#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s ASP 1 N 0.00 5.54 -0.20 6.12 1.01 -1.26 -4.97 116.67 122.92 3hye s ASP 1 Ca 0.00 1.12 -0.21 0.00 0.71 0.00 0.00 52.55 54.17 3hye s ASP 1 Cb 0.00 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 3hye s ASP 1 CO 0.00 -1.27 0.66 -0.63 0.21 0.00 0.00 175.17 174.14 3hye s ILE 2 N -3.31 5.00 -0.21 0.77 1.09 -1.26 -4.88 121.20 118.40 3hye s ILE 2 Ca 0.57 1.25 -0.01 0.00 -1.10 0.00 0.00 60.65 61.36 3hye s ILE 2 Cb -0.11 -3.97 0.06 0.00 -1.06 0.00 0.00 42.46 37.38 3hye s ILE 2 CO 0.51 0.10 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.81 3hye s ILE 3 N 1.97 1.03 0.10 2.92 -1.09 -1.26 -1.35 121.20 123.51 3hye s ILE 3 Ca 0.30 -0.89 0.07 0.00 -2.23 0.00 0.00 60.65 57.90 3hye s ILE 3 Cb -0.16 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.27 3hye s ILE 3 CO 0.11 -0.15 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.72 3hye s LEU 4 N 1.62 2.30 -0.14 2.97 1.43 0.31 -2.94 118.68 124.24 3hye s LEU 4 Ca -0.03 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 3hye s LEU 4 Cb -0.18 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.34 3hye s LEU 4 CO -0.07 -0.00 0.38 -0.83 0.23 0.00 0.00 176.35 176.06 3hye s GLY 5 N -1.91 -0.29 -0.01 -3.19 0.00 -0.61 -0.89 107.32 100.42 3hye s GLY 5 Ca 0.04 1.09 -0.00 0.00 0.00 0.00 0.00 44.72 45.85 3hye s GLY 5 CO 0.04 0.95 0.01 -1.50 0.00 0.00 0.00 173.10 172.60 3hye s ILE 6 N 0.24 -0.02 -0.34 0.90 2.07 0.21 -1.26 121.20 123.01 3hye s ILE 6 Ca -0.00 0.07 -0.08 0.00 -1.41 0.00 0.00 60.65 59.23 3hye s ILE 6 Cb -0.03 -0.04 0.03 0.00 0.13 0.00 0.00 42.46 42.55 3hye s ILE 6 CO 0.00 0.03 0.13 -0.60 -1.91 0.00 0.00 174.94 172.59 3hye s ARG 7 N 0.35 2.75 0.00 3.50 3.52 0.37 0.26 118.95 129.71 3hye s ARG 7 Ca -0.03 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.47 3hye s ARG 7 Cb -0.04 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 3hye s ARG 7 CO -0.01 -0.64 0.00 1.33 -0.81 0.00 0.00 175.30 175.17 3hye n VAL 8 N 4.87 0.00 -0.10 7.11 0.24 -0.18 -4.84 118.33 125.43 3hye n VAL 8 Ca -0.13 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 3hye n VAL 8 Cb 0.46 -0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 31.84 3hye n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 3hye h GLN 9 N 0.00 -0.32 0.00 7.34 5.75 -1.24 -3.30 115.11 123.34 3hye h GLN 9 Ca 0.00 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3hye h GLN 9 Cb 0.00 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3hye h GLN 9 CO 0.00 -0.21 -0.23 -0.25 -2.65 0.00 0.00 178.83 175.49 3hye n ASP 10 N -5.42 1.62 -3.75 -0.69 8.00 -1.26 -4.62 116.55 110.43 3hye n ASP 10 Ca -0.01 -2.85 -0.06 0.00 0.71 0.00 0.00 54.79 52.59 3hye n ASP 10 Cb 0.35 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 3hye n ASP 10 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hye s SER 11 N -2.40 -0.25 -0.07 -2.24 1.04 -1.25 -4.42 113.70 104.12 3hye s SER 11 Ca 0.25 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.31 3hye s SER 11 Cb 0.22 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.91 3hye s SER 11 CO 0.00 -1.03 -0.23 -0.69 0.98 0.00 0.00 173.24 172.27 3hye s VAL 12 N -3.51 1.92 -0.11 5.02 1.01 -0.41 -1.01 120.40 123.31 3hye s VAL 12 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3hye s VAL 12 Cb -0.03 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3hye s VAL 12 CO 0.02 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 3hye s ILE 13 N 0.10 2.59 -0.10 2.22 1.01 0.14 -0.95 121.20 126.20 3hye s ILE 13 Ca -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.74 3hye s ILE 13 Cb -0.15 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 3hye s ILE 13 CO 0.05 0.54 -0.18 -0.76 0.00 0.00 0.00 174.94 174.60 3hye s LEU 14 N 0.28 2.45 -0.10 2.97 1.43 -0.68 -0.62 118.68 124.41 3hye s LEU 14 Ca -0.13 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3hye s LEU 14 Cb -0.16 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3hye s LEU 14 CO 0.07 0.19 -0.20 0.00 0.23 0.00 0.00 176.35 176.64 3hye s ALA 15 N 0.17 1.93 -0.03 4.21 0.00 -0.06 -1.20 121.76 126.79 3hye s ALA 15 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3hye s ALA 15 Cb -0.16 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.19 3hye s ALA 15 CO 0.06 0.16 -0.01 -1.12 0.00 0.00 0.00 175.76 174.85 3hye s SER 16 N 0.56 0.46 0.64 0.00 0.01 -0.68 -0.53 113.70 114.17 3hye s SER 16 Ca -0.15 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 56.89 3hye s SER 16 Cb -0.17 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 3hye s SER 16 CO 0.05 -0.07 1.00 -1.54 0.41 0.00 0.00 173.24 173.09 3hye n SER 17 N 3.92 0.82 0.00 2.44 3.41 -0.46 -1.02 113.62 122.74 3hye n SER 17 Ca -0.25 0.77 0.10 0.00 -0.26 0.00 0.00 58.87 59.23 3hye n SER 17 Cb 0.52 -1.41 -0.07 0.00 -0.26 0.00 0.00 64.21 62.98 3hye n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hye n LYS 18 N -1.36 0.12 -2.69 4.33 5.02 -0.54 -4.63 118.16 118.41 3hye n LYS 18 Ca 0.14 -0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 3hye n LYS 18 Cb 0.48 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 3hye n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hye s ALA 19 N -3.09 3.04 -0.25 7.82 0.00 -0.72 -0.60 121.76 127.96 3hye s ALA 19 Ca 0.06 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 3hye s ALA 19 Cb 0.16 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.15 3hye s ALA 19 CO 0.85 -0.03 0.07 0.08 0.00 0.00 0.00 175.76 176.73 3hye s VAL 20 N -1.92 0.59 -0.17 0.00 1.01 -0.09 -4.90 120.40 114.91 3hye s VAL 20 Ca 0.60 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 3hye s VAL 20 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3hye s VAL 20 CO 0.19 -0.45 0.06 -0.89 0.00 0.00 0.00 175.10 174.01 3hye s THR 21 N 1.79 4.77 -0.34 3.92 2.01 -1.26 -0.66 115.64 125.87 3hye s THR 21 Ca 0.04 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.02 3hye s THR 21 Cb -0.17 -3.14 0.10 0.00 0.01 0.00 0.00 72.50 69.31 3hye s THR 21 CO -0.18 0.48 0.08 -0.13 -0.69 0.00 0.00 174.62 174.18 3hye s ARG 22 N 0.22 1.21 6.44 4.92 1.81 -0.18 -4.94 118.95 128.43 3hye s ARG 22 Ca 0.04 -1.62 0.00 0.00 -1.72 0.00 0.00 55.73 52.43 3hye s ARG 22 Cb -0.12 -2.72 0.00 0.00 -0.45 0.00 0.00 34.95 31.65 3hye s ARG 22 CO 0.00 -0.97 0.00 0.41 -0.68 0.00 0.00 175.30 174.06 3hye n GLY 23 N 4.39 1.84 0.10 -3.53 0.00 -1.26 -3.01 105.19 103.73 3hye n GLY 23 Ca 0.02 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3hye n GLY 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hye h ILE 24 N 0.00 0.00 -3.53 -0.61 6.09 -2.03 -3.48 117.51 113.95 3hye h ILE 24 Ca 0.00 -0.80 -0.65 0.00 -1.37 0.00 0.00 64.86 62.04 3hye h ILE 24 Cb 0.00 1.35 -0.20 0.00 0.47 0.00 0.00 36.82 38.44 3hye h ILE 24 CO 0.00 0.00 -0.84 -0.44 -3.07 0.00 0.00 178.15 173.80 3hye s SER 25 N -4.96 3.28 -0.53 2.19 0.01 -1.16 -5.08 113.70 107.44 3hye s SER 25 Ca 0.02 -0.81 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 3hye s SER 25 Cb 0.11 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.17 3hye s SER 25 CO 0.76 0.13 0.74 -0.69 0.41 0.00 0.00 173.24 174.59 3hye s VAL 26 N -1.42 4.70 0.18 3.43 1.01 -1.26 -1.01 120.40 126.02 3hye s VAL 26 Ca 0.17 -0.30 0.15 0.00 0.00 0.00 0.00 61.98 62.00 3hye s VAL 26 Cb -0.09 -4.40 0.06 0.00 0.00 0.00 0.00 36.38 31.95 3hye s VAL 26 CO 0.08 -0.96 1.65 -0.07 0.00 0.00 0.00 175.10 175.80 3hye h LEU 27 N 10.19 0.00 -7.30 3.92 3.38 -1.25 -3.46 115.31 120.79 3hye h LEU 27 Ca -0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3hye h LEU 27 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 3hye h LEU 27 CO 1.02 0.50 -0.12 -0.75 0.09 0.00 0.00 178.44 179.18 3hye s LYS 28 N -3.51 0.73 -0.10 1.13 2.20 -1.16 -4.99 119.74 114.03 3hye s LYS 28 Ca -0.00 0.21 0.17 0.00 -0.36 0.00 0.00 55.97 55.99 3hye s LYS 28 Cb 0.11 0.34 0.38 0.00 -1.51 0.00 0.00 37.83 37.15 3hye s LYS 28 CO 0.72 -0.18 1.18 -0.40 -0.36 0.00 0.00 175.35 176.31 3hye n ASP 29 N 1.72 1.34 -1.28 1.43 3.85 -1.25 -0.92 116.55 121.45 3hye n ASP 29 Ca -0.18 -2.91 0.02 0.00 -0.71 0.00 0.00 54.79 51.00 3hye n ASP 29 Cb 0.56 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 3hye n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hye n SER 30 N -0.41 0.57 -4.70 -1.12 3.41 -0.99 -4.64 113.62 105.74 3hye n SER 30 Ca 0.12 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.33 3hye n SER 30 Cb 0.87 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 3hye n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hye s ASP 31 N -1.68 7.19 -0.54 4.04 -1.08 0.23 -5.00 116.67 119.83 3hye s ASP 31 Ca 0.24 1.79 -0.16 0.00 -0.52 0.00 0.00 52.55 53.90 3hye s ASP 31 Cb 0.28 -2.57 0.13 0.00 -1.46 0.00 0.00 42.92 39.29 3hye s ASP 31 CO -0.12 -0.42 0.51 -0.62 0.52 0.00 0.00 175.17 175.04 3hye s ASP 32 N 1.13 6.19 -0.91 -0.34 3.68 -1.26 -4.26 116.67 120.90 3hye s ASP 32 Ca 0.54 -1.74 -0.07 0.00 2.13 0.00 0.00 52.55 53.41 3hye s ASP 32 Cb -0.24 -2.22 -0.09 0.00 -1.45 0.00 0.00 42.92 38.92 3hye s ASP 32 CO 0.26 -0.87 3.05 0.29 0.13 0.00 0.00 175.17 178.03 3hye n LYS 33 N 5.34 3.15 -3.83 4.34 5.02 -1.26 -4.85 118.16 126.06 3hye n LYS 33 Ca -0.14 -2.06 -0.10 0.00 -2.02 0.00 0.00 58.31 54.00 3hye n LYS 33 Cb 0.40 -2.43 -0.07 0.00 -0.02 0.00 0.00 35.03 32.91 3hye n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3hye s THR 34 N 0.64 0.12 -0.07 -0.18 -1.32 -1.26 -2.34 115.64 111.24 3hye s THR 34 Ca 0.65 -1.02 -0.04 0.00 -1.21 0.00 0.00 61.69 60.07 3hye s THR 34 Cb 0.25 -1.18 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 3hye s THR 34 CO -0.07 -0.57 0.17 -0.13 -2.21 0.00 0.00 174.62 171.81 3hye s ARG 35 N -3.40 0.13 -0.21 7.08 1.81 -0.43 -5.01 118.95 118.91 3hye s ARG 35 Ca 0.01 0.38 -0.27 0.00 -1.72 0.00 0.00 55.73 54.13 3hye s ARG 35 Cb 0.03 -0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.40 3hye s ARG 35 CO -0.09 -0.14 0.94 -1.14 -0.68 0.00 0.00 175.30 174.19 3hye s GLN 36 N 1.02 4.26 0.10 3.54 0.74 -1.26 -1.78 119.66 126.29 3hye s GLN 36 Ca -0.08 1.18 0.16 0.00 0.05 0.00 0.00 55.36 56.67 3hye s GLN 36 Cb -0.10 -3.62 -0.10 0.00 1.10 0.00 0.00 33.01 30.29 3hye s GLN 36 CO -0.05 -0.50 0.97 -0.07 -0.55 0.00 0.00 175.29 175.08 3hye h LEU 37 N 8.99 0.00 -7.40 3.68 3.38 -1.39 -3.47 115.31 119.10 3hye h LEU 37 Ca -0.23 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.89 3hye h LEU 37 Cb 1.09 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 3hye h LEU 37 CO 0.91 0.61 0.50 -0.94 0.09 0.00 0.00 178.44 179.61 3hye s SER 38 N -5.99 -0.24 0.50 -0.43 1.04 -1.14 -4.24 113.70 103.19 3hye s SER 38 Ca -0.01 -0.24 0.33 0.00 0.48 0.00 0.00 55.95 56.50 3hye s SER 38 Cb 0.08 0.44 1.45 0.00 0.10 0.00 0.00 66.02 68.10 3hye s SER 38 CO 0.80 -0.78 1.77 1.55 0.98 0.00 0.00 173.24 177.56 3hye h PRO 39 N 2.00 0.09 -0.09 4.02 0.13 -2.00 -1.76 132.00 134.39 3hye h PRO 39 Ca -0.24 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hye h PRO 39 Cb 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hye h PRO 39 CO 0.28 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 178.83 3hye n HIS 40 N -4.30 0.31 -3.89 1.56 8.25 -1.26 -3.69 115.22 112.20 3hye n HIS 40 Ca 0.28 -0.92 -0.20 0.00 -0.26 0.00 0.00 57.72 56.61 3hye n HIS 40 Cb 1.23 -0.19 -0.17 0.00 1.12 0.00 0.00 29.99 31.97 3hye n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3hye s THR 41 N -2.70 0.30 0.00 1.59 2.01 -0.66 -0.69 115.64 115.50 3hye s THR 41 Ca 0.33 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.50 3hye s THR 41 Cb 0.28 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 3hye s THR 41 CO 0.05 0.21 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.73 3hye s LEU 42 N 1.49 2.09 -0.08 4.42 2.96 0.13 -0.91 118.68 128.78 3hye s LEU 42 Ca -0.03 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3hye s LEU 42 Cb -0.13 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.38 3hye s LEU 42 CO -0.03 0.27 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.82 3hye s MET 43 N -0.77 1.86 0.19 1.98 -2.45 -0.73 -0.14 119.30 119.24 3hye s MET 43 Ca 0.09 -0.45 0.06 0.00 -1.25 0.00 0.00 55.69 54.14 3hye s MET 43 Cb -0.09 -1.57 -0.04 0.00 1.25 0.00 0.00 34.83 34.38 3hye s MET 43 CO 0.00 -0.01 0.14 -1.54 1.05 0.00 0.00 175.02 174.66 3hye s SER 44 N 0.81 5.43 0.04 1.11 1.04 -0.36 -1.32 113.70 120.45 3hye s SER 44 Ca -0.11 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 3hye s SER 44 Cb -0.15 -1.38 0.04 0.00 0.10 0.00 0.00 66.02 64.63 3hye s SER 44 CO 0.02 0.04 0.44 0.72 0.98 0.00 0.00 173.24 175.44 3hye s PHE 45 N -1.87 -0.30 -0.09 5.02 -0.12 -0.99 -1.68 117.98 117.96 3hye s PHE 45 Ca 0.31 0.29 -0.17 0.00 -0.05 0.00 0.00 56.93 57.31 3hye s PHE 45 Cb -0.09 0.25 0.04 0.00 -0.63 0.00 0.00 43.02 42.58 3hye s PHE 45 CO 0.23 -0.59 0.42 0.00 -0.05 0.00 0.00 175.22 175.24 3hye s ALA 46 N -2.44 -1.06 0.00 1.99 0.00 -0.62 -4.88 121.76 114.75 3hye s ALA 46 Ca -0.05 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3hye s ALA 46 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3hye s ALA 46 CO -0.02 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3hye n GLY 47 N 1.91 -0.33 3.73 0.00 0.00 -1.26 -0.80 105.19 108.43 3hye n GLY 47 Ca -0.18 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3hye n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hye s GLU 48 N -2.00 4.16 0.02 1.61 2.56 -0.04 -4.88 118.70 120.13 3hye s GLU 48 Ca 0.00 2.52 -0.04 0.00 0.00 0.00 0.00 54.97 57.45 3hye s GLU 48 Cb 0.00 -3.08 -0.01 0.00 2.00 0.00 0.00 34.13 33.04 3hye s GLU 48 CO 0.00 -0.66 0.44 0.00 -0.56 0.00 0.00 175.26 174.48 3hye n ALA 49 N 3.40 -0.08 0.01 6.30 0.00 -1.26 -1.99 120.51 126.88 3hye n ALA 49 Ca 0.13 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 3hye n ALA 49 Cb 0.37 0.