#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 5.57 -0.19 6.12 1.01 -1.26 -4.97 116.67 122.95 3hye s ASP 1 Ca 0.00 1.17 -0.21 0.00 0.71 0.00 0.00 52.55 54.22 3hye s ASP 1 Cb 0.00 -2.01 -0.02 0.00 1.01 0.00 0.00 42.92 41.90 3hye s ASP 1 CO 0.00 -1.26 0.64 -0.63 0.21 0.00 0.00 175.17 174.13 3hye s ILE 2 N -3.33 5.01 -0.21 0.77 1.09 -1.26 -4.88 121.20 118.39 3hye s ILE 2 Ca 0.58 1.22 -0.01 0.00 -1.10 0.00 0.00 60.65 61.34 3hye s ILE 2 Cb -0.11 -3.96 0.06 0.00 -1.06 0.00 0.00 42.46 37.39 3hye s ILE 2 CO 0.52 0.11 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.84 3hye s ILE 3 N 1.86 1.00 0.10 2.92 -1.09 -1.26 -1.37 121.20 123.36 3hye s ILE 3 Ca 0.30 -0.88 0.08 0.00 -2.23 0.00 0.00 60.65 57.92 3hye s ILE 3 Cb -0.16 -1.40 -0.03 0.00 -1.58 0.00 0.00 42.46 39.29 3hye s ILE 3 CO 0.11 -0.16 -0.19 -0.76 -1.23 0.00 0.00 174.94 172.70 3hye s LEU 4 N 1.64 2.31 -0.14 2.97 1.43 0.35 -2.92 118.68 124.32 3hye s LEU 4 Ca -0.03 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 3hye s LEU 4 Cb -0.18 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.27 3hye s LEU 4 CO -0.07 0.02 0.37 -0.83 0.23 0.00 0.00 176.35 176.07 3hye s GLY 5 N -1.97 -0.28 -0.01 -3.19 0.00 -0.54 -0.90 107.32 100.43 3hye s GLY 5 Ca 0.06 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.85 3hye s GLY 5 CO 0.04 0.95 0.00 -1.50 0.00 0.00 0.00 173.10 172.59 3hye s ILE 6 N 0.29 0.04 -0.36 0.90 2.07 0.31 -1.15 121.20 123.29 3hye s ILE 6 Ca -0.01 0.06 -0.09 0.00 -1.41 0.00 0.00 60.65 59.20 3hye s ILE 6 Cb -0.03 -0.09 0.03 0.00 0.13 0.00 0.00 42.46 42.50 3hye s ILE 6 CO -0.00 0.05 0.17 -0.60 -1.91 0.00 0.00 174.94 172.65 3hye s ARG 7 N 0.44 2.75 0.00 3.50 3.52 0.44 0.13 118.95 129.74 3hye s ARG 7 Ca -0.04 -1.11 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 3hye s ARG 7 Cb -0.06 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 3hye s ARG 7 CO -0.01 -0.69 0.00 1.33 -0.81 0.00 0.00 175.30 175.12 3hye n VAL 8 N 4.93 0.00 -0.10 7.11 0.24 -0.23 -4.84 118.33 125.44 3hye n VAL 8 Ca -0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 3hye n VAL 8 Cb 0.46 -0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 31.81 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 -0.33 0.00 7.34 5.75 -1.26 -3.31 115.11 123.30 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 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3hye h GLN 9 CO 0.00 -0.22 -0.28 -0.25 -2.65 0.00 0.00 178.83 175.43 3hye n ASP 10 N -5.42 1.59 -3.72 -0.69 8.00 -1.26 -4.62 116.55 110.43 3hye n ASP 10 Ca -0.01 -2.89 -0.06 0.00 0.71 0.00 0.00 54.79 52.55 3hye n ASP 10 Cb 0.35 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.43 -0.25 -0.06 -2.24 1.04 -1.25 -4.41 113.70 104.10 3hye s SER 11 Ca 0.26 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.37 3hye s SER 11 Cb 0.24 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 3hye s SER 11 CO -0.01 -0.98 -0.24 -0.69 0.98 0.00 0.00 173.24 172.30 3hye s VAL 12 N -3.45 1.98 -0.10 5.02 1.01 -0.32 -1.06 120.40 123.47 3hye s VAL 12 Ca 0.10 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3hye s VAL 12 Cb -0.02 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3hye s VAL 12 CO 0.01 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 174.83 3hye s ILE 13 N -0.08 2.41 -0.11 2.22 1.01 0.12 -0.88 121.20 125.90 3hye s ILE 13 Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3hye s ILE 13 Cb -0.14 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3hye s ILE 13 CO 0.04 0.55 -0.20 -0.76 0.00 0.00 0.00 174.94 174.57 3hye s LEU 14 N 0.23 2.33 -0.11 2.97 1.43 -0.65 -0.53 118.68 124.35 3hye s LEU 14 Ca -0.13 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3hye s LEU 14 Cb -0.16 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3hye s LEU 14 CO 0.07 0.17 -0.21 0.00 0.23 0.00 0.00 176.35 176.61 3hye s ALA 15 N 0.30 2.04 -0.02 4.21 0.00 -0.08 -1.32 121.76 126.89 3hye s ALA 15 Ca -0.15 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3hye s ALA 15 Cb -0.17 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.14 3hye s ALA 15 CO 0.07 0.15 -0.02 -1.12 0.00 0.00 0.00 175.76 174.85 3hye s SER 16 N 0.56 0.53 0.64 0.00 0.01 -0.66 -0.50 113.70 114.28 3hye s SER 16 Ca -0.14 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 3hye s SER 16 Cb -0.17 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 3hye s SER 16 CO 0.05 -0.05 1.10 -1.54 0.41 0.00 0.00 173.24 173.21 3hye n SER 17 N 3.77 1.25 0.00 2.44 3.41 -0.47 -0.87 113.62 123.15 3hye n SER 17 Ca -0.23 0.79 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3hye n SER 17 Cb 0.53 -1.46 -0.06 0.00 -0.26 0.00 0.00 64.21 62.96 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 -1.52 0.12 -2.71 4.33 5.02 -0.53 -4.63 118.16 118.24 3hye n LYS 18 Ca 0.15 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 56.07 3hye n LYS 18 Cb 0.48 -1.52 -0.06 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 -0.74 -0.63 121.76 127.91 3hye s ALA 19 Ca 0.06 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 