n GLY 67 N -0.09 -0.46 0.37 9.45 0.00 -1.26 -4.86 105.19 108.34 1hxm n GLY 67 Ca 0.08 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1hxm n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hxm n LYS 68 N -4.31 0.41 -4.30 1.61 3.00 -1.26 -4.82 118.16 108.51 1hxm n LYS 68 Ca 0.07 0.17 -0.26 0.00 -0.00 0.00 0.00 58.31 58.29 1hxm n LYS 68 Cb 0.49 -1.20 -0.09 0.00 0.00 0.00 0.00 35.03 34.23 1hxm n LYS 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1hxm s PHE 69 N -2.35 2.64 -0.07 5.64 0.08 -1.26 -1.19 117.98 121.47 1hxm s PHE 69 Ca -0.26 -0.22 -0.07 0.00 0.12 0.00 0.00 56.93 56.49 1hxm s PHE 69 Cb 0.10 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.31 1hxm s PHE 69 CO 0.35 0.55 0.21 -1.21 -0.10 0.00 0.00 175.22 175.01 1hxm s GLU 70 N -3.06 0.28 0.07 0.44 2.02 -0.58 -4.96 118.70 112.91 1hxm s GLU 70 Ca 0.27 0.21 0.05 0.00 0.02 0.00 0.00 54.97 55.52 1hxm s GLU 70 Cb -0.08 0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.25 1hxm s GLU 70 CO 0.16 -0.04 -0.13 0.08 0.02 0.00 0.00 175.26 175.36 1hxm s VAL 71 N -0.07 1.00 0.24 2.63 1.01 -1.26 -0.06 120.40 123.90 1hxm s VAL 71 Ca -0.02 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 1hxm s VAL 71 Cb -0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1hxm s VAL 71 CO 0.01 -0.29 0.43 1.51 0.00 0.00 0.00 175.10 176.76 1hxm s ASP 72 N -1.79 -0.06 -0.47 3.32 -4.77 -1.19 -4.98 116.67 106.72 1hxm s ASP 72 Ca -0.03 -0.98 0.06 0.00 -3.30 0.00 0.00 52.55 48.31 1hxm s ASP 72 Cb -0.09 0.56 0.20 0.00 -1.09 0.00 0.00 42.92 42.49 1hxm s ASP 72 CO 0.02 -1.10 0.62 -2.11 0.70 0.00 0.00 175.17 173.30 1hxm n ARG 73 N -0.37 0.48 -1.77 2.11 -4.01 -1.26 -2.84 116.66 109.01 1hxm n ARG 73 Ca -0.01 -2.42 -0.38 0.00 -1.04 0.00 0.00 57.85 54.00 1hxm n ARG 73 Cb 0.62 -1.51 -0.03 0.00 -3.04 0.00 0.00 32.46 28.51 1hxm n ARG 73 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1hxm s ILE 74 N 0.45 3.17 -1.48 8.89 1.09 -0.81 -4.86 121.20 127.66 1hxm s ILE 74 Ca 0.32 0.12 0.15 0.00 -1.10 0.00 0.00 60.65 60.13 1hxm s ILE 74 Cb 0.06 -3.38 0.27 0.00 -1.06 0.00 0.00 42.46 38.35 1hxm s ILE 74 CO -0.13 -0.35 1.40 -0.81 -0.10 0.00 0.00 174.94 174.96 1hxm n PRO 75 N 8.99 0.23 0.08 2.79 -0.04 -1.26 -1.99 135.00 143.80 1hxm n PRO 75 Ca 0.29 0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.65 1hxm n PRO 75 Cb 0.52 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 1hxm n PRO 75 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1hxm h GLU 76 N 0.00 0.42 -0.62 0.54 3.07 -1.95 -3.23 114.58 112.81 1hxm h GLU 76 Ca 0.00 -0.72 0.00 0.00 -0.50 0.00 0.00 59.36 58.14 1hxm h GLU 76 Cb 0.13 0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1hxm h GLU 76 CO 0.00 1.34 0.00 0.25 -1.40 0.00 0.00 179.01 179.20 1hxm n THR 77 N -3.64 2.49 -3.51 1.13 -2.24 -1.12 -4.93 114.28 102.46 1hxm n THR 77 Ca -0.23 -1.26 -0.24 0.00 -2.27 0.00 0.00 64.05 60.04 1hxm n THR 77 Cb 1.07 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 1hxm n THR 77 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1hxm n SER 78 N 0.57 -0.44 -4.06 3.42 2.88 -0.84 -4.88 113.62 110.26 1hxm n SER 78 Ca 0.25 -0.80 -0.16 0.00 -1.33 0.00 0.00 58.87 56.83 1hxm n SER 78 Cb 1.11 -1.01 -0.13 0.00 -0.75 0.00 0.00 64.21 63.43 1hxm n SER 78 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hxm s THR 79 N -3.01 0.70 -0.01 2.46 -1.32 -0.89 -1.34 115.64 112.23 1hxm s THR 79 Ca 0.32 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 60.05 1hxm s THR 79 Cb -0.18 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 1hxm s THR 79 CO 0.64 -0.11 -0.21 -0.55 -2.21 0.00 0.00 174.62 172.19 1hxm s SER 80 N -1.01 3.52 -0.11 8.08 0.15 0.10 -1.92 113.70 122.51 1hxm s SER 80 Ca -0.03 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1hxm s SER 80 Cb -0.07 -0.55 0.02 0.00 -1.71 0.00 0.00 66.02 63.72 1hxm s SER 80 CO 0.01 0.31 -0.11 -0.89 1.20 0.00 0.00 173.24 173.76 1hxm s THR 81 N -0.74 1.20 -0.22 6.45 2.01 -1.13 -0.54 115.64 122.67 1hxm s THR 81 Ca 0.12 -0.43 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 1hxm s THR 81 Cb -0.10 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1hxm s THR 81 CO 0.01 0.39 0.48 -0.22 -0.69 0.00 0.00 174.62 174.60 1hxm s LEU 82 N 1.40 4.12 -0.20 4.42 2.96 0.58 -3.14 118.68 128.82 1hxm s LEU 82 Ca 0.00 0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 1hxm s LEU 82 Cb -0.13 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1hxm s LEU 82 CO -0.06 -0.18 0.06 -0.89 -1.32 0.00 0.00 176.35 173.95 1hxm s THR 83 N 1.75 4.57 -0.31 3.68 2.01 0.92 -0.60 115.64 127.66 1hxm s THR 83 Ca 0.22 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 1hxm s THR 83 Cb -0.15 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.34 1hxm s THR 83 CO 0.09 0.43 0.02 -0.63 -0.69 0.00 0.00 174.62 173.83 1hxm s ILE 84 N 0.74 2.96 0.53 1.82 1.01 0.14 -1.53 121.20 126.86 1hxm s ILE 84 Ca 0.03 -1.50 -0.13 0.00 0.00 0.00 0.00 60.65 59.05 1hxm s ILE 84 Cb -0.13 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 1hxm s ILE 84 CO 0.02 -0.18 0.95 -1.00 0.00 0.00 0.00 174.94 174.73 1hxm s HIS 85 N 1.22 3.52 -0.92 3.97 3.76 -0.34 -0.66 115.29 125.84 1hxm s HIS 85 Ca -0.03 1.30 -0.23 0.00 -0.15 0.00 0.00 55.06 55.94 1hxm s HIS 85 Cb -0.20 -2.68 0.03 0.00 1.11 0.00 0.00 32.58 30.84 1hxm s HIS 85 CO -0.02 -0.42 0.44 -1.71 -0.85 0.00 0.00 174.74 172.18 1hxm n ASN 86 N -1.95 -2.57 -4.60 1.40 5.15 -1.20 -4.80 115.26 106.69 1hxm n ASN 86 Ca 0.05 -0.97 -0.39 0.00 -0.60 0.00 0.00 54.58 52.67 1hxm n ASN 86 Cb 0.54 -1.16 0.03 0.00 -0.53 0.00 0.00 39.78 38.66 1hxm n ASN 86 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1hxm n VAL 87 N -3.96 2.91 -4.08 3.44 3.14 0.13 -4.65 118.33 