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 3hye n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hye h GLY 50 N 0.00 0.11 0.81 0.00 0.00 -1.99 -3.37 103.07 98.63 3hye h GLY 50 Ca 0.02 -0.28 0.10 0.00 0.00 0.00 0.00 47.33 47.17 3hye h GLY 50 CO -0.12 0.25 0.53 -0.55 0.00 0.00 0.00 176.54 176.65 3hye h ASP 51 N 0.03 0.69 0.07 0.19 3.32 -1.86 -2.93 116.42 115.93 3hye h ASP 51 Ca -0.27 0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.81 3hye h ASP 51 Cb 1.99 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 41.37 3hye h ASP 51 CO 0.10 0.41 -0.52 0.00 -1.72 0.00 0.00 179.24 177.51 3hye h THR 52 N 0.76 0.00 -0.11 0.35 1.03 -1.56 0.70 112.91 114.08 3hye h THR 52 Ca 0.38 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 66.55 3hye h THR 52 Cb 0.44 0.00 0.01 0.00 -1.07 0.00 0.00 68.15 67.53 3hye h THR 52 CO -0.15 0.00 -0.81 0.58 -0.01 0.00 0.00 175.52 175.13 3hye h VAL 53 N -0.70 1.30 -0.97 0.00 2.07 -1.79 -2.58 116.25 113.58 3hye h VAL 53 Ca 0.00 -2.07 0.06 0.00 0.82 0.00 0.00 66.70 65.51 3hye h VAL 53 Cb 0.72 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 3hye h VAL 53 CO -0.31 0.64 0.63 1.56 0.02 0.00 0.00 177.57 180.12 3hye h GLN 54 N 0.45 1.12 0.04 1.57 1.08 -1.40 0.59 115.11 118.55 3hye h GLN 54 Ca -0.06 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 3hye h GLN 54 Cb 1.43 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3hye h GLN 54 CO 0.16 0.74 -0.02 0.35 -0.95 0.00 0.00 178.83 179.11 3hye h PHE 55 N 1.15 -0.04 -0.36 2.96 3.04 -0.83 -1.83 116.94 121.03 3hye h PHE 55 Ca 0.41 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.43 3hye h PHE 55 Cb 0.13 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 3hye h PHE 55 CO -0.00 0.44 -0.08 0.00 -2.02 0.00 0.00 178.31 176.65 3hye h ALA 56 N 0.38 0.26 -0.11 2.41 0.00 -1.03 -0.10 119.26 121.07 3hye h ALA 56 Ca -0.00 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3hye h ALA 56 Cb 0.51 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3hye h ALA 56 CO 0.01 -0.45 -0.34 0.93 0.00 0.00 0.00 179.25 179.40 3hye h GLU 57 N 0.01 0.23 -0.35 0.00 5.08 -0.95 -0.14 114.58 118.46 3hye h GLU 57 Ca 0.18 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3hye h GLU 57 Cb 0.27 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3hye h GLU 57 CO -0.36 0.54 0.04 -0.92 -1.00 0.00 0.00 179.01 177.31 3hye h TYR 58 N 0.20 0.63 -0.39 4.33 3.20 -0.41 0.01 116.97 124.53 3hye h TYR 58 Ca 0.02 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 3hye h TYR 58 Cb 0.70 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3hye h TYR 58 CO 0.01 0.66 0.04 0.82 -1.64 0.00 0.00 178.16 178.05 3hye h ILE 59 N 0.42 1.25 -0.50 1.81 1.08 -0.75 -2.26 117.51 118.56 3hye h ILE 59 Ca 0.10 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 3hye h ILE 59 Cb 0.38 1.08 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 3hye h ILE 59 CO 0.01 0.32 0.23 -0.61 -0.69 0.00 0.00 178.15 177.40 3hye h GLN 60 N 0.51 0.43 -0.50 2.37 4.15 -0.86 -0.85 115.11 120.36 3hye h GLN 60 Ca 0.12 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.55 3hye h GLN 60 Cb 0.42 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 3hye h GLN 60 CO 0.01 0.29 0.27 0.00 -1.93 0.00 0.00 178.83 177.47 3hye h ALA 61 N 1.29 0.63 -0.71 3.38 0.00 -0.79 -1.37 119.26 121.70 3hye h ALA 61 Ca 0.23 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 61 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hye h ALA 61 CO -0.19 -0.06 0.18 -0.91 0.00 0.00 0.00 179.25 178.27 3hye h ASN 62 N 0.53 1.07 -0.35 0.00 4.21 -0.77 -1.36 115.58 118.90 3hye h ASN 62 Ca 0.21 -0.23 -0.12 0.00 1.21 0.00 0.00 56.30 57.37 3hye h ASN 62 Cb 0.09 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 3hye h ASN 62 CO -0.13 1.02 -0.25 0.40 -1.29 0.00 0.00 177.43 177.18 3hye h ILE 63 N 1.06 1.29 -0.66 2.81 1.08 -0.87 -1.85 117.51 120.36 3hye h ILE 63 Ca 0.22 -1.40 -0.02 0.00 -0.39 0.00 0.00 64.86 63.27 3hye h ILE 63 Cb 0.37 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 3hye h ILE 63 CO 0.00 0.46 0.33 1.56 -0.69 0.00 0.00 178.15 179.81 3hye h GLN 64 N 0.58 0.93 -0.45 2.37 4.20 -1.14 -0.24 115.11 121.36 3hye h GLN 64 Ca 0.07 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3hye h GLN 64 Cb 0.81 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3hye h GLN 64 CO 0.07 0.71 0.13 1.25 -0.67 0.00 0.00 178.83 180.31 3hye h LEU 65 N 0.93 0.68 -0.56 1.46 5.85 -1.06 -2.04 115.31 120.57 3hye h LEU 65 Ca 0.23 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3hye h LEU 65 Cb 0.07 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3hye h LEU 65 CO -0.03 0.72 0.27 0.22 -0.34 0.00 0.00 178.44 179.28 3hye h TYR 66 N 0.60 0.81 -0.58 1.25 3.20 -0.62 -1.11 116.97 120.52 3hye h TYR 66 Ca 0.14 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3hye h TYR 66 Cb 0.30 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 3hye h TYR 66 CO 0.02 0.62 0.31 0.77 -1.64 0.00 0.00 178.16 178.24 3hye h SER 67 N 0.76 0.45 -0.23 -2.11 0.02 -0.85 -0.98 113.55 110.61 3hye h SER 67 Ca 0.19 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3hye h SER 67 Cb 0.12 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hye h SER 67 CO -0.02 0.30 -0.00 0.40 -1.14 0.00 0.00 176.83 176.36 3hye h ILE 68 N 0.58 1.26 -0.97 3.27 1.08 -1.09 0.46 117.51 122.10 3hye h ILE 68 Ca 0.26 -0.90 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3hye h ILE 68 Cb 0.15 1.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.25 3hye h ILE 68 CO -0.17 0.28 0.61 -0.09 -0.69 0.00 0.00 178.15 178.09 3hye h ARG 69 N 0.17 1.30 -0.01 2.37 2.43 -0.86 -3.13 114.38 116.66 3hye h ARG 69 Ca 0.06 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hye h ARG 69 Cb 0.41 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hye h ARG 69 CO 0.01 0.89 -0.53 0.39 -1.51 0.00 0.00 179.97 179.22 3hye n GLU 70 N -4.37 1.29 -3.99 0.20 4.71 -0.40 -4.97 120.64 113.11 3hye n GLU 70 Ca 0.11 -0.68 -0.27 0.00 -0.01 0.00 0.00 57.16 56.31 3hye n GLU 70 Cb 0.04 -1.38 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 3hye n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3hye n ASP 71 N -0.42 -0.96 -3.64 1.62 4.64 0.16 -4.94 116.55 113.01 3hye n ASP 71 Ca 0.07 -0.99 -0.13 0.00 -1.38 0.00 0.00 54.79 52.36 3hye n ASP 71 Cb 0.38 -3.07 -0.06 0.00 -1.04 0.00 0.00 41.12 37.33 3hye n ASP 71 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3hye s TYR 72 N -3.83 -0.31 -0.29 -0.67 5.04 -1.11 -5.06 117.35 111.13 3hye s TYR 72 Ca 0.14 0.29 -0.07 0.00 -2.44 0.00 0.00 57.07 54.99 3hye s TYR 72 Cb -0.08 0.25 -0.00 0.00 0.35 0.00 0.00 41.96 42.48 3hye s TYR 72 CO 0.89 -0.59 0.09 -2.00 -1.34 0.00 0.00 175.55 172.60 3hye s GLU 73 N -2.48 3.25 0.50 4.97 2.12 -1.26 -4.18 118.70 121.62 3hye s GLU 73 Ca -0.05 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.30 