3hye s ALA 19 Cb 0.16 -3.20 0.08 0.00 0.00 0.00 0.00 23.12 20.16 3hye s ALA 19 CO 0.84 -0.01 0.07 0.08 0.00 0.00 0.00 175.76 176.74 3hye s VAL 20 N -1.97 0.54 -0.17 0.00 1.01 -0.13 -4.89 120.40 114.78 3hye s VAL 20 Ca 0.61 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 3hye s VAL 20 Cb -0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3hye s VAL 20 CO 0.18 -0.44 0.05 -0.89 0.00 0.00 0.00 175.10 174.01 3hye s THR 21 N 1.82 4.72 -0.34 3.92 2.01 -1.26 -0.71 115.64 125.79 3hye s THR 21 Ca 0.04 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.00 3hye s THR 21 Cb -0.17 -3.12 0.10 0.00 0.01 0.00 0.00 72.50 69.33 3hye s THR 21 CO -0.18 0.47 0.09 -0.13 -0.69 0.00 0.00 174.62 174.18 3hye s ARG 22 N 0.28 1.25 6.38 4.92 1.81 -0.17 -4.94 118.95 128.48 3hye s ARG 22 Ca 0.03 -1.67 0.00 0.00 -1.72 0.00 0.00 55.73 52.38 3hye s ARG 22 Cb -0.12 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.60 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 4.35 1.81 0.11 -3.53 0.00 -1.26 -3.00 105.19 103.67 3hye n GLY 23 Ca 0.02 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.68 -0.61 6.09 -2.03 -3.48 117.51 113.80 3hye h ILE 24 Ca 0.00 -0.88 -0.68 0.00 -1.37 0.00 0.00 64.86 61.93 3hye h ILE 24 Cb 0.00 1.45 -0.21 0.00 0.47 0.00 0.00 36.82 38.53 3hye h ILE 24 CO 0.00 0.00 -0.85 -0.44 -3.07 0.00 0.00 178.15 173.79 3hye s SER 25 N -5.18 3.36 -0.55 2.19 0.01 -1.16 -5.08 113.70 107.29 3hye s SER 25 Ca 0.02 -0.78 -0.21 0.00 1.31 0.00 0.00 55.95 56.28 3hye s SER 25 Cb 0.10 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.15 3hye s SER 25 CO 0.76 0.16 0.76 -0.69 0.41 0.00 0.00 173.24 174.65 3hye s VAL 26 N -1.25 4.67 0.20 3.43 1.01 -1.26 -1.00 120.40 126.20 3hye s VAL 26 Ca 0.16 -0.31 0.14 0.00 0.00 0.00 0.00 61.98 61.97 3hye s VAL 26 Cb -0.09 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.89 3hye s VAL 26 CO 0.07 -1.00 1.64 -0.07 0.00 0.00 0.00 175.10 175.73 3hye h LEU 27 N 10.29 0.00 -7.37 3.92 3.38 -1.28 -3.46 115.31 120.79 3hye h LEU 27 Ca -0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 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 1.04 0.54 -0.18 -0.75 0.09 0.00 0.00 178.44 179.17 3hye s LYS 28 N -3.53 0.68 -0.09 1.13 2.20 -1.15 -4.99 119.74 113.98 3hye s LYS 28 Ca -0.00 0.11 0.18 0.00 -0.36 0.00 0.00 55.97 55.89 3hye s LYS 28 Cb 0.12 0.31 0.38 0.00 -1.51 0.00 0.00 37.83 37.13 3hye s LYS 28 CO 0.73 -0.17 1.18 -0.40 -0.36 0.00 0.00 175.35 176.33 3hye n ASP 29 N 1.67 1.30 -1.18 1.43 3.85 -1.25 -0.96 116.55 121.41 3hye n ASP 29 Ca -0.19 -2.84 0.02 0.00 -0.71 0.00 0.00 54.79 51.07 3hye n ASP 29 Cb 0.56 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 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 -0.31 0.50 -4.70 -1.12 3.41 -0.99 -4.65 113.62 105.76 3hye n SER 30 Ca 0.11 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 3hye n SER 30 Cb 0.90 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.58 7.15 -0.56 4.04 -1.08 0.20 -4.99 116.67 119.84 3hye s ASP 31 Ca 0.21 1.84 -0.16 0.00 -0.52 0.00 0.00 52.55 53.92 3hye s ASP 31 Cb 0.24 -2.57 0.13 0.00 -1.46 0.00 0.00 42.92 39.27 3hye s ASP 31 CO -0.11 -0.45 0.53 -0.62 0.52 0.00 0.00 175.17 175.05 3hye s ASP 32 N 1.17 6.22 -1.08 -0.34 3.68 -1.26 -4.26 116.67 120.81 3hye s ASP 32 Ca 0.56 -1.81 -0.08 0.00 2.13 0.00 0.00 52.55 53.35 3hye s ASP 32 Cb -0.25 -2.22 -0.08 0.00 -1.45 0.00 0.00 42.92 38.92 3hye s ASP 32 CO 0.26 -0.87 3.01 0.29 0.13 0.00 0.00 175.17 177.99 3hye n LYS 33 N 5.27 3.35 -3.78 4.34 5.02 -1.26 -4.85 118.16 126.25 3hye n LYS 33 Ca -0.12 -2.15 -0.10 0.00 -2.02 0.00 0.00 58.31 53.91 3hye n LYS 33 Cb 0.41 -2.52 -0.07 0.00 -0.02 0.00 0.00 35.03 32.83 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 0.90 0.10 -0.06 -0.18 -1.32 -1.26 -2.26 115.64 111.56 3hye s THR 34 Ca 0.65 -0.85 -0.03 0.00 -1.21 0.00 0.00 61.69 60.26 3hye s THR 34 Cb 0.23 -1.11 0.03 0.00 -1.51 0.00 0.00 72.50 70.15 3hye s THR 34 CO -0.07 -0.47 0.14 -0.13 -2.21 0.00 0.00 174.62 171.89 3hye s ARG 35 N -3.20 0.11 -0.25 7.08 1.81 -0.38 -5.01 118.95 119.12 3hye s ARG 35 Ca -0.00 0.30 -0.26 0.00 -1.72 0.00 0.00 55.73 54.05 3hye s ARG 35 Cb 0.01 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.42 3hye s ARG 35 CO -0.07 -0.12 0.88 -1.14 -0.68 0.00 0.00 175.30 174.17 3hye s GLN 36 N 0.80 4.17 0.13 3.54 0.74 -1.26 -1.63 119.66 126.14 3hye s GLN 36 Ca -0.06 1.00 0.15 0.00 0.05 0.00 0.00 55.36 56.49 3hye s GLN 36 Cb -0.08 -3.66 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 3hye s GLN 36 CO -0.04 -0.58 1.06 -0.07 -0.55 0.00 0.00 175.29 175.10 3hye h LEU 37 N 9.33 0.00 -7.39 3.68 3.38 -1.45 -3.47 115.31 119.38 3hye h LEU 37 Ca -0.22 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.90 3hye h LEU 37 Cb 1.08 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 3hye h LEU 37 CO 0.91 0.64 0.49 -0.94 0.09 0.00 0.00 178.44 179.63 3hye s SER 38 N -6.13 -0.25 0.50 -0.43 1.04 -1.14 -4.22 113.70 103.08 3hye s SER 38 Ca -0.00 -0.24 0.33 0.00 0.48 0.00 0.00 55.95 56.52 3hye s SER 