115.25 1hxm n VAL 87 Ca -0.10 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.64 1hxm n VAL 87 Cb 0.42 -1.11 -0.04 0.00 -1.06 0.00 0.00 33.84 32.05 1hxm n VAL 87 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1hxm s GLU 88 N -2.32 1.86 0.22 1.45 -1.05 -1.26 -1.54 118.70 116.06 1hxm s GLU 88 Ca 0.69 -1.71 -0.09 0.00 -0.15 0.00 0.00 54.97 53.70 1hxm s GLU 88 Cb -0.48 0.44 0.33 0.00 -0.44 0.00 0.00 34.13 33.97 1hxm s GLU 88 CO 0.53 -0.77 1.69 0.87 0.95 0.00 0.00 175.26 178.53 1hxm h LYS 89 N 2.14 0.22 0.00 -4.83 1.79 -1.95 0.12 116.57 114.06 1hxm h LYS 89 Ca -0.28 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1hxm h LYS 89 Cb 1.24 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1hxm h LYS 89 CO 0.39 0.14 0.00 0.00 -1.08 0.00 0.00 179.45 178.90 1hxm n GLN 90 N -5.17 0.53 0.00 3.15 10.64 -1.26 -1.68 117.38 123.59 1hxm n GLN 90 Ca 0.10 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.38 1hxm n GLN 90 Cb 0.36 -1.24 0.02 0.00 -0.86 0.00 0.00 30.24 28.51 1hxm n GLN 90 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1hxm n ASP 91 N -0.74 2.27 -4.67 2.61 10.43 0.03 -4.89 116.55 121.59 1hxm n ASP 91 Ca 0.06 -1.63 -0.42 0.00 2.57 0.00 0.00 54.79 55.36 1hxm n ASP 91 Cb 0.03 0.36 -0.03 0.00 1.84 0.00 0.00 41.12 43.33 1hxm n ASP 91 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1hxm s ILE 92 N -2.36 3.79 0.00 0.53 1.01 -0.68 -4.84 121.20 118.65 1hxm s ILE 92 Ca 0.21 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1hxm s ILE 92 Cb 0.19 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1hxm s ILE 92 CO 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.38 1hxm n ALA 93 N 6.50 0.00 -2.72 9.38 0.00 -1.23 -4.21 120.51 128.22 1hxm n ALA 93 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.24 1hxm n ALA 93 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1hxm n ALA 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hxm s THR 94 N -2.00 5.38 -0.20 0.00 2.01 -0.56 -1.80 115.64 118.47 1hxm s THR 94 Ca 0.00 0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 1hxm s THR 94 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1hxm s THR 94 CO 0.00 0.41 0.05 -0.31 -0.69 0.00 0.00 174.62 174.08 1hxm s TYR 95 N 0.50 3.16 0.03 4.92 2.02 0.25 0.28 117.35 128.51 1hxm s TYR 95 Ca 0.10 -0.12 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 1hxm s TYR 95 Cb -0.12 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1hxm s TYR 95 CO 0.00 -0.02 -0.19 0.71 -1.57 0.00 0.00 175.55 174.48 1hxm s TYR 96 N 0.73 2.54 0.02 2.71 2.02 0.10 -0.87 117.35 124.61 1hxm s TYR 96 Ca 0.03 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.51 1hxm s TYR 96 Cb -0.14 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 1hxm s TYR 96 CO 0.02 0.22 -0.12 0.00 -1.57 0.00 0.00 175.55 174.10 1hxm s ALA 98 N -0.95 -0.75 0.19 0.00 0.00 -0.50 0.33 121.76 120.08 1hxm s ALA 98 Ca 0.16 -0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 1hxm s ALA 98 Cb -0.11 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1hxm s ALA 98 CO 0.06 -0.56 0.45 -0.48 0.00 0.00 0.00 175.76 175.23 1hxm s LEU 99 N -2.63 0.36 -0.23 0.00 2.34 -0.29 -0.07 118.68 118.16 1hxm s LEU 99 Ca 0.01 -0.61 -0.15 0.00 0.06 0.00 0.00 54.13 53.44 1hxm s LEU 99 Cb 0.02 1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 47.45 1hxm s LEU 99 CO -0.10 -1.01 0.39 0.26 -1.06 0.00 0.00 176.35 174.84 1hxm s TRP 100 N -3.91 3.32 -0.26 3.48 0.52 -1.26 0.50 118.94 121.34 1hxm s TRP 100 Ca 0.12 0.54 -0.13 0.00 0.02 0.00 0.00 56.10 56.65 1hxm s TRP 100 Cb 0.00 -2.54 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1hxm s TRP 100 CO -0.02 -0.09 0.28 -2.00 0.02 0.00 0.00 176.95 175.14 1hxm s GLU 101 N 1.60 4.02 0.20 4.98 2.12 0.96 -4.89 118.70 127.69 1hxm s GLU 101 Ca 0.17 -0.11 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 1hxm s GLU 101 Cb -0.15 -3.63 -0.10 0.00 0.26 0.00 0.00 34.13 30.51 1hxm s GLU 101 CO 0.08 -0.17 1.48 0.00 -0.54 0.00 0.00 175.26 176.11 1hxm s ALA 102 N 1.75 3.68 0.00 6.30 0.00 -1.26 -2.24 121.76 129.99 1hxm s ALA 102 Ca 0.12 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1hxm s ALA 102 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1hxm s ALA 102 CO 0.09 -0.74 0.00 1.04 0.00 0.00 0.00 175.76 176.16 1hxm n GLN 103 N 3.15 0.00 0.00 0.00 1.13 -1.00 -4.96 117.38 115.69 1hxm n GLN 103 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1hxm n GLN 103 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.75 1hxm n GLN 103 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1hxm n GLN 104 N 0.00 0.00 -2.01 -1.09 1.13 -1.26 -5.02 117.38 109.12 1hxm n GLN 104 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1hxm n GLN 104 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1hxm n GLN 104 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1hxm s GLU 105 N 0.00 4.25 -0.45 -1.09 1.03 -1.26 -4.85 118.70 116.33 1hxm s GLU 105 Ca 0.00 2.27 -0.40 0.00 0.03 0.00 0.00 54.97 56.87 1hxm s GLU 105 Cb 0.00 -3.17 -0.17 0.00 -0.80 0.00 0.00 34.13 29.99 1hxm s GLU 105 CO 0.00 -0.52 1.76 -0.11 -1.33 0.00 0.00 175.26 175.05 1hxm n LEU 106 N 3.66 0.81 0.00 1.83 7.94 -1.26 -1.64 117.00 128.34 1hxm n LEU 106 Ca 0.12 0.76 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 1hxm n LEU 106 Cb 0.40 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1hxm n LEU 106 CO 0.60 -0.71 0.00 0.61 -1.11 0.00 0.00 177.39 176.79 1hxm n GLY 107 N 5.68 3.27 3.58 -3.96 0.00 -1.26 -5.05 105.19 107.46 1hxm n GLY 107 Ca 0.42 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1hxm n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hxm s LYS 108 N 0.00 3.09 0.38 1.61 -0.14 -0.65 -4.95 119.74 119.07 1hxm