3hye s GLU 73 Cb -0.01 -3.39 -0.07 0.00 0.26 0.00 0.00 34.13 30.93 3hye s GLU 73 CO -0.02 -0.38 1.25 1.28 -0.54 0.00 0.00 175.26 176.84 3hye n LEU 74 N 4.90 4.55 -4.75 2.70 4.77 -1.26 -4.95 117.00 122.96 3hye n LEU 74 Ca -0.15 1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 56.49 3hye n LEU 74 Cb 0.49 -1.51 0.06 0.00 -2.33 0.00 0.00 43.42 40.13 3hye n LEU 74 CO 0.32 -0.85 0.78 -0.94 -1.33 0.00 0.00 177.39 175.36 3hye s SER 75 N -0.82 4.87 0.32 -1.43 1.04 -1.26 -4.78 113.70 111.65 3hye s SER 75 Ca 0.68 2.19 0.06 0.00 0.48 0.00 0.00 55.95 59.36 3hye s SER 75 Cb -0.46 -2.57 0.73 0.00 0.10 0.00 0.00 66.02 63.82 3hye s SER 75 CO 0.52 -1.80 1.84 -0.65 0.98 0.00 0.00 173.24 174.13 3hye h PRO 76 N 0.16 0.77 -0.64 4.02 0.11 -1.92 -0.10 132.00 134.39 3hye h PRO 76 Ca -0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3hye h PRO 76 Cb 1.27 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3hye h PRO 76 CO 0.53 0.51 0.21 0.37 -0.21 0.00 0.00 178.00 179.41 3hye h GLN 77 N 0.79 1.00 -0.58 1.05 -0.00 -1.98 -1.04 115.11 114.35 3hye h GLN 77 Ca 0.50 -0.21 -0.06 0.00 -0.00 0.00 0.00 58.65 58.87 3hye h GLN 77 Cb 0.71 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 3hye h GLN 77 CO -0.26 0.87 0.12 0.00 0.00 0.00 0.00 178.83 179.56 3hye h ALA 78 N 1.08 0.76 -0.64 3.38 0.00 -1.43 -1.88 119.26 120.53 3hye h ALA 78 Ca 0.21 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3hye h ALA 78 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hye h ALA 78 CO -0.01 0.49 0.10 0.28 0.00 0.00 0.00 179.25 180.11 3hye h VAL 79 N 0.84 1.26 -0.39 0.00 2.07 -0.90 -1.95 116.25 117.17 3hye h VAL 79 Ca 0.18 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 3hye h VAL 79 Cb 0.38 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3hye h VAL 79 CO 0.01 0.39 -0.20 0.77 0.02 0.00 0.00 177.57 178.56 3hye h SER 80 N 0.98 0.76 -0.45 0.57 4.64 -1.04 -1.40 113.55 117.61 3hye h SER 80 Ca 0.19 -0.26 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 3hye h SER 80 Cb 0.45 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3hye h SER 80 CO 0.01 0.95 -0.06 0.28 -0.87 0.00 0.00 176.83 177.14 3hye h SER 81 N 0.67 0.88 -0.37 4.97 0.02 -1.15 0.17 113.55 118.74 3hye h SER 81 Ca 0.10 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 3hye h SER 81 Cb 0.69 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3hye h SER 81 CO 0.05 0.98 0.16 0.15 -1.14 0.00 0.00 176.83 177.03 3hye h PHE 82 N 0.82 0.54 -0.56 3.45 3.04 -1.06 -1.67 116.94 121.49 3hye h PHE 82 Ca 0.14 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 3hye h PHE 82 Cb 0.57 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 3hye h PHE 82 CO 0.03 0.47 0.17 0.28 -2.02 0.00 0.00 178.31 177.24 3hye h VAL 83 N 0.45 1.24 -0.38 1.41 2.07 -0.90 -2.04 116.25 118.11 3hye h VAL 83 Ca 0.12 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3hye h VAL 83 Cb 0.15 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3hye h VAL 83 CO -0.01 0.31 0.21 -0.09 0.02 0.00 0.00 177.57 178.00 3hye h ARG 84 N 0.79 0.41 -0.81 1.57 2.43 -0.48 -1.84 114.38 116.45 3hye h ARG 84 Ca 0.18 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3hye h ARG 84 Cb 0.30 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 3hye h ARG 84 CO -0.00 0.27 0.53 0.37 -1.51 0.00 0.00 179.97 179.62 3hye h GLN 85 N 0.42 1.01 -0.84 0.20 4.15 -1.10 0.20 115.11 119.15 3hye h GLN 85 Ca 0.15 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hye h GLN 85 Cb 0.03 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.45 3hye h GLN 85 CO -0.09 0.67 0.52 0.93 -1.93 0.00 0.00 178.83 178.93 3hye h GLU 86 N 1.04 1.14 -0.17 1.69 4.39 -0.87 -1.51 114.58 120.28 3hye h GLU 86 Ca 0.32 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 59.72 3hye h GLU 86 Cb -0.03 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.38 3hye h GLU 86 CO -0.10 0.79 -0.70 -0.07 -1.16 0.00 0.00 179.01 177.77 3hye h LEU 87 N 1.15 0.84 -2.05 1.33 3.38 -0.63 -2.28 115.31 117.06 3hye h LEU 87 Ca 0.30 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3hye h LEU 87 Cb -0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3hye h LEU 87 CO -0.06 1.30 -0.09 0.00 0.09 0.00 0.00 178.44 179.68 3hye h ALA 88 N 0.69 1.32 0.00 1.53 0.00 -0.29 -0.98 119.26 121.54 3hye h ALA 88 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hye h ALA 88 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hye h ALA 88 CO 0.14 0.11 -0.05 0.87 0.00 0.00 0.00 179.25 180.32 3hye h LYS 89 N 0.00 0.03 -0.95 0.00 1.57 -1.14 -3.34 116.57 112.73 3hye h LYS 89 Ca -0.00 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 3hye h LYS 89 Cb 0.26 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.50 3hye h LYS 89 CO 0.01 0.90 0.61 1.03 -0.57 0.00 0.00 179.45 181.43 3hye h SER 90 N -0.84 0.80 0.10 0.86 0.87 -0.90 -2.30 113.55 112.14 3hye h SER 90 Ca -0.01 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3hye h SER 90 Cb 0.92 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3hye h SER 90 CO 0.01 0.41 -0.04 -0.29 -0.53 0.00 0.00 176.83 176.39 3hye h ILE 90 N 0.85 0.56 -0.41 2.23 -0.00 -1.31 -1.85 117.51 117.58 3hye h ILE 90 Ca 0.48 -0.16 0.00 0.00 -0.00 0.00 0.00 64.86 65.18 3hye h ILE 90 Cb 0.61 1.10 0.00 0.00 -0.00 0.00 0.00 36.82 38.53 3hye h ILE 90 CO -0.25 0.04 0.00 0.54 -0.00 0.00 0.00 178.15 178.48 3hye n ARG 90 N -3.81 3.38 -2.83 2.19 1.74 -0.87 -4.85 116.66 111.61 3hye n ARG 90 Ca -0.03 -2.74 -0.21 0.00 -0.77 0.00 0.00 57.85 54.10 3hye n ARG 90 Cb 0.13 -1.80 0.09 0.00 -1.02 0.00 0.00 32.46 29.85 3hye n ARG 90 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hye s SER 91 N -1.36 4.72 0.13 0.55 1.04 -0.69 -5.03 113.70 113.07 3hye s SER 91 Ca 0.42 -0.64 -0.27 0.00 0.48 0.00 0.00 55.95 55.94 3hye s SER 91 Cb 0.30 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3hye s SER 91 CO 0.15 -1.60 1.61 -0.09 0.98 0.00 0.00 173.24 174.29 3hye h ARG 92 N -0.16 -0.43 -3.45 4.02 2.43 -1.94 -3.36 114.38 111.48 3hye h ARG 92 Ca -0.33 0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.28 3hye h ARG 92 Cb 1.28 0.10 -0.40 0.00 -0.42 0.00 0.00 29.97 30.53 3hye h ARG 92 CO 0.40 -0.29 -0.75 0.50 -1.51 0.00 0.00 179.97 178.32 3hye s ARG 93 N -6.00 0.85 0.61 0.20 3.52 -1.26 -5.13 118.95 111.74 3hye s ARG 93 Ca -0.15 -1.31 -0.19 0.00 -0.13 0.00 0.00 55.73 53.95 3hye s ARG 93 Cb 0.09 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 31.37 3hye s ARG 93 CO 0.65 -1.03 1.28 -2.14 -0.81 0.00 0.00 175.30 173.26 3hye s PRO 94 N 1.31 2.80 -0.29 5.12 0.02 -1.25 -4.96 135.00 137.75 3hye s PRO 94 Ca 0.12 2.03 -0.29 0.00 0.02 0.00 0.00 61.00 62.88 3hye s PRO 94 Cb -0.19 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3hye s PRO 94 CO -0.18 -1.40 1.25 0.71 -0.33 0.00 0.00 177.00 177.05 3hye s TYR 95 N -1.43 2.80 -1.20 6.54 2.02 -1.26 -4.93 