38 Cb 0.08 0.44 1.46 0.00 0.10 0.00 0.00 66.02 68.11 3hye s SER 38 CO 0.79 -0.78 1.76 1.55 0.98 0.00 0.00 173.24 177.54 3hye h PRO 39 N 2.00 0.09 -0.11 4.02 0.13 -2.01 -1.68 132.00 134.45 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 1.24 -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 0.33 -3.93 1.56 8.25 -1.26 -3.67 115.22 112.20 3hye n HIS 40 Ca 0.28 -0.87 -0.21 0.00 -0.26 0.00 0.00 57.72 56.67 3hye n HIS 40 Cb 1.25 -0.18 -0.17 0.00 1.12 0.00 0.00 29.99 32.01 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 -2.52 0.38 0.03 1.59 2.01 -0.63 -0.74 115.64 115.76 3hye s THR 41 Ca 0.31 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.43 3hye s THR 41 Cb 0.26 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 3hye s THR 41 CO 0.05 0.22 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.75 3hye s LEU 42 N 1.42 2.13 -0.07 4.42 2.96 0.11 -1.05 118.68 128.61 3hye s LEU 42 Ca -0.03 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 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 0.25 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.81 3hye s MET 43 N -1.01 1.65 0.18 1.98 -2.45 -0.65 -0.39 119.30 118.62 3hye s MET 43 Ca 0.10 -0.39 0.06 0.00 -1.25 0.00 0.00 55.69 54.21 3hye s MET 43 Cb -0.09 -1.39 -0.04 0.00 1.25 0.00 0.00 34.83 34.55 3hye s MET 43 CO 0.01 0.00 0.08 -1.54 1.05 0.00 0.00 175.02 174.63 3hye s SER 44 N 0.75 5.20 0.04 1.11 1.04 -0.23 -1.24 113.70 120.36 3hye s SER 44 Ca -0.13 -0.26 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 3hye s SER 44 Cb -0.16 -1.26 0.04 0.00 0.10 0.00 0.00 66.02 64.75 3hye s SER 44 CO 0.03 0.07 0.42 0.72 0.98 0.00 0.00 173.24 175.46 3hye s PHE 45 N -1.78 -0.28 -0.07 5.02 -0.12 -0.96 -1.61 117.98 118.17 3hye s PHE 45 Ca 0.30 0.27 -0.16 0.00 -0.05 0.00 0.00 56.93 57.29 3hye s PHE 45 Cb -0.09 0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.56 3hye s PHE 45 CO 0.21 -0.57 0.39 0.00 -0.05 0.00 0.00 175.22 175.20 3hye s ALA 46 N -2.37 -0.97 0.00 1.99 0.00 -0.63 -4.88 121.76 114.90 3hye s ALA 46 Ca -0.06 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3hye s ALA 46 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3hye s ALA 46 CO -0.02 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3hye n GLY 47 N 1.87 -0.32 3.73 0.00 0.00 -1.26 -0.69 105.19 108.51 3hye n GLY 47 Ca -0.18 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 4.12 0.02 1.61 2.56 -0.03 -4.87 118.70 120.12 3hye s GLU 48 Ca 0.00 2.60 -0.03 0.00 0.00 0.00 0.00 54.97 57.54 3hye s GLU 48 Cb 0.00 -3.06 -0.01 0.00 2.00 0.00 0.00 34.13 33.06 3hye s GLU 48 CO 0.00 -0.72 0.39 0.00 -0.56 0.00 0.00 175.26 174.37 3hye n ALA 49 N 3.50 -0.07 0.01 6.30 0.00 -1.26 -1.91 120.51 127.08 3hye n ALA 49 Ca 0.14 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 3hye n ALA 49 Cb 0.36 0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 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 0.12 0.70 0.00 0.00 -1.99 -3.37 103.07 98.53 3hye h GLY 50 Ca 0.02 -0.30 0.10 0.00 0.00 0.00 0.00 47.33 47.15 3hye h GLY 50 CO -0.10 0.27 0.57 -0.55 0.00 0.00 0.00 176.54 176.72 3hye h ASP 51 N 0.03 0.78 -0.10 0.19 3.32 -1.86 -2.91 116.42 115.87 3hye h ASP 51 Ca -0.28 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.82 3hye h ASP 51 Cb 2.00 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 41.36 3hye h ASP 51 CO 0.10 0.45 -0.44 0.00 -1.72 0.00 0.00 179.24 177.63 3hye h THR 52 N 0.86 0.00 -0.17 0.35 1.03 -1.55 0.72 112.91 114.15 3hye h THR 52 Ca 0.42 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.61 3hye h THR 52 Cb 0.44 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.53 3hye h THR 52 CO -0.18 0.00 -0.71 0.58 -0.01 0.00 0.00 175.52 175.20 3hye h VAL 53 N -0.48 1.30 -0.91 0.00 2.07 -1.80 -2.51 116.25 113.93 3hye h VAL 53 Ca 0.02 -1.94 0.06 0.00 0.82 0.00 0.00 66.70 65.66 3hye h VAL 53 Cb 0.55 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 3hye h VAL 53 CO -0.35 0.61 0.58 1.56 0.02 0.00 0.00 177.57 179.99 3hye h GLN 54 N 0.51 1.04 0.02 1.57 1.08 -1.38 0.72 115.11 118.67 3hye h GLN 54 Ca -0.03 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3hye h GLN 54 Cb 1.31 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3hye h GLN 54 CO 0.14 0.69 -0.01 0.35 -0.95 0.00 0.00 178.83 179.05 3hye h PHE 55 N 1.07 -0.03 -0.28 2.96 3.04 -0.82 -1.67 116.94 121.21 3hye h PHE 55 Ca 0.39 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.40 3hye h PHE 55 Cb 0.13 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.58 3hye h PHE 55 CO -0.02 0.41 -0.17 0.00 -2.02 0.00 0.00 178.31 176.50 3hye h ALA 56 N 0.48 0.02 -0.11 2.41 0.00 -1.01 -0.22 119.26 120.83 3hye h ALA 56 Ca -0.00 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hye h ALA 56 Cb 0.45 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3hye h ALA 56 CO 0.01 -0.58 -0.26 0.93 0.00 0.00 0.00 179.25 179.35 3hye h GLU 57 N -0.15 0.20 -0.30 0.00 5.08 -0.92 0.09 114.58 118.59 3hye h GLU 57 Ca 0.15 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3hye