s LYS 108 Ca 0.00 1.22 0.04 0.00 -1.36 0.00 0.00 55.97 55.87 1hxm s LYS 108 Cb 0.00 -4.27 -0.05 0.00 -1.68 0.00 0.00 37.83 31.83 1hxm s LYS 108 CO 0.00 -2.16 0.06 -1.59 -0.76 0.00 0.00 175.35 170.90 1hxm s LYS 109 N 6.15 1.83 -0.07 1.68 -2.85 -1.26 -2.39 119.74 122.83 1hxm s LYS 109 Ca 0.77 -2.06 -0.03 0.00 -1.00 0.00 0.00 55.97 53.65 1hxm s LYS 109 Cb -0.20 -1.05 0.04 0.00 -2.06 0.00 0.00 37.83 34.56 1hxm s LYS 109 CO 0.30 -0.24 0.16 0.42 0.10 0.00 0.00 175.35 176.09 1hxm s ILE 110 N -3.12 -0.04 -0.62 3.79 1.01 -0.95 -4.93 121.20 116.34 1hxm s ILE 110 Ca 0.30 0.16 -0.25 0.00 0.00 0.00 0.00 60.65 60.86 1hxm s ILE 110 Cb 0.07 -0.25 0.05 0.00 0.01 0.00 0.00 42.46 42.33 1hxm s ILE 110 CO 0.14 0.06 1.05 -0.75 0.00 0.00 0.00 174.94 175.45 1hxm s LYS 111 N 1.05 3.27 -0.01 2.79 2.47 -1.26 -0.03 119.74 128.01 1hxm s LYS 111 Ca -0.08 -0.34 -0.22 0.00 -1.56 0.00 0.00 55.97 53.76 1hxm s LYS 111 Cb -0.10 -4.12 -0.05 0.00 -1.46 0.00 0.00 37.83 32.10 1hxm s LYS 111 CO -0.05 -1.74 0.66 0.08 0.16 0.00 0.00 175.35 174.46 1hxm s VAL 112 N 4.48 4.91 0.14 4.02 1.01 0.18 -4.89 120.40 130.25 1hxm s VAL 112 Ca 0.31 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.73 1hxm s VAL 112 Cb -0.12 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1hxm s VAL 112 CO 0.17 0.36 -0.00 -0.36 0.00 0.00 0.00 175.10 175.27 1hxm s PHE 113 N 0.10 2.89 0.72 5.22 0.40 -1.26 -1.14 117.98 124.91 1hxm s PHE 113 Ca 0.34 -0.10 -0.07 0.00 -0.60 0.00 0.00 56.93 56.50 1hxm s PHE 113 Cb -0.19 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 41.97 1hxm s PHE 113 CO 0.19 0.50 1.04 0.20 0.70 0.00 0.00 175.22 177.84 1hxm s GLY 114 N -2.68 1.68 0.52 4.36 0.00 0.15 -4.56 107.32 106.79 1hxm s GLY 114 Ca 0.26 -0.90 0.30 0.00 0.00 0.00 0.00 44.72 44.39 1hxm s GLY 114 CO 0.18 -0.48 2.01 -0.56 0.00 0.00 0.00 173.10 174.25 1hxm h PRO 115 N -0.66 0.00 0.00 2.90 0.13 -1.89 -3.43 132.00 129.06 1hxm h PRO 115 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1hxm h PRO 115 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1hxm h PRO 115 CO 0.61 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 1hxm n GLY 116 N -0.27 2.25 3.04 1.56 0.00 -1.26 -5.02 105.19 105.49 1hxm n GLY 116 Ca -0.01 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 1hxm n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hxm s THR 117 N -2.30 1.10 -0.21 2.61 2.01 -0.05 -4.77 115.64 114.04 1hxm s THR 117 Ca 0.00 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 1hxm s THR 117 Cb 0.00 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1hxm s THR 117 CO 0.00 0.34 0.25 -0.54 -0.69 0.00 0.00 174.62 173.98 1hxm s LYS 118 N 0.42 4.14 -0.33 4.92 1.02 -0.84 -0.58 119.74 128.49 1hxm s LYS 118 Ca -0.10 -0.06 -0.18 0.00 0.02 0.00 0.00 55.97 55.66 1hxm s LYS 118 Cb -0.13 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1hxm s LYS 118 CO 0.03 0.08 0.50 -1.17 -0.92 0.00 0.00 175.35 173.86 1hxm s LEU 119 N 0.99 4.29 -0.17 3.17 2.96 -0.74 -0.02 118.68 129.16 1hxm s LEU 119 Ca 0.13 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1hxm s LEU 119 Cb -0.14 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 1hxm s LEU 119 CO 0.05 -0.43 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.00 1hxm s ILE 120 N 2.35 4.00 -0.27 6.68 1.01 0.31 -3.54 121.20 131.74 1hxm s ILE 120 Ca 0.19 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1hxm s ILE 120 Cb -0.16 -2.77 0.05 0.00 0.01 0.00 0.00 42.46 39.59 1hxm s ILE 120 CO 0.12 0.47 -0.07 -0.63 0.00 0.00 0.00 174.94 174.84 1hxm s ILE 121 N 0.51 2.57 0.31 2.92 -1.09 -1.26 -0.07 121.20 125.10 1hxm s ILE 121 Ca -0.02 -1.44 0.08 0.00 -2.23 0.00 0.00 60.65 57.04 1hxm s ILE 121 Cb -0.14 -2.46 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 1hxm s ILE 121 CO 0.02 -0.01 0.21 0.42 -1.23 0.00 0.00 174.94 174.35 1hxm s THR 122 N 1.19 3.59 -0.24 2.92 -4.23 -0.71 -4.95 115.64 113.21 1hxm s THR 122 Ca -0.06 -1.51 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1hxm s THR 122 Cb -0.19 -3.15 -0.17 0.00 1.34 0.00 0.00 72.50 70.34 1hxm s THR 122 CO -0.04 -0.23 -0.16 0.47 -0.54 0.00 0.00 174.62 174.13 1hxm n ASP 123 N -1.23 1.98 -4.50 3.99 9.92 -1.26 -3.25 116.55 122.19 1hxm n ASP 123 Ca -0.04 0.14 -0.43 0.00 -0.53 0.00 0.00 54.79 53.93 1hxm n ASP 123 Cb 0.60 -0.68 -0.08 0.00 -0.64 0.00 0.00 41.12 40.32 1hxm n ASP 123 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1hxm s LYS 124 N -2.50 3.20 -0.31 -1.24 2.47 -1.26 -4.80 119.74 115.29 1hxm s LYS 124 Ca -0.34 -0.59 -0.28 0.00 -1.56 0.00 0.00 55.97 53.20 1hxm s LYS 124 Cb 0.11 -3.95 -0.04 0.00 -1.46 0.00 0.00 37.83 32.49 1hxm s LYS 124 CO 0.58 -0.89 2.06 -1.14 0.16 0.00 0.00 175.35 176.12 1hxm s GLN 125 N 2.38 3.07 0.84 4.03 0.74 -1.26 -4.95 119.66 124.51 1hxm s GLN 125 Ca 0.16 1.66 -0.10 0.00 0.05 0.00 0.00 55.36 57.13 1hxm s GLN 125 Cb -0.16 -4.33 0.10 0.00 1.10 0.00 0.00 33.01 29.72 1hxm s GLN 125 CO 0.15 -2.17 1.12 -0.48 -0.55 0.00 0.00 175.29 173.36 1hxm s LEU 126 N 8.24 2.95 0.00 3.68 -0.00 -1.26 -4.96 118.68 127.33 1hxm s LEU 126 Ca 0.91 2.01 0.00 0.00 -0.00 0.00 0.00 54.13 57.05 1hxm s LEU 126 Cb -0.26 -4.55 0.00 0.00 -0.00 0.00 0.00 46.19 41.38 1hxm s LEU 126 CO 0.33 -2.56 0.00 -0.67 -0.00 0.00 0.00 176.35 173.44 1hxm n ASP 127 N -3.85 1.36 -4.29 1.48 4.64 -1.26 -5.11 116.55 109.52 1hxm n ASP 127 Ca 0.11 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 53.18 1hxm n ASP 127 Cb 0.52 0.18 0.14 0.00 -1.04 0.00 0.00 41.12 40.93 1hxm n ASP 127 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1hxm n ALA 128 N -0.73 -3.88 -2.23 -1.67 0.00 -1.26 -4.85 120.51 105.89 1hxm n ALA 128 Ca 0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 53.44 51.94 