117.35 119.89 3hye s TYR 95 Ca 0.79 0.95 -0.10 0.00 -0.37 0.00 0.00 57.07 58.34 3hye s TYR 95 Cb -0.36 -3.82 0.21 0.00 -0.40 0.00 0.00 41.96 37.59 3hye s TYR 95 CO 0.39 -1.52 1.55 1.04 -1.57 0.00 0.00 175.55 175.44 3hye n GLN 96 N 7.15 3.71 -4.32 -0.62 6.02 -1.26 -4.82 117.38 123.23 3hye n GLN 96 Ca 0.14 -3.97 -0.19 0.00 -0.01 0.00 0.00 57.00 52.96 3hye n GLN 96 Cb 0.46 -2.82 -0.15 0.00 1.02 0.00 0.00 30.24 28.75 3hye n GLN 96 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hye s VAL 97 N -0.16 0.68 -0.01 5.09 1.01 -1.26 -0.86 120.40 124.88 3hye s VAL 97 Ca 0.37 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3hye s VAL 97 Cb 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3hye s VAL 97 CO 0.01 0.21 -0.13 0.20 0.00 0.00 0.00 175.10 175.39 3hye s ASN 98 N 0.15 4.12 0.08 3.32 0.01 0.02 -2.47 114.94 120.17 3hye s ASN 98 Ca -0.02 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 51.88 3hye s ASN 98 Cb -0.07 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.71 3hye s ASN 98 CO 0.00 0.30 -0.04 0.68 -1.51 0.00 0.00 177.10 176.53 3hye s VAL 99 N -0.86 0.48 -0.06 1.60 -7.23 0.21 -1.59 120.40 112.95 3hye s VAL 99 Ca 0.14 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 3hye s VAL 99 Cb -0.11 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.18 3hye s VAL 99 CO 0.04 -0.88 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.02 3hye s LEU 100 N -3.00 1.85 -0.23 1.32 1.43 -0.67 -1.57 118.68 117.80 3hye s LEU 100 Ca 0.11 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3hye s LEU 100 Cb 0.06 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.31 3hye s LEU 100 CO -0.06 0.11 -0.13 -0.63 0.23 0.00 0.00 176.35 175.87 3hye s ILE 101 N 0.34 2.25 -0.19 -0.59 1.01 0.13 -1.23 121.20 122.93 3hye s ILE 101 Ca -0.11 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 59.21 3hye s ILE 101 Cb -0.15 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3hye s ILE 101 CO 0.04 0.21 -0.03 -0.83 0.00 0.00 0.00 174.94 174.34 3hye s GLY 102 N 1.21 1.68 0.04 6.18 0.00 0.80 -0.28 107.32 116.95 3hye s GLY 102 Ca -0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.64 3hye s GLY 102 CO -0.08 0.18 0.14 -0.32 0.00 0.00 0.00 173.10 173.03 3hye s GLY 103 N 0.92 0.11 -0.25 0.20 0.00 -0.04 0.21 107.32 108.47 3hye s GLY 103 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.22 3hye s GLY 103 CO 0.01 -0.61 -0.00 -0.47 0.00 0.00 0.00 173.10 172.03 3hye s TYR 104 N -2.75 3.06 0.00 1.90 6.14 0.14 0.17 117.35 126.01 3hye s TYR 104 Ca -0.04 -1.10 0.00 0.00 0.64 0.00 0.00 57.07 56.58 3hye s TYR 104 Cb -0.00 -2.15 0.00 0.00 0.42 0.00 0.00 41.96 40.23 3hye s TYR 104 CO -0.05 -0.60 0.00 -3.47 0.64 0.00 0.00 175.55 172.07 3hye n ASP 105 N 4.79 0.00 0.00 4.32 4.64 -0.68 -4.85 116.55 124.77 3hye n ASP 105 Ca -0.16 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.25 3hye n ASP 105 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.57 3hye n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3hye n LYS 10 N 0.00 0.00 -3.46 -0.67 5.02 -1.26 -2.73 118.16 115.06 3hye n LYS 10 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 3hye n LYS 10 Cb 0.00 -1.99 0.09 0.00 -0.02 0.00 0.00 35.03 33.10 3hye n LYS 10 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hye n ASN 106 N 0.00 -2.32 -3.80 4.39 3.02 -1.26 -5.02 115.26 110.26 3hye n ASN 106 Ca 0.00 -0.62 -0.12 0.00 -0.03 0.00 0.00 54.58 53.80 3hye n ASN 106 Cb 0.00 -5.07 -0.12 0.00 -0.61 0.00 0.00 39.78 33.98 3hye n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hye s LYS 107 N -5.46 0.29 0.48 3.52 1.02 -1.11 -5.06 119.74 113.43 3hye s LYS 107 Ca 0.04 0.21 -0.18 0.00 0.02 0.00 0.00 55.97 56.07 3hye s LYS 107 Cb -0.02 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.34 3hye s LYS 107 CO 0.73 -0.04 0.96 -1.25 -0.92 0.00 0.00 175.35 174.83 3hye s PRO 108 N -0.09 4.02 -0.02 -1.68 0.04 -1.26 -1.68 135.00 134.32 3hye s PRO 108 Ca -0.02 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 3hye s PRO 108 Cb -0.02 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3hye s PRO 108 CO 0.01 -0.19 0.06 -1.21 0.04 0.00 0.00 177.00 175.71 3hye s GLU 109 N -3.79 0.07 -0.12 4.56 2.02 0.13 -4.92 118.70 116.64 3hye s GLU 109 Ca 0.59 0.09 0.02 0.00 0.02 0.00 0.00 54.97 55.69 3hye s GLU 109 Cb -0.10 0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.17 3hye s GLU 109 CO 0.26 -0.02 -0.16 -1.17 0.02 0.00 0.00 175.26 174.19 3hye s LEU 110 N 0.09 1.78 -0.08 1.80 2.96 -1.26 -0.86 118.68 123.11 3hye s LEU 110 Ca -0.00 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3hye s LEU 110 Cb -0.01 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 3hye s LEU 110 CO -0.00 0.01 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.51 3hye s TYR 111 N 1.07 2.56 -0.17 5.38 2.02 0.62 -1.84 117.35 126.98 3hye s TYR 111 Ca -0.04 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 55.89 3hye s TYR 111 Cb -0.15 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 3hye s TYR 111 CO -0.04 -0.23 -0.07 -1.14 -1.57 0.00 0.00 175.55 172.50 3hye s GLN 112 N 0.00 3.48 -0.04 -0.62 0.74 -0.30 0.23 119.66 123.14 3hye s GLN 112 Ca -0.07 -0.61 -0.01 0.00 0.05 0.00 0.00 55.36 54.71 3hye s GLN 112 Cb -0.15 -2.85 0.03 0.00 1.10 0.00 0.00 33.01 31.14 3hye s GLN 112 CO 0.05 0.09 0.03 0.42 -0.55 0.00 0.00 175.29 175.33 3hye s ILE 113 N 0.73 0.05 0.75 -2.34 1.01 -0.61 -1.13 121.20 119.66 3hye s ILE 113 Ca -0.03 0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 3hye s ILE 113 Cb -0.15 -0.25 0.13 0.00 0.01 0.00 0.00 42.46 42.20 3hye s ILE 113 CO 0.02 0.18 1.03 1.51 0.00 0.00 0.00 174.94 177.68 3hye s ASP 114 N 1.81 4.26 0.39 3.58 3.84 -0.84 -0.62 116.67 129.08 3hye s ASP 114 Ca 0.01 -0.16 0.26 0.00 -0.00 0.00 0.00 52.55 52.66 3hye s ASP 114 Cb -0.12 -0.22 1.41 0.00 -1.38 0.00 0.00 42.92 42.60 3hye s ASP 114 CO -0.03 -1.93 1.81 0.10 -0.00 0.00 0.00 175.17 175.12 3hye h TYR 115 N -0.67 0.00 -0.00 2.11 -0.00 -1.80 -1.40 116.97 115.20 3hye h TYR 115 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.34 3hye h TYR 115 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.00 3hye h TYR 115 CO -0.26 0.00 -0.22 1.28 -0.00 0.00 0.00 178.16 178.96 3hye n LEU 116 N -2.43 0.23 0.00 0.10 4.77 -1.26 -4.58 117.00 113.83 3hye n LEU 116 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3hye n LEU 116 Cb 0.06 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3hye n LEU 116 CO 0.13 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3hye n GLY 117 N 1.49 0.99 3.52 -0.72 0.00 -0.53 -4.24 105.19 105.70 3hye n GLY 117 Ca 0.07 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3hye n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hye s THR 118 N -2.00 4.37 -0.04 2.61 2.01 -1.25 -4.81 115.64 116.53 3hye s THR 118 Ca 0.00 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3hye s