h GLU 57 Cb 0.37 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3hye h GLU 57 CO -0.37 0.45 0.02 -0.92 -1.00 0.00 0.00 179.01 177.19 3hye h TYR 58 N 0.18 0.55 -0.35 4.33 3.20 -0.36 -0.11 116.97 124.41 3hye h TYR 58 Ca 0.03 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 3hye h TYR 58 Cb 0.56 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3hye h TYR 58 CO 0.01 0.62 0.08 0.82 -1.64 0.00 0.00 178.16 178.05 3hye h ILE 59 N 0.31 1.23 -0.44 1.81 1.08 -0.74 -2.17 117.51 118.59 3hye h ILE 59 Ca 0.09 -0.78 0.06 0.00 -0.39 0.00 0.00 64.86 63.84 3hye h ILE 59 Cb 0.39 1.07 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 3hye h ILE 59 CO 0.01 0.26 0.14 -0.61 -0.69 0.00 0.00 178.15 177.26 3hye h GLN 60 N 0.41 0.29 -0.46 2.37 4.15 -0.84 -0.75 115.11 120.28 3hye h GLN 60 Ca 0.11 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.56 3hye h GLN 60 Cb 0.32 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 3hye h GLN 60 CO 0.00 0.19 0.21 0.00 -1.93 0.00 0.00 178.83 177.30 3hye h ALA 61 N 1.30 0.57 -0.75 3.38 0.00 -0.81 -1.43 119.26 121.53 3hye h ALA 61 Ca 0.21 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hye h ALA 61 Cb 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hye h ALA 61 CO -0.23 -0.16 0.28 -0.91 0.00 0.00 0.00 179.25 178.24 3hye h ASN 62 N 0.42 1.05 -0.27 0.00 4.21 -0.69 -1.46 115.58 118.83 3hye h ASN 62 Ca 0.20 -0.18 -0.08 0.00 1.21 0.00 0.00 56.30 57.45 3hye h ASN 62 Cb 0.14 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 3hye h ASN 62 CO -0.16 0.95 -0.13 0.40 -1.29 0.00 0.00 177.43 177.19 3hye h ILE 63 N 1.09 1.30 -0.80 2.81 1.08 -0.84 -1.77 117.51 120.37 3hye h ILE 63 Ca 0.25 -1.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.52 3hye h ILE 63 Cb 0.24 1.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 3hye h ILE 63 CO -0.02 0.38 0.53 1.56 -0.69 0.00 0.00 178.15 179.91 3hye h GLN 64 N 0.31 1.02 -0.57 2.37 4.20 -1.16 0.29 115.11 121.56 3hye h GLN 64 Ca 0.06 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3hye h GLN 64 Cb 0.64 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3hye h GLN 64 CO 0.04 0.67 0.11 1.25 -0.67 0.00 0.00 178.83 180.23 3hye h LEU 65 N 1.05 0.90 -0.48 1.46 5.85 -1.09 -2.06 115.31 120.94 3hye h LEU 65 Ca 0.30 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3hye h LEU 65 Cb -0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 3hye h LEU 65 CO -0.07 0.92 0.13 0.22 -0.34 0.00 0.00 178.44 179.30 3hye h TYR 66 N 0.84 0.80 -0.54 1.25 3.20 -0.40 -1.41 116.97 120.70 3hye h TYR 66 Ca 0.18 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.01 3hye h TYR 66 Cb 0.40 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 3hye h TYR 66 CO 0.03 0.71 0.25 0.77 -1.64 0.00 0.00 178.16 178.29 3hye h SER 67 N 0.65 0.33 -0.23 -2.11 0.02 -0.76 -1.09 113.55 110.36 3hye h SER 67 Ca 0.15 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3hye h SER 67 Cb 0.31 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3hye h SER 67 CO -0.00 0.22 -0.02 0.40 -1.14 0.00 0.00 176.83 176.29 3hye h ILE 68 N 0.48 1.27 -0.93 3.27 1.08 -1.17 0.48 117.51 121.99 3hye h ILE 68 Ca 0.25 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3hye h ILE 68 Cb 0.21 1.43 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 3hye h ILE 68 CO -0.20 0.30 0.59 -0.09 -0.69 0.00 0.00 178.15 178.05 3hye h ARG 69 N 0.18 1.24 -0.01 2.37 2.43 -0.92 -3.13 114.38 116.54 3hye h ARG 69 Ca 0.06 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hye h ARG 69 Cb 0.44 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hye h ARG 69 CO 0.02 0.85 -0.47 0.39 -1.51 0.00 0.00 179.97 179.24 3hye n GLU 70 N -4.40 1.34 -3.99 0.20 4.71 -0.44 -4.97 120.64 113.08 3hye n GLU 70 Ca 0.10 -0.84 -0.27 0.00 -0.01 0.00 0.00 57.16 56.14 3hye n GLU 70 Cb 0.04 -1.40 -0.02 0.00 -1.01 0.00 0.00 31.44 29.05 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 -0.20 -1.02 -3.62 1.62 4.64 0.17 -4.93 116.55 113.20 3hye n ASP 71 Ca 0.08 -0.99 -0.13 0.00 -1.38 0.00 0.00 54.79 52.36 3hye n ASP 71 Cb 0.41 -3.06 -0.06 0.00 -1.04 0.00 0.00 41.12 37.37 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 -3.82 -0.34 -0.28 -0.67 5.04 -1.10 -5.06 117.35 111.12 3hye s TYR 72 Ca 0.16 0.36 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 3hye s TYR 72 Cb -0.08 0.28 -0.00 0.00 0.35 0.00 0.00 41.96 42.50 3hye s TYR 72 CO 0.89 -0.60 0.08 -2.00 -1.34 0.00 0.00 175.55 172.58 3hye s GLU 73 N -2.40 3.26 0.48 4.97 2.12 -1.26 -4.19 118.70 121.67 3hye s GLU 73 Ca -0.06 -0.75 -0.24 0.00 0.36 0.00 0.00 54.97 54.29 3hye s GLU 73 Cb -0.01 -3.37 -0.08 0.00 0.26 0.00 0.00 34.13 30.93 3hye s GLU 73 CO -0.02 -0.38 1.32 1.28 -0.54 0.00 0.00 175.26 176.93 3hye n LEU 74 N 4.89 4.76 -4.75 2.70 4.77 -1.26 -4.96 117.00 123.16 3hye n LEU 74 Ca -0.15 1.05 -0.34 0.00 -0.03 0.00 0.00 56.01 56.54 3hye n LEU 74 Cb 0.49 -1.