1hxm n ALA 128 Cb 0.09 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1hxm n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hxm s ASP 129 N -1.80 6.83 0.00 0.00 3.68 -1.26 -4.86 116.67 119.25 1hxm s ASP 129 Ca 0.54 2.00 0.00 0.00 2.13 0.00 0.00 52.55 57.23 1hxm s ASP 129 Cb -0.13 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 1hxm s ASP 129 CO 0.67 -0.79 0.57 0.52 0.13 0.00 0.00 175.17 176.27 1hxm n VAL 130 N 5.15 0.15 -1.84 1.11 0.31 -1.26 -4.94 118.33 117.01 1hxm n VAL 130 Ca 0.15 -0.57 -0.39 0.00 -0.01 0.00 0.00 64.34 63.52 1hxm n VAL 130 Cb 0.44 0.93 0.03 0.00 -0.91 0.00 0.00 33.84 34.33 1hxm n VAL 130 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1hxm s SER 131 N -0.15 5.57 0.24 4.52 1.04 -1.25 -2.84 113.70 120.83 1hxm s SER 131 Ca 0.00 2.76 -0.31 0.00 0.48 0.00 0.00 55.95 58.89 1hxm s SER 131 Cb 0.00 -2.64 -0.11 0.00 0.10 0.00 0.00 66.02 63.37 1hxm s SER 131 CO 0.00 -1.37 1.59 -2.84 0.98 0.00 0.00 173.24 171.60 1hxm s PRO 132 N -2.72 4.17 -0.27 4.02 0.02 -1.26 -4.44 135.00 134.51 1hxm s PRO 132 Ca 0.67 2.49 -0.12 0.00 0.02 0.00 0.00 61.00 64.06 1hxm s PRO 132 Cb -0.40 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 1hxm s PRO 132 CO 0.49 -0.61 0.24 0.15 -0.33 0.00 0.00 177.00 176.93 1hxm s LYS 133 N 0.18 3.97 0.67 5.54 -0.14 -0.48 -4.87 119.74 124.62 1hxm s LYS 133 Ca 0.66 -0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 54.94 1hxm s LYS 133 Cb -0.46 -3.65 -0.00 0.00 -1.68 0.00 0.00 37.83 32.03 1hxm s LYS 133 CO 0.41 -0.19 1.07 -1.25 -0.76 0.00 0.00 175.35 174.63 1hxm s PRO 134 N 1.80 3.10 -0.26 -1.68 0.04 -1.26 -1.81 135.00 134.93 1hxm s PRO 134 Ca 0.09 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 61.59 1hxm s PRO 134 Cb -0.16 -2.05 0.12 0.00 0.04 0.00 0.00 34.50 32.46 1hxm s PRO 134 CO 0.10 -0.88 0.55 0.99 0.04 0.00 0.00 177.00 177.81 1hxm s THR 135 N -3.29 -0.85 0.31 1.26 2.01 -0.40 -4.94 115.64 109.74 1hxm s THR 135 Ca 0.57 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 1hxm s THR 135 Cb -0.11 -0.87 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 1hxm s THR 135 CO 0.52 0.02 0.93 -0.63 -0.69 0.00 0.00 174.62 174.77 1hxm s ILE 136 N 2.77 4.22 -0.20 1.82 -1.09 -1.26 -1.74 121.20 125.73 1hxm s ILE 136 Ca -0.01 1.82 -0.04 0.00 -2.23 0.00 0.00 60.65 60.19 1hxm s ILE 136 Cb -0.12 -4.03 0.07 0.00 -1.58 0.00 0.00 42.46 36.79 1hxm s ILE 136 CO -0.17 0.18 0.07 -0.36 -1.23 0.00 0.00 174.94 173.44 1hxm s PHE 137 N -1.57 0.55 0.26 3.97 0.08 -0.89 -4.99 117.98 115.40 1hxm s PHE 137 Ca 0.49 -0.61 -0.12 0.00 0.12 0.00 0.00 56.93 56.81 1hxm s PHE 137 Cb -0.19 -0.87 -0.08 0.00 -0.57 0.00 0.00 43.02 41.31 1hxm s PHE 137 CO 0.24 -0.59 0.63 -0.51 -0.10 0.00 0.00 175.22 174.89 1hxm s LEU 138 N 2.02 4.14 0.91 -0.37 1.43 -1.26 -2.34 118.68 123.20 1hxm s LEU 138 Ca 0.02 1.09 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 1hxm s LEU 138 Cb -0.16 -3.83 0.02 0.00 0.03 0.00 0.00 46.19 42.25 1hxm s LEU 138 CO -0.12 -0.12 0.40 -2.65 0.23 0.00 0.00 176.35 174.09 1hxm n PRO 139 N -0.17 -0.17 -3.00 1.29 -0.02 -1.22 -4.95 135.00 126.76 1hxm n PRO 139 Ca 0.01 -0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 61.09 1hxm n PRO 139 Cb 0.53 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 1hxm n PRO 139 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1hxm s SER 140 N -1.89 7.25 0.20 2.55 1.04 -1.26 -4.94 113.70 116.64 1hxm s SER 140 Ca 0.58 1.49 -0.19 0.00 0.48 0.00 0.00 55.95 58.31 1hxm s SER 140 Cb -0.23 -2.47 0.17 0.00 0.10 0.00 0.00 66.02 63.59 1hxm s SER 140 CO 0.66 0.08 1.59 0.40 0.98 0.00 0.00 173.24 176.95 1hxm h ILE 141 N 3.88 0.17 -0.88 -1.02 2.04 -1.99 0.61 117.51 120.31 1hxm h ILE 141 Ca -0.45 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.65 1hxm h ILE 141 Cb 1.21 0.17 -0.14 0.00 -0.74 0.00 0.00 36.82 37.31 1hxm h ILE 141 CO 0.69 0.00 0.26 0.00 0.00 0.00 0.00 178.15 179.10 1hxm h ALA 142 N 1.18 1.31 -0.71 1.87 0.00 -1.99 -0.09 119.26 120.83 1hxm h ALA 142 Ca 0.27 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.45 1hxm h ALA 142 Cb 0.55 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1hxm h ALA 142 CO -0.73 -0.46 0.47 1.49 0.00 0.00 0.00 179.25 180.02 1hxm h GLU 143 N 0.22 0.78 0.00 0.00 4.81 -1.19 -0.82 114.58 118.38 1hxm h GLU 143 Ca 0.56 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1hxm h GLU 143 Cb 1.13 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1hxm h GLU 143 CO -0.64 0.51 0.00 2.41 -0.73 0.00 0.00 179.01 180.56 1hxm n THR 144 N -4.47 1.61 0.30 0.32 -1.04 -0.05 0.35 114.28 111.30 1hxm n THR 144 Ca 0.10 0.40 0.09 0.00 -2.04 0.00 0.00 64.05 62.60 1hxm n THR 144 Cb 0.18 -1.33 0.15 0.00 -1.82 0.00 0.00 70.33 67.51 1hxm n THR 144 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1hxm n LYS 145 N -1.46 2.10 0.00 -2.82 4.01 -0.32 -3.53 118.16 116.14 1hxm n LYS 145 Ca 0.01 -1.96 0.00 0.00 -0.51 0.00 0.00 58.31 55.86 1hxm n LYS 145 Cb 0.04 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 1hxm n LYS 145 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1hxm n LEU 146 N 1.10 0.00 -1.20 -0.35 7.94 0.16 -4.49 117.00 120.16 1hxm n LEU 146 Ca 0.14 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 55.08 1hxm n LEU 146 Cb 0.50 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.66 1hxm n LEU 146 CO 0.12 0.00 0.59 1.67 -1.11 0.00 0.00 177.39 178.66 1hxm n GLN 147 N 0.00 2.99 -3.57 1.96 0.00 -1.25 -4.81 117.38 112.69 1hxm n GLN 147 Ca 0.00 -1.66 -0.26 0.00 -0.00 0.00 0.00 57.00 55.07 1hxm n GLN 147 Cb 0.00 -1.86 0.03 0.00 0.00 0.00 0.00 30.24 28.41 1hxm n GLN 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1hxm n LYS 148 N 0.36 -5.56 -4.42 3.69 5.02 -1.23 -4.54 