THR 118 Cb 0.00 -4.55 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 3hye s THR 118 CO 0.00 -1.14 -0.03 -0.75 -0.69 0.00 0.00 174.62 172.02 3hye s LYS 119 N 3.99 2.80 -0.03 4.92 2.20 -1.26 -1.99 119.74 130.37 3hye s LYS 119 Ca 0.30 -0.55 -0.13 0.00 -0.36 0.00 0.00 55.97 55.23 3hye s LYS 119 Cb -0.13 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3hye s LYS 119 CO 0.19 0.66 0.28 0.54 -0.36 0.00 0.00 175.35 176.66 3hye s VAL 120 N -0.94 0.05 -0.13 4.02 0.11 -0.28 -5.00 120.40 118.22 3hye s VAL 120 Ca 0.15 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 3hye s VAL 120 Cb -0.11 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3hye s VAL 120 CO 0.05 -0.24 0.04 -0.70 -3.33 0.00 0.00 175.10 170.92 3hye s GLU 121 N -1.13 3.49 0.14 1.54 2.12 -1.26 -1.15 118.70 122.46 3hye s GLU 121 Ca -0.12 -0.36 -0.07 0.00 0.36 0.00 0.00 54.97 54.79 3hye s GLU 121 Cb -0.05 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3hye s GLU 121 CO 0.03 0.50 0.20 -0.51 -0.54 0.00 0.00 175.26 174.94 3hye s LEU 122 N -0.30 1.30 0.19 2.70 1.43 -0.77 -5.00 118.68 118.24 3hye s LEU 122 Ca 0.08 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 3hye s LEU 122 Cb -0.12 0.90 0.10 0.00 0.03 0.00 0.00 46.19 47.10 3hye s LEU 122 CO 0.02 -0.82 1.47 -0.65 0.23 0.00 0.00 176.35 176.60 3hye h PRO 123 N 2.68 0.43 -2.40 1.29 0.11 -1.89 -3.38 132.00 128.84 3hye h PRO 123 Ca -0.33 -0.32 -0.07 0.00 0.11 0.00 0.00 66.00 65.39 3hye h PRO 123 Cb 1.21 0.06 -0.18 0.00 0.11 0.00 0.00 31.00 32.19 3hye h PRO 123 CO 0.53 0.94 0.06 1.52 -0.21 0.00 0.00 178.00 180.84 3hye s TYR 124 N -3.75 -0.51 0.37 0.65 1.13 -1.26 0.14 117.35 114.12 3hye s TYR 124 Ca -0.06 0.79 -0.16 0.00 -1.41 0.00 0.00 57.07 56.23 3hye s TYR 124 Cb 0.11 0.34 0.05 0.00 -1.10 0.00 0.00 41.96 41.35 3hye s TYR 124 CO 0.83 -0.58 0.77 0.20 -2.51 0.00 0.00 175.55 174.27 3hye s GLY 125 N -1.43 0.31 0.24 5.49 0.00 -0.39 -5.00 107.32 106.54 3hye s GLY 125 Ca -0.10 -0.69 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 3hye s GLY 125 CO 0.06 -0.28 0.88 0.00 0.00 0.00 0.00 173.10 173.76 3hye s ALA 126 N -2.58 -1.36 0.13 3.20 0.00 -1.26 -1.58 121.76 118.31 3hye s ALA 126 Ca 0.15 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.93 3hye s ALA 126 Cb -0.05 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3hye s ALA 126 CO 0.11 -1.04 -0.15 -1.01 0.00 0.00 0.00 175.76 173.67 3hye s HIS 127 N -3.02 1.51 0.00 0.00 3.76 -1.15 -4.82 115.29 111.57 3hye s HIS 127 Ca 0.14 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3hye s HIS 127 Cb -0.03 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.87 3hye s HIS 127 CO 0.06 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.54 3hye n GLY 128 N 0.54 0.73 0.01 -2.22 0.00 -1.26 -3.35 105.19 99.64 3hye n GLY 128 Ca -0.15 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.18 3hye n GLY 128 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hye n TYR 129 N 12.29 0.11 -0.25 1.61 4.01 -1.26 -4.30 117.16 129.37 3hye n TYR 129 Ca 0.00 0.03 0.06 0.00 -0.16 0.00 0.00 57.90 57.83 3hye n TYR 129 Cb 0.00 -0.32 0.18 0.00 -0.31 0.00 0.00 39.34 38.89 3hye n TYR 129 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3hye h SER 130 N 0.00 0.00 -0.40 7.72 0.02 -1.89 -0.13 113.55 118.87 3hye h SER 130 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3hye h SER 130 Cb 0.56 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 3hye h SER 130 CO 0.00 -0.04 0.26 1.23 -1.14 0.00 0.00 176.83 177.13 3hye h GLY 131 N 0.26 0.58 1.40 -3.77 0.00 -1.79 -2.40 103.07 97.35 3hye h GLY 131 Ca 0.42 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.55 3hye h GLY 131 CO -0.52 0.22 0.35 0.74 0.00 0.00 0.00 176.54 177.33 3hye h PHE 132 N 0.56 0.60 0.01 5.60 0.04 -1.29 -0.44 116.94 122.02 3hye h PHE 132 Ca 0.15 0.01 -0.33 0.00 2.80 0.00 0.00 57.97 60.61 3hye h PHE 132 Cb -0.04 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 37.86 3hye h PHE 132 CO 0.00 0.36 -1.98 0.66 -0.60 0.00 0.00 178.31 176.75 3hye n TYR 133 N -4.47 0.68 -0.05 -0.55 4.01 -1.03 -4.63 117.16 111.11 3hye n TYR 133 Ca 0.06 0.23 -0.04 0.00 -0.16 0.00 0.00 57.90 57.98 3hye n TYR 133 Cb 0.12 -1.12 -0.15 0.00 -0.31 0.00 0.00 39.34 37.89 3hye n TYR 133 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3hye n THR 134 N -3.01 1.11 0.15 -0.72 -2.24 -0.93 -4.51 114.28 104.12 3hye n THR 134 Ca -0.25 -0.76 0.14 0.00 -2.27 0.00 0.00 64.05 60.92 3hye n THR 134 Cb 1.08 -0.47 0.69 0.00 -2.10 0.00 0.00 70.33 69.52 3hye n THR 134 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3hye h PHE 135 N 0.00 0.00 -0.06 4.78 0.04 -1.30 -0.94 116.94 119.45 3hye h PHE 135 Ca -0.36 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.28 3hye h PHE 135 Cb 1.88 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.02 3hye h PHE 135 CO 0.00 0.00 -0.56 0.66 -0.60 0.00 0.00 178.31 177.81 3hye h SER 136 N 0.00 0.21 -0.14 2.17 4.64 -1.80 0.12 113.55 118.74 3hye h SER 136 Ca 0.11 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3hye h SER 136 Cb 0.47 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3hye h SER 136 CO -0.00 0.72 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.21 3hye h LEU 137 N 0.14 0.59 -0.68 5.97 3.38 -1.47 -2.85 115.31 120.39 3hye h LEU 137 Ca -0.00 -0.60 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 3hye h LEU 137 Cb 1.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3hye h LEU 137 CO 0.08 1.08 -0.09 -0.07 0.09 0.00 0.00 178.44 179.53 3hye h LEU 138 N 0.13 0.92 -1.86 1.67 3.38 -1.19 -0.74 115.31 117.62 3hye h LEU 138 Ca -0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3hye h LEU 138 Cb 1.02 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3hye h LEU 138 CO 0.09 1.03 -0.08 0.44 0.09 0.00 0.00 178.44 180.01 3hye h ASP 139 N 0.84 0.00 0.00 -0.43 3.32 -0.79 -1.63 116.42 117.73 3hye h ASP 139 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3hye h ASP 139 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3hye h ASP 139 CO 0.04 0.08 -0.06 -0.74 -1.72 0.00 0.00 179.24 176.84 3hye h HIS 140 N 0.00 0.00 -0.00 4.55 2.76 -1.17 -3.40 115.15 117.89 3hye h HIS 140 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3hye h HIS 140 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3hye h HIS 140 CO 0.00 0.00 -0.03 0.72 -1.30 0.00 0.00 177.93 177.32 3hye n HIS 141 N -4.26 0.00 -2.54 5.26 8.25 -0.34 -4.93 115.22 116.67 3hye n HIS 141 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3hye n HIS 141 Cb 0.03 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 3hye n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3hye s TYR 142 N -2.18 3.64 -0.02 4.41 5.04 -0.62 -5.04 117.35 122.59 3hye s TYR 142 Ca 0.39 1.66 -0.00 0.00 -2.44 0.00 0.00 57.07 56.67 3hye s TYR 142 Cb 0.21 -3.24 0.02 0.00 0.35 0.00 0.00 41.96 39.30 3hye s TYR 142 CO 0.40 -0.46 0.03 1.03 -1.34 0.00 0.00 175.55 175.21 3hye s ARG 143 N -0.64 -0.02 0.60 4.97 1.81 -1.26 -5.03 118.95 119.38 3hye s ARG 143 Ca 0.48 0.15 0.30 0.00 -1.72 0.00 0.00 55.73 54.94 3hye s ARG 143 Cb -0.29 -0.18 1.72 0.00 -0.45 0.00 0.00 34.95 35.75 3hye s ARG 143 CO 0.36 -0.13 2.12 -1.35 -0.68 0.00 0.00 175.30 175.62 3hye h PRO 144 N 7.00 0.00 -0.64 3.54 0.11 -1.96 -2.18 132.00 137.86 3hye h PRO 144 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hye h PRO 144 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hye h PRO 144 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3hye n ASP 145 N -3.70 3.56 -4.63 -2.05 3.85 -1.26 -3.29 116.55 109.02 3hye n ASP 145 Ca 0.01 -2.06 -0.38 0.00 -0.71 0.00 0.00 54.79 51.65 3hye n ASP 145 Cb 0.29 -0.45 0.05 0.00 -1.35 0.00 0.00 41.12 39.67 3hye n ASP 145 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 3hye n MET 146 N 1.31 0.98 -2.49 0.11 2.81 -0.82 -4.64 117.12 114.38 3hye n MET 146 Ca 0.22 0.38 -0.24 0.00 -1.81 0.00 0.00 57.70 56.24 3hye n MET 146 Cb 0.58 -2.22 0.04 0.00 -0.71 0.00 0.00 33.22 30.92 3hye n MET 146 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3hye s THR 147 N -1.48 2.89 0.28 2.03 -4.23 -1.26 -1.46 115.64 112.41 3hye s THR 147 Ca 0.76 -0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 3hye s THR 147 Cb -0.42 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.54 3hye s THR 147 CO 0.47 -0.13 1.95 0.74 -0.54 0.00 0.00 174.62 177.11 3hye h THR 148 N -0.16 1.22 -0.63 3.99 2.02 -1.97 -0.19 112.91 117.19 3hye h THR 148 Ca -0.44 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 3hye h THR 148 Cb 1.29 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3hye h THR 148 CO 0.57 0.22 0.18 -0.08 0.37 0.00 0.00 175.52 176.78 3hye h GLU 149 N 1.21 0.96 -0.38 6.66 4.57 -1.99 -0.79 114.58 124.82 3hye h GLU 149 Ca 0.34 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 58.18 3hye h GLU 149 Cb -0.11 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 3hye h GLU 149 CO -0.08 0.83 -0.32 0.93 -1.18 0.00 0.00 179.01 179.19 3hye h GLU 150 N 0.92 0.84 -0.60 1.92 5.08 -1.68 -2.43 114.58 118.64 3hye h GLU 150 Ca 0.20 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3hye h GLU 150 Cb 0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3hye h GLU 150 CO -0.01 1.04 0.33 0.78 -1.00 0.00 0.00 179.01 180.15 3hye h GLY 151 N 0.89 0.90 1.68 -3.84 0.00 -0.54 -1.27 103.07 100.89 3hye h GLY 151 Ca 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3hye h GLY 151 CO 0.08 0.40 -0.02 1.41 0.00 0.00 0.00 176.54 178.41 3hye h LEU 152 N 0.82 0.38 -0.46 3.11 3.38 -1.02 -1.14 115.31 120.38 3hye h LEU 152 Ca 0.21 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 3hye h LEU 152 Cb 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hye h LEU 152 CO -0.03 0.45 -0.63 0.44 0.09 0.00 0.00 178.44 178.76 3hye h ASP 153 N 0.39 0.58 -0.37 -0.43 3.45 -0.92 -1.02 116.42 118.10 3hye h ASP 153 Ca 0.09 -0.34 -0.12 0.00 0.43 0.00 0.00 57.03 57.09 3hye h ASP 153 Cb 0.29 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3hye h ASP 153 CO 0.01 1.06 -0.26 0.25 -1.57 0.00 0.00 179.24 178.73 3hye h LEU 154 N 0.37 0.87 -0.31 1.55 5.85 -0.81 -2.24 115.31 120.58 3hye h LEU 154 Ca -0.01 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 3hye h LEU 154 Cb 1.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3hye h LEU 154 CO 0.11 1.11 0.11 -0.07 -0.34 0.00 0.00 178.44 179.37 3hye h LEU 155 N 0.62 0.44 -0.86 2.25 3.38 -1.15 -1.29 115.31 118.70 3hye h LEU 155 Ca 0.07 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.01 3hye h LEU 155 Cb 0.83 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 3hye h LEU 155 CO 0.07 0.51 0.45 0.50 0.09 0.00 0.00 178.44 180.05 3hye h LYS 156 N 0.34 0.60 -0.54 1.13 3.64 -1.10 0.37 116.57 121.01 3hye h LYS 156 Ca 0.10 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3hye h LYS 156 Cb 0.22 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3hye h LYS 156 CO -0.01 0.40 0.22 1.25 -2.27 0.00 0.00 179.45 179.04 3hye h LEU 157 N 0.62 0.75 -0.33 5.20 5.85 -0.78 -1.28 115.31 125.35 3hye h LEU 157 Ca 0.47 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3hye h LEU 157 Cb 0.68 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3hye h LEU 157 CO -0.37 0.72 0.17 0.00 -0.34 0.00 0.00 178.44 178.62 3hye h VAL 159 N 0.41 1.22 -0.70 0.00 2.07 -0.22 -1.20 116.25 117.83 3hye h VAL 159 Ca 0.12 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 3hye h VAL 159 Cb 0.08 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3hye h VAL 159 CO -0.02 0.24 0.19 1.56 0.02 0.00 0.00 177.57 179.56 3hye h GLN 160 N 1.03 1.11 -0.68 1.57 4.20 -0.83 0.17 115.11 121.68 3hye h GLN 160 Ca 0.26 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3hye h GLN 160 Cb 0.02 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3hye h GLN 160 CO -0.04 0.97 0.14 1.49 -0.67 0.00 0.00 178.83 180.71 3hye h GLU 161 N 1.06 1.11 -0.55 1.46 4.57 -0.80 -1.57 114.58 119.87 3hye h GLU 161 Ca 0.22 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3hye h GLU 161 Cb 0.34 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3hye h GLU 161 CO -0.00 1.00 0.11 -0.07 -1.18 0.00 0.00 179.01 178.87 3hye h LEU 162 N 1.05 0.85 -1.56 1.64 3.38 -0.60 -1.39 115.31 118.67 3hye h LEU 162 Ca 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hye h LEU 162 Cb 0.41 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hye h LEU 162 CO 0.01 0.88 0.00 -0.33 0.09 0.00 0.00 178.44 179.09 3hye h GLU 163 N 0.78 0.00 0.01 1.13 5.08 -0.38 -1.67 114.58 119.53 3hye h GLU 163 Ca 0.17 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 3hye h GLU 163 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3hye h GLU 163 CO 0.01 0.00 -1.15 -0.22 -1.00 0.00 0.00 179.01 176.64 3hye h LYS 164 N 0.00 0.01 0.00 2.33 3.64 -0.77 -3.42 116.57 118.36 3hye h LYS 164 Ca 0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3hye h LYS 164 Cb 0.45 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3hye h LYS 164 CO 0.00 1.01 -1.46 0.54 -2.27 0.00 0.00 179.45 177.27 3hye n ARG 165 N -4.41 0.63 -2.64 1.90 5.12 -0.57 -4.93 116.66 111.75 3hye n ARG 165 Ca -0.30 0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.26 3hye n ARG 165 Cb 0.68 -1.72 -0.04 0.00 -1.16 0.00 0.00 32.46 30.22 3hye n ARG 165 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 3hye s MET 166 N -3.25 4.59 0.38 5.56 1.75 -0.63 -4.96 119.30 122.75 3hye s MET 166 Ca -0.04 1.53 0.05 0.00 -1.25 0.00 0.00 55.69 55.98 3hye s MET 166 Cb 0.10 -3.39 0.74 0.00 2.84 0.00 0.00 34.83 35.13 3hye s MET 166 CO 0.83 0.02 1.99 -1.35 -0.65 0.00 0.00 175.02 175.86 3hye h PRO 167 N 6.16 0.57 -6.42 4.11 0.11 -1.92 -3.44 132.00 131.17 3hye h PRO 167 Ca -0.42 -0.06 -0.54 0.00 0.11 0.00 0.00 66.00 65.09 3hye h PRO 167 