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.09 3hye n LEU 74 CO 0.32 -0.59 0.79 -0.94 -1.33 0.00 0.00 177.39 175.64 3hye s SER 75 N -0.69 4.85 0.31 -1.43 1.04 -1.26 -4.77 113.70 111.75 3hye s SER 75 Ca 0.65 2.22 0.05 0.00 0.48 0.00 0.00 55.95 59.36 3hye s SER 75 Cb -0.46 -2.58 0.70 0.00 0.10 0.00 0.00 66.02 63.78 3hye s SER 75 CO 0.54 -1.82 1.82 -0.65 0.98 0.00 0.00 173.24 174.12 3hye h PRO 76 N 0.19 0.81 -0.69 4.02 0.11 -1.93 0.07 132.00 134.58 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 1.28 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3hye h PRO 76 CO 0.53 0.53 0.23 0.37 -0.21 0.00 0.00 178.00 179.45 3hye h GLN 77 N 0.83 1.07 -0.49 1.05 -0.00 -1.98 -1.03 115.11 114.56 3hye h GLN 77 Ca 0.52 -0.22 -0.05 0.00 -0.00 0.00 0.00 58.65 58.89 3hye h GLN 77 Cb 0.71 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 3hye h GLN 77 CO -0.29 0.91 0.09 0.00 0.00 0.00 0.00 178.83 179.55 3hye h ALA 78 N 1.10 0.65 -0.73 3.38 0.00 -1.39 -1.78 119.26 120.49 3hye h ALA 78 Ca 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hye h ALA 78 Cb 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hye h ALA 78 CO -0.01 0.36 0.22 0.28 0.00 0.00 0.00 179.25 180.10 3hye h VAL 79 N 0.68 1.26 -0.31 0.00 2.07 -0.89 -1.84 116.25 117.22 3hye h VAL 79 Ca 0.15 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 3hye h VAL 79 Cb 0.37 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3hye h VAL 79 CO 0.01 0.36 -0.26 0.77 0.02 0.00 0.00 177.57 178.46 3hye h SER 80 N 1.08 0.62 -0.13 0.57 4.64 -1.03 -1.57 113.55 117.74 3hye h SER 80 Ca 0.23 -0.23 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3hye h SER 80 Cb 0.32 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3hye h SER 80 CO -0.01 0.86 -0.33 0.28 -0.87 0.00 0.00 176.83 176.77 3hye h SER 81 N 0.53 0.65 -0.39 4.97 0.02 -1.04 0.14 113.55 118.43 3hye h SER 81 Ca 0.07 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3hye h SER 81 Cb 0.73 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3hye h SER 81 CO 0.06 0.93 0.13 0.15 -1.14 0.00 0.00 176.83 176.96 3hye h PHE 82 N 0.53 0.62 -0.56 3.45 3.04 -1.05 -1.61 116.94 121.36 3hye h PHE 82 Ca 0.06 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 3hye h PHE 82 Cb 0.82 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 3hye h PHE 82 CO 0.04 0.57 0.13 0.28 -2.02 0.00 0.00 178.31 177.31 3hye h VAL 83 N 0.49 1.25 -0.48 1.41 2.07 -1.00 -2.06 116.25 117.93 3hye h VAL 83 Ca 0.13 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3hye h VAL 83 Cb 0.24 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3hye h VAL 83 CO -0.01 0.33 0.32 -0.09 0.02 0.00 0.00 177.57 178.14 3hye h ARG 84 N 0.80 0.63 -0.86 1.57 2.43 -0.53 -1.89 114.38 116.54 3hye h ARG 84 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3hye h ARG 84 Cb 0.36 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3hye h ARG 84 CO 0.00 0.42 0.55 0.37 -1.51 0.00 0.00 179.97 179.81 3hye h GLN 85 N 0.65 1.14 -0.76 0.20 4.15 -1.12 0.15 115.11 119.52 3hye h GLN 85 Ca 0.18 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hye h GLN 85 Cb -0.07 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.33 3hye h GLN 85 CO -0.04 0.78 0.48 0.93 -1.93 0.00 0.00 178.83 179.05 3hye h GLU 86 N 1.17 1.02 -0.18 1.69 4.39 -0.92 -1.49 114.58 120.26 3hye h GLU 86 Ca 0.31 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.75 3hye h GLU 86 Cb -0.10 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.33 3hye h GLU 86 CO -0.06 0.70 -0.63 -0.07 -1.16 0.00 0.00 179.01 177.78 3hye h LEU 87 N 1.04 0.75 -1.84 1.33 3.38 -0.73 -2.34 115.31 116.90 3hye h LEU 87 Ca 0.28 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3hye h LEU 87 Cb -0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3hye h LEU 87 CO -0.06 1.19 -0.11 0.00 0.09 0.00 0.00 178.44 179.55 3hye h ALA 88 N 0.81 1.19 0.01 1.53 0.00 -0.38 -1.33 119.26 121.09 3hye h ALA 88 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hye h ALA 88 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hye h ALA 88 CO 0.12 0.14 -0.07 0.87 0.00 0.00 0.00 179.25 180.32 3hye h LYS 89 N 0.00 0.03 -0.91 0.00 1.57 -1.13 -3.34 116.57 112.78 3hye h LYS 89 Ca -0.00 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 3hye h LYS 89 Cb 0.39 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 3hye h LYS 89 CO 0.01 0.93 0.58 1.03 -0.57 0.00 0.00 179.45 181.44 3hye h SER 90 N -0.85 0.72 0.18 0.86 0.87 -1.03 -2.27 113.55 112.04 3hye h SER 90 Ca -0.01 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3hye h SER 90 Cb 0.96 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3hye h SER 90 CO 0.01 0.37 -0.06 -0.29 -0.53 0.00 0.00 176.83 176.33 3hye h ILE 90 N 0.77 0.55 -0.40 2.23 -0.00 -1.37 -1.85 117.51 117.44 3hye h ILE 90 Ca 0.45 -0.27 0.00 0.00 -0.00 0.00 0.00 64.86 65.04 3hye h ILE 90 Cb 0.64 1.17 0.00 0.00 -0.00 0.00 0.00 36.82 38.64 3hye h ILE 90 CO -0.22 0.06 0.00 0.54 -0.00 0.00 0.00 178.15 178.53 3hye n ARG 90 N -3.75 3.39 -2.83 2.19 1.74 -0.86 -4.84 116.66 111.71 3hye n ARG 90 Ca -0.02 -2.77 -0.22 0.00 -0.77 0.00 0.00 57.85 54.07 3hye n ARG 90 Cb 0.16 -1.82 0.09 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.40 