118.16 111.48 1hxm n LYS 148 Ca 0.15 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.82 1hxm n LYS 148 Cb 0.72 -5.58 -0.05 0.00 -0.02 0.00 0.00 35.03 30.10 1hxm n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hxm n ALA 149 N -4.33 0.55 -3.10 7.82 0.00 -1.25 -3.01 120.51 117.19 1hxm n ALA 149 Ca -0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 53.44 51.06 1hxm n ALA 149 Cb 0.55 1.15 -0.11 0.00 0.00 0.00 0.00 19.45 21.04 1hxm n ALA 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1hxm s GLY 150 N -3.92 -0.03 -0.19 0.00 0.00 -0.83 -2.86 107.32 99.48 1hxm s GLY 150 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1hxm s GLY 150 CO 0.06 -0.00 -0.09 -1.59 0.00 0.00 0.00 173.10 171.48 1hxm s THR 151 N -0.86 1.51 0.41 0.90 2.01 -1.26 0.30 115.64 118.65 1hxm s THR 151 Ca -0.09 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 1hxm s THR 151 Cb -0.05 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1hxm s THR 151 CO 0.01 0.16 0.73 -0.31 -0.69 0.00 0.00 174.62 174.52 1hxm s TYR 152 N 1.46 3.51 -0.18 4.92 2.02 0.14 -3.46 117.35 125.77 1hxm s TYR 152 Ca -0.01 0.84 -0.05 0.00 -0.37 0.00 0.00 57.07 57.48 1hxm s TYR 152 Cb -0.16 -2.29 0.09 0.00 -0.40 0.00 0.00 41.96 39.20 1hxm s TYR 152 CO -0.08 -0.11 0.32 -1.17 -1.57 0.00 0.00 175.55 172.93 1hxm s LEU 153 N -4.19 -0.43 -0.16 -1.29 2.96 -0.99 -0.98 118.68 113.59 1hxm s LEU 153 Ca 0.48 0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 54.88 1hxm s LEU 153 Cb -0.10 0.92 -0.03 0.00 0.50 0.00 0.00 46.19 47.47 1hxm s LEU 153 CO 0.37 -0.26 -0.00 0.00 -1.32 0.00 0.00 176.35 175.14 1hxm s LEU 155 N 0.36 3.66 -0.18 0.00 2.96 -0.71 -1.82 118.68 122.94 1hxm s LEU 155 Ca -0.02 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1hxm s LEU 155 Cb -0.14 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1hxm s LEU 155 CO 0.02 0.06 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.21 1hxm s LEU 156 N 1.03 2.42 0.17 -0.68 1.43 -0.09 -1.27 118.68 121.70 1hxm s LEU 156 Ca 0.04 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1hxm s LEU 156 Cb -0.14 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1hxm s LEU 156 CO 0.03 0.02 0.09 -1.83 0.23 0.00 0.00 176.35 174.89 1hxm s GLU 157 N 1.20 1.09 -1.21 1.70 -1.05 -0.75 -0.25 118.70 119.44 1hxm s GLU 157 Ca 0.02 -1.55 -0.00 0.00 -0.15 0.00 0.00 54.97 53.29 1hxm s GLU 157 Cb -0.14 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1hxm s GLU 157 CO -0.07 -0.32 0.03 1.63 0.95 0.00 0.00 175.26 177.48 1hxm n LYS 158 N -0.20 -1.29 -4.05 -4.83 5.02 -0.42 -1.39 118.16 111.00 1hxm n LYS 158 Ca -0.02 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.65 1hxm n LYS 158 Cb 0.65 -4.98 -0.06 0.00 -0.02 0.00 0.00 35.03 30.62 1hxm n LYS 158 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1hxm s PHE 159 N -2.73 3.24 -0.02 2.13 -0.71 -0.99 -4.51 117.98 114.39 1hxm s PHE 159 Ca 0.01 0.12 -0.02 0.00 -1.04 0.00 0.00 56.93 56.01 1hxm s PHE 159 Cb -0.01 -1.66 -0.01 0.00 -1.21 0.00 0.00 43.02 40.14 1hxm s PHE 159 CO 0.02 0.53 -0.03 0.34 -1.34 0.00 0.00 175.22 174.74 1hxm n PHE 160 N 0.59 0.13 -0.33 3.49 -0.00 -1.13 -0.44 117.46 119.77 1hxm n PHE 160 Ca -0.09 0.06 0.32 0.00 -0.00 0.00 0.00 57.45 57.74 1hxm n PHE 160 Cb 0.52 -0.30 0.50 0.00 -0.00 0.00 0.00 39.48 40.20 1hxm n PHE 160 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1hxm n PRO 161 N -2.63 0.01 0.00 -7.13 -0.02 -1.26 -4.63 135.00 119.33 1hxm n PRO 161 Ca -0.01 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1hxm n PRO 161 Cb 0.04 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1hxm n PRO 161 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1hxm n ASP 162 N -3.27 0.00 -4.60 2.55 3.85 -1.26 -4.92 116.55 108.89 1hxm n ASP 162 Ca 0.27 0.00 -0.43 0.00 -0.71 0.00 0.00 54.79 53.92 1hxm n ASP 162 Cb 1.54 -0.22 -0.03 0.00 -1.35 0.00 0.00 41.12 41.06 1hxm n ASP 162 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1hxm s VAL 163 N -1.32 4.49 0.10 2.12 1.01 -1.26 -4.99 120.40 120.54 1hxm s VAL 163 Ca 0.00 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 1hxm s VAL 163 Cb 0.00 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1hxm s VAL 163 CO 0.00 -0.65 0.12 -0.51 0.00 0.00 0.00 175.10 174.06 1hxm s ILE 164 N 3.72 0.15 -0.05 2.22 2.07 -1.26 -4.55 121.20 123.50 1hxm s ILE 164 Ca 0.41 -1.52 -0.02 0.00 -1.41 0.00 0.00 60.65 58.11 1hxm s ILE 164 Cb -0.11 -1.59 0.04 0.00 0.13 0.00 0.00 42.46 40.93 1hxm s ILE 164 CO 0.21 -0.66 0.09 -0.75 -1.91 0.00 0.00 174.94 171.92 1hxm s LYS 165 N -3.93 -0.02 -0.06 3.50 2.47 -0.97 -5.02 119.74 115.72 1hxm s LYS 165 Ca 0.11 0.39 0.04 0.00 -1.56 0.00 0.00 55.97 54.94 1hxm s LYS 165 Cb 0.06 -0.35 0.00 0.00 -1.46 0.00 0.00 37.83 36.08 1hxm s LYS 165 CO -0.07 -0.27 -0.18 0.42 0.16 0.00 0.00 175.35 175.42 1hxm s ILE 166 N 1.85 1.50 0.15 5.43 1.01 -1.26 -1.01 121.20 128.87 1hxm s ILE 166 Ca -0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1hxm s ILE 166 Cb -0.12 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1hxm s ILE 166 CO -0.04 0.43 0.31 -1.38 0.00 0.00 0.00 174.94 174.26 1hxm s HIS 167 N 0.24 0.24 0.33 3.97 -3.43 -1.04 -5.02 115.29 110.58 1hxm s HIS 167 Ca -0.09 -0.61 0.09 0.00 -0.80 0.00 0.00 55.06 53.64 1hxm s HIS 167 Cb -0.14 0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 30.99 1hxm s HIS 167 CO 0.04 -0.71 0.06 -1.58 -2.00 0.00 0.00 174.74 170.55 1hxm s TRP 168 N -3.92 2.63 0.00 0.38 0.52 -1.26 -1.50 118.94 115.79 1hxm s TRP 168 Ca 0.13 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.86 1hxm s TRP 168 Cb 0.03 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.83 1hxm s TRP 168 CO -0.03 0.44 0.00 0.39 0.02 0.00 0.00 176.95 177.76 