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3hye h PRO 167 CO 0.75 0.45 -0.09 -1.64 -0.21 0.00 0.00 178.00 177.25 3hye s MET 168 N -5.35 3.87 -0.52 1.05 -1.94 -1.26 -5.04 119.30 110.11 3hye s MET 168 Ca -0.08 0.37 -0.19 0.00 -1.71 0.00 0.00 55.69 54.07 3hye s MET 168 Cb 0.17 -2.72 0.06 0.00 2.01 0.00 0.00 34.83 34.35 3hye s MET 168 CO 0.75 0.36 0.66 0.34 -0.01 0.00 0.00 175.02 177.11 3hye s ASP 169 N -2.15 6.22 0.00 3.03 -1.08 -1.26 -4.90 116.67 116.53 3hye s ASP 169 Ca 0.45 -0.95 0.21 0.00 -0.52 0.00 0.00 52.55 51.74 3hye s ASP 169 Cb -0.12 -2.30 0.83 0.00 -1.46 0.00 0.00 42.92 39.86 3hye s ASP 169 CO 0.20 -0.95 1.59 2.22 0.52 0.00 0.00 175.17 178.75 3hye n PHE 170 N 6.29 0.17 -3.46 -5.34 1.16 -1.26 -4.91 117.46 110.10 3hye n PHE 170 Ca -0.06 -0.08 -0.20 0.00 -1.87 0.00 0.00 57.45 55.23 3hye n PHE 170 Cb 0.45 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.40 3hye n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3hye n LYS 171 N 0.18 -7.05 -0.54 3.97 4.76 -1.26 -1.75 118.16 116.46 3hye n LYS 171 Ca 0.16 0.77 0.07 0.00 -2.87 0.00 0.00 58.31 56.45 3hye n LYS 171 Cb 0.30 -5.64 -0.02 0.00 -1.84 0.00 0.00 35.03 27.84 3hye n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hye n GLY 172 N -1.68 -1.98 3.18 0.72 0.00 -1.26 -4.19 105.19 99.98 3hye n GLY 172 Ca -0.07 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 3hye n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 173 N -1.24 0.95 -0.16 1.61 -7.23 -1.26 -1.46 120.40 111.60 3hye s VAL 173 Ca 0.00 -1.68 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 3hye s VAL 173 Cb 0.00 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 3hye s VAL 173 CO 0.00 -0.58 0.09 -0.63 -0.31 0.00 0.00 175.10 173.66 3hye s ILE 174 N -2.54 5.02 -0.05 -0.62 1.01 -0.19 -4.87 121.20 118.97 3hye s ILE 174 Ca 0.06 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.80 3hye s ILE 174 Cb -0.02 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 3hye s ILE 174 CO -0.00 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 3hye s VAL 175 N -0.12 2.81 -0.00 2.92 1.01 -1.26 -1.69 120.40 124.07 3hye s VAL 175 Ca 0.08 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3hye s VAL 175 Cb -0.12 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3hye s VAL 175 CO 0.01 0.58 -0.07 -0.54 0.00 0.00 0.00 175.10 175.08 3hye s LYS 176 N -0.56 0.57 -0.10 2.72 1.02 -0.34 -1.40 119.74 121.66 3hye s LYS 176 Ca 0.08 -0.27 -0.03 0.00 0.02 0.00 0.00 55.97 55.77 3hye s LYS 176 Cb -0.11 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.61 3hye s LYS 176 CO 0.01 0.15 0.01 0.42 -0.92 0.00 0.00 175.35 175.02 3hye s ILE 177 N -0.21 4.41 -0.18 2.17 -1.09 0.19 -1.69 121.20 124.81 3hye s ILE 177 Ca 0.02 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 3hye s ILE 177 Cb -0.03 -2.87 0.03 0.00 -1.58 0.00 0.00 42.46 38.02 3hye s ILE 177 CO -0.00 0.59 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.49 3hye s VAL 178 N -0.77 1.62 0.11 2.92 1.01 -0.12 -1.57 120.40 123.60 3hye s VAL 178 Ca 0.12 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3hye s VAL 178 Cb -0.12 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3hye s VAL 178 CO 0.02 0.30 0.12 -0.90 0.00 0.00 0.00 175.10 174.64 3hye n ASP 179 N 4.72 -0.34 0.24 3.32 5.68 -0.18 -1.28 116.55 128.71 3hye n ASP 179 Ca -0.16 -1.64 0.14 0.00 -0.50 0.00 0.00 54.79 52.64 3hye n ASP 179 Cb 0.48 0.68 0.61 0.00 -1.14 0.00 0.00 41.12 41.74 3hye n ASP 179 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3hye h LYS 180 N 0.00 0.00 -0.03 0.11 2.10 -1.93 0.27 116.57 117.10 3hye h LYS 180 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 3hye h LYS 180 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3hye h LYS 180 CO 0.11 0.00 -0.10 -0.25 -2.00 0.00 0.00 179.45 177.22 3hye n ASP 181 N -3.00 2.72 0.00 7.07 8.00 -1.26 -5.08 116.55 125.00 3hye n ASP 181 Ca 0.02 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3hye n ASP 181 Cb 0.65 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 3hye n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hye n GLY 183 N 1.31 0.33 3.20 0.44 0.00 0.96 -5.02 105.19 106.41 3hye n GLY 183 Ca 0.12 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 3hye n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hye s ILE 184 N -0.38 2.10 0.08 -0.61 1.01 -1.24 -1.01 121.20 121.14 3hye s ILE 184 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3hye s ILE 184 Cb 0.00 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3hye s ILE 184 CO 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 174.94 175.40 3hye s ARG 185 N 0.61 0.74 -0.15 2.79 1.70 -0.61 -4.98 118.95 119.05 3hye s ARG 185 Ca -0.12 -1.03 -0.05 0.00 -0.47 0.00 0.00 55.73 54.06 3hye s ARG 185 Cb -0.17 -0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 33.75 3hye s ARG 185 CO 0.03 0.07 0.01 -1.14 -1.08 0.00 0.00 175.30 173.19 3hye s GLN 186 N -2.45 3.66 -1.14 3.89 0.74 -1.26 -0.63 119.66 122.47 3hye s GLN 186 Ca 0.01 -0.42 -0.21 0.00 0.05 0.00 0.00 55.36 54.79 3hye s GLN 186 Cb -0.05 -3.02 0.06 0.00 1.10 0.00 0.00 33.01 31.10 3hye s GLN 186 CO -0.00 0.36 1.58 0.08 -0.55 0.00 0.00 175.29 176.75 3hye s VAL 187 N 0.09 4.00 -1.27 1.34 1.01 -0.49 -4.82 120.40 120.26 3hye s VAL 187 Ca 0.03 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.77 3hye s VAL 187 Cb -0.13 -5.12 0.04 0.00 0.00 0.00 0.00 36.38 31.17 3hye s VAL 187 CO 0.02 -1.97 0.97 -0.90 0.00 0.00 0.00 175.10 173.21 3hye n ASP 188 N 8.70 0.00 -3.86 3.32 3.85 -1.26 -3.89 116.55 123.41 3hye n ASP 188 Ca 0.40 0.34 -0.28 0.00 -0.71 0.00 0.00 54.79 54.54 3hye n ASP 188 Cb 0.49 -0.36 -0.12 0.00 -1.35 0.00 0.00 41.12 39.77 3hye n ASP 188 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 3hye s ASP 189 N -2.73 4.54 0.00 -1.12 -4.77 -1.26 -4.71 116.67 106.62 3hye s ASP 189 Ca 0.02 -3.77 0.00 0.00 -3.30 0.00 0.00 52.55 45.51 3hye s ASP 189 Cb 0.02 -1.54 0.00 0.00 -1.09 0.00 0.00 42.92 40.31 3hye s ASP 189 CO 0.04 -0.10 0.08 0.33 0.70 0.00 0.00 175.17 176.23 3hye n PHE 190 N 2.08 0.00 0.27 2.11 -0.00 -1.25 -4.26 117.46 116.41 3hye n PHE 190 Ca 0.20 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.71 3hye n PHE 190 Cb 0.36 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 40.12 3hye n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3hye n GLN 191 N -0.31 0.05 -2.66 -4.13 3.00 -1.26 -3.82 117.38 108.25 3hye n GLN 191 Ca 0.00 0.41 -0.04 0.00 -0.01 0.00 0.00 57.00 57.36 3hye n GLN 191 Cb 0.05 -1.62 0.09 0.00 0.00 0.00 0.00 30.24 28.75 3hye n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hye n ALA 192 N -1.58 -3.49 1.28 -1.58 0.00 -1.26 -5.19 120.51 108.69 3hye n ALA 192 Ca 0.01 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.28 3hye n ALA 192 Cb 0.11 -3.27 0.34 0.00 0.00 0.00 0.00 19.45 16.63 3hye n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44