4.68 0.12 0.55 1.04 -0.69 -5.03 113.70 112.97 3hye s SER 91 Ca 0.43 -0.66 -0.29 0.00 0.48 0.00 0.00 55.95 55.91 3hye s SER 91 Cb 0.31 0.23 -0.07 0.00 0.10 0.00 0.00 66.02 66.60 3hye s SER 91 CO 0.14 -1.64 1.61 -0.09 0.98 0.00 0.00 173.24 174.23 3hye h ARG 92 N -0.19 -0.52 -3.52 4.02 2.43 -1.94 -3.36 114.38 111.29 3hye h ARG 92 Ca -0.32 0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.29 3hye h ARG 92 Cb 1.28 0.12 -0.40 0.00 -0.42 0.00 0.00 29.97 30.54 3hye h ARG 92 CO 0.39 -0.35 -0.75 0.50 -1.51 0.00 0.00 179.97 178.26 3hye s ARG 93 N -5.97 0.95 0.60 0.20 3.52 -1.26 -5.13 118.95 111.85 3hye s ARG 93 Ca -0.16 -1.41 -0.20 0.00 -0.13 0.00 0.00 55.73 53.83 3hye s ARG 93 Cb 0.08 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 31.24 3hye s ARG 93 CO 0.64 -1.03 1.29 -2.14 -0.81 0.00 0.00 175.30 173.26 3hye s PRO 94 N 1.20 2.88 -0.26 5.12 0.02 -1.25 -4.96 135.00 137.74 3hye s PRO 94 Ca 0.12 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.91 3hye s PRO 94 Cb -0.19 -2.02 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 3hye s PRO 94 CO -0.16 -1.34 1.27 0.71 -0.33 0.00 0.00 177.00 177.14 3hye s TYR 95 N -1.41 2.78 -1.18 6.54 2.02 -1.26 -4.94 117.35 119.90 3hye s TYR 95 Ca 0.77 0.94 -0.09 0.00 -0.37 0.00 0.00 57.07 58.33 3hye s TYR 95 Cb -0.37 -3.77 0.23 0.00 -0.40 0.00 0.00 41.96 37.65 3hye s TYR 95 CO 0.41 -1.61 1.52 1.04 -1.57 0.00 0.00 175.55 175.34 3hye n GLN 96 N 7.07 3.77 -4.30 -0.62 6.02 -1.26 -4.83 117.38 123.23 3hye n GLN 96 Ca 0.14 -4.05 -0.19 0.00 -0.01 0.00 0.00 57.00 52.89 3hye n GLN 96 Cb 0.46 -2.77 -0.15 0.00 1.02 0.00 0.00 30.24 28.79 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 -0.49 0.66 0.00 5.09 1.01 -1.26 -0.85 120.40 124.57 3hye s VAL 97 Ca 0.36 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.10 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 0.22 -0.12 0.20 0.00 0.00 0.00 175.10 175.41 3hye s ASN 98 N 0.27 4.24 0.08 3.32 0.01 0.13 -2.61 114.94 120.39 3hye s ASN 98 Ca -0.04 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 51.88 3hye s ASN 98 Cb -0.09 -0.89 -0.04 0.00 0.41 0.00 0.00 41.25 40.65 3hye s ASN 98 CO 0.00 0.29 -0.04 0.68 -1.51 0.00 0.00 177.10 176.52 3hye s VAL 99 N -0.91 0.48 -0.07 1.60 -7.23 0.19 -1.61 120.40 112.86 3hye s VAL 99 Ca 0.15 -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 0.01 0.00 0.56 0.00 0.00 36.38 35.18 3hye s VAL 99 CO 0.05 -0.89 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.03 3hye s LEU 100 N -3.00 1.82 -0.22 1.32 1.43 -0.63 -1.52 118.68 117.87 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 -1.01 0.04 0.00 0.03 0.00 0.00 46.19 45.31 3hye s LEU 100 CO -0.06 0.09 -0.14 -0.63 0.23 0.00 0.00 176.35 175.84 3hye s ILE 101 N 0.44 2.24 -0.20 -0.59 1.01 0.12 -1.06 121.20 123.16 3hye s ILE 101 Ca -0.13 -1.24 -0.04 0.00 0.00 0.00 0.00 60.65 59.24 3hye s ILE 101 Cb -0.15 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3hye s ILE 101 CO 0.05 0.25 -0.03 -0.83 0.00 0.00 0.00 174.94 174.37 3hye s GLY 102 N 1.22 1.66 0.04 6.18 0.00 0.48 0.06 107.32 116.96 3hye s GLY 102 Ca -0.02 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.61 3hye s GLY 102 CO -0.08 0.24 0.11 -0.32 0.00 0.00 0.00 173.10 173.04 3hye s GLY 103 N 1.05 0.15 -0.26 0.20 0.00 -0.04 0.08 107.32 108.51 3hye s GLY 103 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 44.72 44.17 3hye s GLY 103 CO 0.01 -0.65 0.02 -0.47 0.00 0.00 0.00 173.10 172.01 3hye s TYR 104 N -2.59 3.07 0.00 1.90 6.14 0.08 0.20 117.35 126.16 3hye s TYR 104 Ca -0.05 -0.96 0.00 0.00 0.64 0.00 0.00 57.07 56.70 3hye s TYR 104 Cb -0.01 -2.18 0.00 0.00 0.42 0.00 0.00 41.96 40.19 3hye s TYR 104 CO -0.04 -0.56 0.00 -3.47 0.64 0.00 0.00 175.55 172.12 3hye n ASP 105 N 4.83 0.00 0.00 4.32 4.64 -0.67 -4.85 116.55 124.83 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 -3.47 -0.67 5.02 -1.26 -2.73 118.16 115.05 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 -2.11 0.08 0.00 -0.02 0.00 0.00 35.03 32.98 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 -1.94 -3.79 4.39 3.02 -1.26 -5.02 115.26 110.65 3hye n ASN 106 Ca 0.00 -0.65 -0.13 0.00 -0.03 0.00 0.00 54.58 53.77 3hye n ASN 106 Cb 0.00 -4.95 -0.11 0.00 -0.61 0.00 0.00 39.78 34.11 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 -5.45 0.32 0.45 3.52 1.02 -1.10 -5.07 119.74 113.42 3hye s LYS 107 Ca 0.01 0.26 -0.20 0.00 0.02 0.00 0.00 55.97 56.06 3hye s LYS 107 Cb -0.00 0.15 -0.10 0.00 -0.52 0.00 0.00 37.83 37.36 3hye s LYS 107 CO 0.74 -0.05 0.95 -1.25 -0.92 0.00 0.00 175.35 174.83 3hye s PRO 108 N -0.05 4.14 0.00 -1.68 0.04 -1.26 -1.66 135.00 134.54 3hye s PRO 108 Ca -0.02 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.08 3hye s PRO 108 Cb -0.02 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 3hye s PRO 108 CO 0.01 -0.08 -0.01 -1.21 0.04 0.00 0.00 177.00 175.75 3hye s GLU 109 N -3.40 0.05 -0.14 4.56 2.02 0.13 -4.92 118.70 116.99 3hye s GLU 109 Ca 0.61 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.57 