1hxm n GLU 169 N -1.03 0.00 0.00 4.98 1.02 -0.68 -3.36 120.64 121.57 1hxm n GLU 169 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1hxm n GLU 169 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 1hxm n GLU 169 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1hxm n GLU 170 N 0.00 0.00 0.00 3.49 -0.58 -1.26 -3.76 120.64 118.53 1hxm n GLU 170 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1hxm n GLU 170 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1hxm n GLU 170 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1hxm n LYS 171 N -0.23 0.00 0.11 3.49 3.00 -1.26 -4.05 118.16 119.22 1hxm n LYS 171 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1hxm n LYS 171 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 35.03 35.47 1hxm n LYS 171 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1hxm n LYS 172 N 0.00 0.22 -0.72 1.64 4.76 -1.26 -2.42 118.16 120.38 1hxm n LYS 172 Ca 0.00 0.28 0.06 0.00 -2.87 0.00 0.00 58.31 55.78 1hxm n LYS 172 Cb 0.00 -1.81 0.18 0.00 -1.84 0.00 0.00 35.03 31.56 1hxm n LYS 172 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1hxm n SER 173 N -2.21 1.62 -4.51 4.39 3.41 -1.26 -5.04 113.62 110.01 1hxm n SER 173 Ca 0.04 -3.62 -0.20 0.00 -0.26 0.00 0.00 58.87 54.84 1hxm n SER 173 Cb 0.35 -0.49 -0.19 0.00 -0.26 0.00 0.00 64.21 63.62 1hxm n SER 173 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1hxm n ASN 174 N -0.89 -0.72 -4.04 4.04 6.94 -1.02 -4.54 115.26 115.03 1hxm n ASN 174 Ca 0.17 -0.76 -0.15 0.00 -0.02 0.00 0.00 54.58 53.81 1hxm n ASN 174 Cb 0.75 -0.79 -0.13 0.00 -2.36 0.00 0.00 39.78 37.25 1hxm n ASN 174 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1hxm s THR 175 N 3.42 0.59 0.37 5.53 -4.23 -1.26 -4.89 115.64 115.17 1hxm s THR 175 Ca 1.23 -0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 60.74 1hxm s THR 175 Cb -0.69 -0.58 -0.10 0.00 1.34 0.00 0.00 72.50 72.47 1hxm s THR 175 CO 0.46 -0.11 1.38 -0.63 -0.54 0.00 0.00 174.62 175.18 1hxm s ILE 176 N -0.78 2.41 0.00 2.99 1.01 -1.26 -4.31 121.20 121.26 1hxm s ILE 176 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1hxm s ILE 176 Cb -0.06 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1hxm s ILE 176 CO 0.00 0.09 0.00 0.18 0.00 0.00 0.00 174.94 175.21 1hxm n LEU 177 N 0.51 0.00 -2.92 2.97 4.32 -1.21 -5.03 117.00 115.64 1hxm n LEU 177 Ca 0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.89 1hxm n LEU 177 Cb 0.41 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.20 1hxm n LEU 177 CO 0.60 0.00 0.01 0.61 -1.22 0.00 0.00 177.39 177.40 1hxm n GLY 178 N 5.00 0.33 4.01 -0.72 0.00 -1.26 -5.04 105.19 107.52 1hxm n GLY 178 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1hxm n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hxm s SER 179 N 0.11 4.94 0.11 1.61 1.04 -1.26 -4.91 113.70 115.33 1hxm s SER 179 Ca 0.31 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.79 1hxm s SER 179 Cb 0.06 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1hxm s SER 179 CO -0.12 -1.37 -0.11 -1.10 0.98 0.00 0.00 173.24 171.52 1hxm s GLN 180 N -4.63 0.91 0.11 4.02 -0.21 -1.04 -5.03 119.66 113.78 1hxm s GLN 180 Ca 0.56 -1.22 -0.04 0.00 0.02 0.00 0.00 55.36 54.68 1hxm s GLN 180 Cb -0.05 -0.61 -0.02 0.00 1.00 0.00 0.00 33.01 33.33 1hxm s GLN 180 CO 0.36 0.10 0.12 -1.83 -2.12 0.00 0.00 175.29 171.91 1hxm s GLU 181 N -2.92 0.88 0.58 2.91 -1.05 -1.26 -1.19 118.70 116.65 1hxm s GLU 181 Ca 0.08 -1.22 0.04 0.00 -0.15 0.00 0.00 54.97 53.72 1hxm s GLU 181 Cb -0.02 0.29 0.07 0.00 -0.44 0.00 0.00 34.13 34.02 1hxm s GLU 181 CO 0.01 -0.26 0.81 0.20 0.95 0.00 0.00 175.26 176.96 1hxm s GLY 182 N -2.96 1.81 0.53 -3.83 0.00 -0.88 -5.02 107.32 96.96 1hxm s GLY 182 Ca 0.14 -1.71 -0.20 0.00 0.00 0.00 0.00 44.72 42.95 1hxm s GLY 182 CO -0.04 -1.32 1.12 -1.31 0.00 0.00 0.00 173.10 171.55 1hxm s ASN 183 N -4.56 5.83 0.17 1.64 0.01 -1.26 -4.63 114.94 112.13 1hxm s ASN 183 Ca 0.61 2.15 -0.30 0.00 -0.71 0.00 0.00 52.86 54.60 1hxm s ASN 183 Cb -0.08 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 38.92 1hxm s ASN 183 CO 0.39 -1.14 1.28 -0.89 -1.51 0.00 0.00 177.10 175.24 1hxm s THR 184 N -1.79 3.40 -0.01 1.60 2.01 -1.26 -4.77 115.64 114.82 1hxm s THR 184 Ca 0.72 1.11 0.04 0.00 0.31 0.00 0.00 61.69 63.87 1hxm s THR 184 Cb -0.23 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1hxm s THR 184 CO 0.26 0.15 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.90 1hxm s MET 185 N 0.20 2.44 0.24 4.92 1.75 0.41 -4.94 119.30 124.33 1hxm s MET 185 Ca 0.57 -0.76 -0.19 0.00 -1.25 0.00 0.00 55.69 54.06 1hxm s MET 185 Cb -0.35 -2.40 -0.08 0.00 2.84 0.00 0.00 34.83 34.84 1hxm s MET 185 CO 0.35 0.60 0.74 0.21 -0.65 0.00 0.00 175.02 176.27 1hxm s LYS 186 N -1.14 4.23 -0.43 4.11 2.20 -1.26 -0.26 119.74 127.20 1hxm s LYS 186 Ca 0.14 0.87 0.06 0.00 -0.36 0.00 0.00 55.97 56.67 1hxm s LYS 186 Cb -0.11 -2.80 0.20 0.00 -1.51 0.00 0.00 37.83 33.61 1hxm s LYS 186 CO 0.04 0.35 0.49 0.25 -0.36 0.00 0.00 175.35 176.12 1hxm n THR 187 N 0.54 -0.80 -2.85 3.43 -2.24 0.44 -4.90 114.28 107.89 1hxm n THR 187 Ca -0.01 -3.00 -0.08 0.00 -2.27 0.00 0.00 64.05 58.69 1hxm n THR 187 Cb 0.51 -1.03 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 1hxm n THR 187 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hxm n ASN 188 N 2.42 -7.90 -4.42 3.42 3.02 -1.26 -3.66 115.26 106.88 1hxm n ASN 188 Ca 0.24 0.66 -0.38 0.00 -0.03 0.00 0.00 54.58 55.07 1hxm n ASN 188 Cb 0.52 -5.26 -0.07 0.00 -0.61 0.00 0.00 39.78 34.35 1hxm n ASN 188 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1hxm n ASP 189 N -0.13 -1.29 -3.55 6.41 5.68 -1.26 -4.90 116.55 117.52 1hxm n ASP 189 Ca 0.09 -1.21 -0.09 0.00 -0.50 0.00 