3hye s GLU 109 Cb -0.09 -0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.13 3hye s GLU 109 CO 0.18 0.01 -0.16 -1.17 0.02 0.00 0.00 175.26 174.14 3hye s LEU 110 N -0.08 1.77 -0.09 1.80 2.96 -1.26 -0.86 118.68 122.93 3hye s LEU 110 Ca -0.01 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3hye s LEU 110 Cb -0.01 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 3hye s LEU 110 CO -0.00 -0.01 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.53 3hye s TYR 111 N 1.24 2.66 -0.17 5.38 2.02 0.11 -1.90 117.35 126.68 3hye s TYR 111 Ca -0.00 -0.59 -0.03 0.00 -0.37 0.00 0.00 57.07 56.08 3hye s TYR 111 Cb -0.14 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.69 3hye s TYR 111 CO -0.07 -0.14 -0.07 -1.14 -1.57 0.00 0.00 175.55 172.56 3hye s GLN 112 N -0.05 3.46 -0.05 -0.62 0.74 -0.36 0.14 119.66 122.92 3hye s GLN 112 Ca -0.05 -0.62 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 3hye s GLN 112 Cb -0.14 -2.87 0.03 0.00 1.10 0.00 0.00 33.01 31.13 3hye s GLN 112 CO 0.04 0.05 0.02 0.42 -0.55 0.00 0.00 175.29 175.27 3hye s ILE 113 N 0.83 0.14 0.75 -2.34 1.01 -0.58 -1.08 121.20 119.92 3hye s ILE 113 Ca -0.02 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 3hye s ILE 113 Cb -0.15 -0.31 0.13 0.00 0.01 0.00 0.00 42.46 42.13 3hye s ILE 113 CO 0.01 0.20 1.03 1.51 0.00 0.00 0.00 174.94 177.69 3hye s ASP 114 N 1.75 4.25 0.34 3.58 3.84 -0.77 -0.64 116.67 129.02 3hye s ASP 114 Ca 0.00 -0.16 0.24 0.00 -0.00 0.00 0.00 52.55 52.64 3hye s ASP 114 Cb -0.13 -0.23 1.24 0.00 -1.38 0.00 0.00 42.92 42.43 3hye s ASP 114 CO -0.03 -1.93 1.73 0.10 -0.00 0.00 0.00 175.17 175.03 3hye h TYR 115 N -0.68 0.00 -0.00 2.11 -0.00 -1.82 -1.43 116.97 115.15 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 0.00 178.16 178.95 3hye n LEU 116 N -2.33 0.43 0.00 0.10 4.77 -1.26 -4.59 117.00 114.11 3hye n LEU 116 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3hye n LEU 116 Cb 0.07 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3hye n LEU 116 CO 0.12 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3hye n GLY 117 N 1.41 0.96 3.51 -0.72 0.00 -0.54 -4.28 105.19 105.54 3hye n GLY 117 Ca 0.10 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 4.45 -0.07 2.61 2.01 -1.25 -4.82 115.64 116.58 3hye s THR 118 Ca 0.00 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3hye s THR 118 Cb 0.00 -4.50 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 3hye s THR 118 CO 0.00 -1.06 -0.04 -0.75 -0.69 0.00 0.00 174.62 172.08 3hye s LYS 119 N 3.77 2.82 -0.03 4.92 2.20 -1.26 -1.85 119.74 130.32 3hye s LYS 119 Ca 0.29 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.28 3hye s LYS 119 Cb -0.13 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.54 3hye s LYS 119 CO 0.19 0.67 0.24 0.54 -0.36 0.00 0.00 175.35 176.63 3hye s VAL 120 N -0.87 0.06 -0.13 4.02 0.11 -0.25 -5.01 120.40 118.34 3hye s VAL 120 Ca 0.13 -0.46 -0.05 0.00 -2.93 0.00 0.00 61.98 58.68 3hye s VAL 120 Cb -0.11 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3hye s VAL 120 CO 0.03 -0.25 0.05 -0.70 -3.33 0.00 0.00 175.10 170.89 3hye s GLU 121 N -1.05 3.47 0.15 1.54 2.12 -1.26 -1.23 118.70 122.45 3hye s GLU 121 Ca -0.11 -0.34 -0.07 0.00 0.36 0.00 0.00 54.97 54.81 3hye s GLU 121 Cb -0.05 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 3hye s GLU 121 CO 0.03 0.53 0.23 -0.51 -0.54 0.00 0.00 175.26 174.99 3hye s LEU 122 N -0.38 1.17 0.18 2.70 1.43 -0.80 -5.00 118.68 117.99 3hye s LEU 122 Ca 0.09 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 3hye s LEU 122 Cb -0.12 0.97 0.08 0.00 0.03 0.00 0.00 46.19 47.15 3hye s LEU 122 CO 0.02 -0.85 1.45 -0.65 0.23 0.00 0.00 176.35 176.55 3hye h PRO 123 N 2.63 0.39 -2.27 1.29 0.11 -1.90 -3.38 132.00 128.87 3hye h PRO 123 Ca -0.33 -0.31 -0.07 0.00 0.11 0.00 0.00 66.00 65.41 3hye h PRO 123 Cb 1.22 0.06 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 3hye h PRO 123 CO 0.51 0.94 0.09 1.52 -0.21 0.00 0.00 178.00 180.85 3hye s TYR 124 N -3.64 -0.55 0.36 0.65 1.13 -1.26 0.17 117.35 114.20 3hye s TYR 124 Ca -0.05 0.90 -0.16 0.00 -1.41 0.00 0.00 57.07 56.35 3hye s TYR 124 Cb 0.11 0.35 0.04 0.00 -1.10 0.00 0.00 41.96 41.36 3hye s TYR 124 CO 0.83 -0.57 0.75 0.20 -2.51 0.00 0.00 175.55 174.25 3hye s GLY 125 N -1.30 0.33 0.23 5.49 0.00 -0.30 -5.00 107.32 106.77 3hye s GLY 125 Ca -0.11 -0.70 -0.22 0.00 0.00 0.00 0.00 44.72 43.69 3hye s GLY 125 CO 0.08 -0.30 0.88 0.00 0.00 0.00 0.00 173.10 173.75 3hye s ALA 126 N -2.72 -1.39 0.13 3.20 0.00 -1.26 -1.47 121.76 118.24 3hye s ALA 126 Ca 0.15 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.99 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 -0.16 -1.01 0.00 0.00 0.00 175.76 173.66 3hye s HIS 127 N -3.17 1.58 0.00 0.00 3.76 -1.15 -4.81 115.29 111.51 3hye s HIS 127 Ca 0.14 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3hye s HIS 127 Cb -0.03 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 32.84 3hye s HIS 127 CO 0.05 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.57 3hye n