0.00 54.79 53.08 1hxm n ASP 189 Cb 0.40 -1.84 -0.04 0.00 -1.14 0.00 0.00 41.12 38.50 1hxm n ASP 189 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1hxm s THR 190 N -3.57 0.00 0.32 2.12 -1.32 -1.24 -4.91 115.64 107.04 1hxm s THR 190 Ca 0.58 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.11 1hxm s THR 190 Cb -0.33 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.59 1hxm s THR 190 CO 1.00 0.00 0.01 -0.31 -2.21 0.00 0.00 174.62 173.11 1hxm s TYR 191 N -1.97 2.03 0.09 9.09 2.02 0.41 0.16 117.35 129.19 1hxm s TYR 191 Ca 0.02 -0.82 -0.01 0.00 -0.37 0.00 0.00 57.07 55.89 1hxm s TYR 191 Cb -0.01 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1hxm s TYR 191 CO -0.03 0.17 0.01 0.00 -1.57 0.00 0.00 175.55 174.13 1hxm s MET 192 N -3.80 0.77 -0.14 -0.62 0.23 0.64 -1.31 119.30 115.07 1hxm s MET 192 Ca 0.33 -1.33 -0.30 0.00 -1.03 0.00 0.00 55.69 53.36 1hxm s MET 192 Cb 0.07 0.19 0.11 0.00 -1.53 0.00 0.00 34.83 33.67 1hxm s MET 192 CO 0.14 -0.17 0.91 0.21 -2.03 0.00 0.00 175.02 174.08 1hxm s LYS 193 N -3.97 0.71 0.04 3.16 2.20 0.66 -0.44 119.74 122.10 1hxm s LYS 193 Ca 0.15 0.23 0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1hxm s LYS 193 Cb 0.08 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.71 1hxm s LYS 193 CO -0.04 -0.21 -0.09 -0.59 -0.36 0.00 0.00 175.35 174.06 1hxm s PHE 194 N -0.98 0.76 0.01 4.03 -0.12 -1.26 -0.91 117.98 119.51 1hxm s PHE 194 Ca -0.04 -0.47 0.04 0.00 -0.05 0.00 0.00 56.93 56.41 1hxm s PHE 194 Cb -0.01 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.92 1hxm s PHE 194 CO 0.03 -0.05 -0.12 0.45 -0.05 0.00 0.00 175.22 175.48 1hxm s SER 195 N -1.53 1.38 0.05 1.98 0.15 -0.76 -2.08 113.70 112.89 1hxm s SER 195 Ca -0.08 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.29 1hxm s SER 195 Cb -0.10 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.07 1hxm s SER 195 CO 0.01 0.08 -0.09 -1.66 1.20 0.00 0.00 173.24 172.78 1hxm s TRP 196 N -0.52 0.80 -0.02 3.44 -2.14 -0.34 -0.95 118.94 119.20 1hxm s TRP 196 Ca 0.02 -0.51 0.01 0.00 2.66 0.00 0.00 56.10 58.29 1hxm s TRP 196 Cb -0.06 -0.47 0.01 0.00 -3.10 0.00 0.00 33.47 29.86 1hxm s TRP 196 CO 0.00 -0.06 -0.03 -1.17 -2.66 0.00 0.00 176.95 173.04 1hxm s LEU 197 N -1.68 1.53 -0.41 -4.66 2.96 -0.15 -2.51 118.68 113.77 1hxm s LEU 197 Ca -0.07 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1hxm s LEU 197 Cb -0.09 -0.29 0.07 0.00 0.50 0.00 0.00 46.19 46.38 1hxm s LEU 197 CO 0.01 -0.03 0.24 -0.89 -1.32 0.00 0.00 176.35 174.36 1hxm s THR 198 N 0.56 4.27 0.04 3.68 2.01 -1.26 0.28 115.64 125.22 1hxm s THR 198 Ca -0.06 -1.29 -0.26 0.00 0.31 0.00 0.00 61.69 60.39 1hxm s THR 198 Cb -0.09 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1hxm s THR 198 CO -0.01 -0.44 0.80 0.68 -0.69 0.00 0.00 174.62 174.96 1hxm s VAL 199 N 1.45 4.75 0.94 3.82 -7.23 0.15 -4.87 120.40 119.40 1hxm s VAL 199 Ca 0.03 1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 61.78 1hxm s VAL 199 Cb -0.22 -4.15 0.16 0.00 0.56 0.00 0.00 36.38 32.72 1hxm s VAL 199 CO 0.03 0.33 1.09 -2.84 -0.31 0.00 0.00 175.10 173.39 1hxm s PRO 200 N 0.15 0.86 0.20 4.82 0.02 -1.26 -1.96 135.00 137.82 1hxm s PRO 200 Ca 0.41 0.88 -0.11 0.00 0.02 0.00 0.00 61.00 62.20 1hxm s PRO 200 Cb -0.21 -1.76 0.26 0.00 0.02 0.00 0.00 34.50 32.81 1hxm s PRO 200 CO 0.24 -2.53 1.22 -1.91 -0.33 0.00 0.00 177.00 173.68 1hxm n GLU 201 N -4.09 -0.14 0.03 5.54 4.07 -1.17 -2.48 120.64 122.41 1hxm n GLU 201 Ca 0.07 1.21 -0.03 0.00 -0.06 0.00 0.00 57.16 58.35 1hxm n GLU 201 Cb 0.55 -1.80 -0.02 0.00 -0.06 0.00 0.00 31.44 30.11 1hxm n GLU 201 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1hxm h LYS 202 N 0.00 -0.15 0.00 5.31 1.63 -1.91 -3.15 116.57 118.30 1hxm h LYS 202 Ca 0.31 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1hxm h LYS 202 Cb 0.51 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1hxm h LYS 202 CO -0.79 -0.10 0.05 0.43 -3.45 0.00 0.00 179.45 175.59 1hxm n SER 203 N -2.94 0.00 -0.26 4.20 7.64 -1.03 -3.68 113.62 117.54 1hxm n SER 203 Ca -0.02 0.16 0.18 0.00 1.01 0.00 0.00 58.87 60.21 1hxm n SER 203 Cb 0.08 -0.16 0.48 0.00 -1.01 0.00 0.00 64.21 63.60 1hxm n SER 203 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1hxm h LEU 204 N 0.00 0.47 -0.27 -3.43 4.07 -1.58 -2.10 115.31 112.47 1hxm h LEU 204 Ca 0.00 0.05 -0.20 0.00 0.08 0.00 0.00 57.88 57.81 1hxm h LEU 204 Cb 0.09 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1hxm h LEU 204 CO 0.00 0.18 -0.88 -2.24 -1.08 0.00 0.00 178.44 174.42 1hxm h ASP 205 N 0.47 0.29 -3.14 -0.43 3.04 -1.77 -3.12 116.42 111.75 1hxm h ASP 205 Ca 0.49 -0.24 -0.40 0.00 -3.24 0.00 0.00 57.03 53.64 1hxm h ASP 205 Cb 1.14 -0.09 0.21 0.00 -1.04 0.00 0.00 39.33 39.55 1hxm h ASP 205 CO -0.21 1.04 -0.06 -0.54 -2.04 0.00 0.00 179.24 177.43 1hxm s LYS 206 N -3.22 -2.12 0.21 4.15 1.02 -0.79 -4.46 119.74 114.53 1hxm s LYS 206 Ca -0.03 0.37 0.07 0.00 0.02 0.00 0.00 55.97 56.40 1hxm s LYS 206 Cb 0.10 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1hxm s LYS 206 CO 0.83 -4.40 0.06 -2.00 -0.92 0.00 0.00 175.35 168.93 1hxm s GLU 207 N -4.86 2.58 0.08 1.68 2.12 -1.26 -4.03 118.70 115.01 1hxm s GLU 207 Ca 0.69 -1.12 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1hxm s GLU 207 Cb -0.17 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 1hxm s GLU 207 CO 0.60 0.43 -0.06 -1.01 -0.54 0.00 0.00 175.26 174.68 1hxm s HIS 208 N -1.94 0.77 -0.01 5.30 3.76 -1.02 -4.57 115.29 117.58 1hxm s HIS 208 Ca 0.30 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1hxm s HIS 208 Cb -0.09 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.14 1hxm s HIS 208 CO 0.21 -0.19 -0.04 1.03 -0.85 0.00 0.00 174.74 174.90 1hxm s ARG 209 N -3.49 0.39 -0.41 1.40 0.52 -1.25 -0.62 118.95 115.50 1hxm s ARG 209 Ca 0.07 -0.14 -0.15 0.00 -0.52 0.00 0.00 55.73 54.99 1hxm s ARG 209 Cb 0.03 -0.40 0.02 0.00 0.52 0.00 0.00 34.95 35.13 1hxm s ARG 209 CO -0.05 0.07 0.31 0.00 0.02 0.00 0.00 175.30 175.65 1hxm s ILE 211 N 1.73 4.78 -0.19 0.00 1.01 -0.56 0.35 121.20 128.31 1hxm s ILE 211 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 1hxm s ILE 211 Cb -0.19 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1hxm s ILE 211 CO 0.10 0.23 -0.01 -0.69 0.00 0.00 0.00 174.94 174.58 1hxm s VAL 212 N 1.67 3.90 -0.29 2.92 1.01 0.36 -2.49 120.40 127.49 1hxm s VAL 212 Ca 0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1hxm s VAL 212 Cb -0.16 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1hxm s VAL 212 CO 0.07 0.44 0.08 -0.60 0.00 0.00 0.00 175.10 175.09 1hxm s ARG 213 N 0.87 3.15 -0.02 2.72 6.06 -0.18 -0.04 118.95 131.50 1hxm s ARG 213 Ca 0.00 -0.82 -0.06 0.00 -2.50 0.00 0.00 55.73 52.35 1hxm s ARG 213 Cb -0.14 -3.36 0.01 0.00 0.06 0.00 0.00 34.95 31.51 1hxm s ARG 213 CO 0.02 -0.42 0.14 -1.58 -2.50 0.00 0.00 175.30 170.96 1hxm s HIS 214 N 1.51 -0.04 0.47 5.12 2.46 -1.26 -2.29 115.29 121.25 1hxm s HIS 214 Ca 0.03 0.08 0.22 0.00 0.47 0.00 0.00 55.06 55.86 1hxm s HIS 214 Cb -0.17 -0.01 1.23 0.00 -0.13 0.00 0.00 32.58 33.50 1hxm s HIS 214 CO 0.02 -0.20 1.91 1.49 -2.47 0.00 0.00 174.74 175.50 1hxm h GLU 215 N 4.95 0.22 -0.28 2.88 4.81 -1.85 -2.86 114.58 122.46 1hxm h GLU 215 Ca -0.28 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 1hxm h GLU 215 Cb 1.20 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1hxm h GLU 215 CO 0.41 0.15 -0.01 0.09 -0.73 0.00 0.00 179.01 178.91 1hxm n ASN 216 N -4.42 3.37 -4.67 1.04 3.02 -1.26 -4.85 115.26 107.48 1hxm n ASN 216 Ca 0.16 -3.26 -0.32 0.00 -0.03 0.00 0.00 54.58 51.13 1hxm n ASN 216 Cb 0.69 -0.57 0.15 0.00 -0.61 0.00 0.00 39.78 39.44 1hxm n ASN 216 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hxm n ASN 217 N -0.77 0.54 -4.76 6.41 3.02 -1.08 -3.81 115.26 114.81 1hxm n ASN 217 Ca 0.25 0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 54.87 1hxm n ASN 217 Cb 0.93 -1.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.61 1hxm n ASN 217 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1hxm n LYS 218 N -3.82 2.70 -0.76 3.52 4.76 -1.26 -1.72 118.16 121.58 1hxm n LYS 218 Ca 0.12 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 1hxm n LYS 218 Cb 0.51 -2.72 0.00 0.00 -1.84 0.00 0.00 35.03 30.98 1hxm n LYS 218 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1hxm n ASN 219 N 1.54 0.00 -0.54 4.39 3.02 -1.26 -3.39 115.26 119.02 1hxm n ASN 219 Ca 0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.54 1hxm n ASN 219 Cb 0.38 -1.18 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 1hxm n ASN 219 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hxm n GLY 220 N -2.00 0.88 3.44 7.41 0.00 -0.70 -5.03 105.19 109.19 1hxm n GLY 220 Ca 0.00 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1hxm n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hxm s VAL 221 N -2.26 2.27 0.45 1.61 -7.23 -1.22 -4.96 120.40 109.06 1hxm s VAL 221 Ca 0.00 -2.35 -0.23 0.00 -1.81 0.00 0.00 61.98 57.60 1hxm s VAL 221 Cb 0.00 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 1hxm s VAL 221 CO 0.00 -0.43 0.84 0.47 -0.31 0.00 0.00 175.10 175.67 1hxm n ASP 222 N -0.57 0.44 -4.69 4.85 9.92 -1.26 -4.65 116.55 120.58 1hxm n ASP 222 Ca -0.06 0.96 -0.37 0.00 -0.53 0.00 0.00 54.79 54.79 1hxm n ASP 222 Cb 0.60 -1.27 -0.08 0.00 -0.64 0.00 0.00 41.12 39.73 1hxm n ASP 222 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1hxm s GLN 223 N -1.96 4.19 -0.36 -1.24 0.74 0.94 -4.93 119.66 117.03 1hxm s GLN 223 Ca 0.65 0.07 -0.08 0.00 0.05 0.00 0.00 55.36 56.05 1hxm s GLN 223 Cb -0.55 -3.49 0.04 0.00 1.10 0.00 0.00 33.01 30.11 1hxm s GLN 223 CO 0.56 0.09 0.15 -2.00 -0.55 0.00 0.00 175.29 173.54 1hxm s GLU 224 N 0.93 2.64 -0.27 1.67 2.12 -1.26 -0.48 118.70 124.05 1hxm s GLU 224 Ca 0.16 -1.22 -0.16 0.00 0.36 0.00 0.00 54.97 54.11 1hxm s GLU 224 Cb -0.14 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1hxm s GLU 224 CO 0.06 -0.73 0.41 0.42 -0.54 0.00 0.00 175.26 174.87 1hxm s ILE 225 N 1.43 5.15 -0.24 -3.70 1.01 0.15 -4.95 121.20 120.06 1hxm s ILE 225 Ca 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 60.65 61.04 1hxm s ILE 225 Cb -0.20 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 1hxm s ILE 225 CO 0.03 0.13 0.73 -0.63 0.00 0.00 0.00 174.94 175.20 1hxm s ILE 226 N 2.13 4.92 -0.32 2.92 1.01 -1.26 -0.37 121.20 130.22 1hxm s ILE 226 Ca 0.16 1.35 -0.08 0.00 0.00 0.00 0.00 60.65 62.08 1hxm s ILE 226 Cb -0.16 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1hxm s ILE 226 CO 0.10 -0.01 0.13 -0.36 0.00 0.00 0.00 174.94 174.80 1hxm s PHE 227 N 2.55 3.19 0.99 3.97 0.08 0.21 -4.99 117.98 123.99 1hxm s PHE 227 Ca 0.31 -0.90 -0.16 0.00 0.12 0.00 0.00 56.93 56.30 1hxm s PHE 227 Cb -0.15 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 1hxm s PHE 227 CO 0.08 -0.57 -0.16 -2.30 -0.10 0.00 0.00 175.22 172.17 1hxm n PRO 228 N 4.92 -0.39 0.00 0.24 -0.02 -1.26 -2.43 135.00 136.07 1hxm n PRO 228 Ca -0.13 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1hxm n PRO 228 Cb 0.48 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1hxm n PRO 228 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1hxm n PRO 229 N -0.22 0.00 -0.43 0.52 -0.04 -1.26 -4.56 135.00 129.01 1hxm n PRO 229 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1hxm n PRO 229 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1hxm n PRO 229 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57