GLY 128 N 0.53 0.65 0.02 -2.22 0.00 -1.26 -3.34 105.19 99.57 3hye n GLY 128 Ca -0.15 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 12.23 0.17 -0.25 1.61 4.01 -1.26 -4.29 117.16 129.38 3hye n TYR 129 Ca 0.00 0.05 0.06 0.00 -0.16 0.00 0.00 57.90 57.85 3hye n TYR 129 Cb 0.00 -0.37 0.19 0.00 -0.31 0.00 0.00 39.34 38.85 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 0.02 -0.42 7.72 0.02 -1.89 -0.13 113.55 118.86 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 0.59 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3hye h SER 130 CO 0.00 -0.04 0.28 1.23 -1.14 0.00 0.00 176.83 177.16 3hye h GLY 131 N 0.27 0.60 1.16 -3.77 0.00 -1.78 -2.39 103.07 97.16 3hye h GLY 131 Ca 0.43 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.57 3hye h GLY 131 CO -0.52 0.22 0.47 0.74 0.00 0.00 0.00 176.54 177.45 3hye h PHE 132 N 0.58 0.81 0.01 5.60 0.04 -1.29 -0.56 116.94 122.13 3hye h PHE 132 Ca 0.16 0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.63 3hye h PHE 132 Cb -0.06 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.77 3hye h PHE 132 CO 0.00 0.46 -1.86 0.66 -0.60 0.00 0.00 178.31 176.97 3hye n TYR 133 N -4.46 0.85 -0.07 -0.55 4.01 -1.05 -4.62 117.16 111.27 3hye n TYR 133 Ca 0.09 0.29 -0.07 0.00 -0.16 0.00 0.00 57.90 58.05 3hye n TYR 133 Cb 0.15 -1.15 -0.15 0.00 -0.31 0.00 0.00 39.34 37.87 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 -3.05 1.27 0.17 -0.72 -2.24 -0.93 -4.52 114.28 104.27 3hye n THR 134 Ca -0.21 -0.80 0.16 0.00 -2.27 0.00 0.00 64.05 60.92 3hye n THR 134 Cb 1.07 -0.53 0.76 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.01 4.78 0.04 -1.32 -0.54 116.94 119.88 3hye h PHE 135 Ca -0.42 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.21 3hye h PHE 135 Cb 2.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.17 3hye h PHE 135 CO 0.00 0.00 -0.64 0.66 -0.60 0.00 0.00 178.31 177.73 3hye h SER 136 N 0.00 0.07 -0.10 2.17 4.64 -1.80 0.49 113.55 119.03 3hye h SER 136 Ca 0.10 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 3hye h SER 136 Cb 0.48 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3hye h SER 136 CO -0.00 0.70 -0.48 -0.07 -0.87 0.00 0.00 176.83 176.11 3hye h LEU 137 N 0.04 0.59 -0.69 5.97 3.38 -1.40 -2.90 115.31 120.30 3hye h LEU 137 Ca -0.01 -0.64 -0.11 0.00 0.09 0.00 0.00 57.88 57.21 3hye h LEU 137 Cb 1.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3hye h LEU 137 CO 0.09 1.14 -0.14 -0.07 0.09 0.00 0.00 178.44 179.54 3hye h LEU 138 N 0.08 0.87 -1.83 1.67 3.38 -1.22 -0.92 115.31 117.34 3hye h LEU 138 Ca -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3hye h LEU 138 Cb 1.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hye h LEU 138 CO 0.10 1.01 -0.06 0.44 0.09 0.00 0.00 178.44 180.02 3hye h ASP 139 N 0.77 0.02 0.00 -0.43 3.32 -0.93 -1.69 116.42 117.49 3hye h ASP 139 Ca 0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hye h ASP 139 Cb 0.66 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3hye h ASP 139 CO 0.05 0.09 -0.06 -0.74 -1.72 0.00 0.00 179.24 176.86 3hye h HIS 140 N 0.02 0.00 -0.00 4.55 2.76 -1.19 -3.40 115.15 117.89 3hye h HIS 140 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3hye h HIS 140 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3hye h HIS 140 CO 0.00 0.00 -0.04 0.72 -1.30 0.00 0.00 177.93 177.31 3hye n HIS 141 N -4.38 0.00 -2.55 5.26 8.25 -0.41 -4.93 115.22 116.46 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 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.19 3.65 -0.02 4.41 5.04 -0.63 -5.04 117.35 122.56 3hye s TYR 142 Ca 0.38 1.67 -0.00 0.00 -2.44 0.00 0.00 57.07 56.68 3hye s TYR 142 Cb 0.21 -3.23 0.02 0.00 0.35 0.00 0.00 41.96 39.32 3hye s TYR 142 CO 0.40 -0.41 0.04 1.03 -1.34 0.00 0.00 175.55 175.27 3hye s ARG 143 N -0.64 -0.01 0.61 4.97 1.81 -1.26 -5.03 118.95 119.41 3hye s ARG 143 Ca 0.47 0.16 0.32 0.00 -1.72 0.00 0.00 55.73 54.96 3hye s ARG 143 Cb -0.29 -0.18 1.80 0.00 -0.45 0.00 0.00 34.95 35.84 3hye s ARG 143 CO 0.35 -0.13 2.14 -1.35 -0.68 0.00 0.00 175.30 175.64 3hye h PRO 144 N 6.99 0.00 -0.66 3.54 0.11 -1.96 -2.13 132.00 137.89 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 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 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 -3.57 3.62 -4.62 -2.05 3.85 -1.26 -3.32 116.55 109.20 3hye n ASP 145 Ca -0.00 -2.04 -0.38 0.00 -0.71 0.00 0.00 54.79 51.66 3hye n ASP 145 Cb 0.27 -0.45 0.05 0.00 -1.35 0.00 0.00 41.12 39.64 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 1.39 0.90 -2.55 0.11 2.81 -0.80 -4.63 117.12 114.34 3hye n MET 146 Ca 0.22 0.35 -0.24 0.00 -1.81 0.00 0.00 57.70 56.22 3hye n MET 146 Cb 0.58 -2.19 0.04 0.00 -0.71 0.00 0.00 33.22 30.95 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 -1.51 3.09 0.28 2.03 -4.23 -1.26 -1.49 115.64 112.55 3hye s THR 147 Ca 0.76 -0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 3hye s THR 147 Cb -0.41 -3.21 0.26 0.00 1.34 0.00 0.00 72.50 70.48 3hye s THR 147 CO 0.47 -0.18 1.94 0.74 -0.54 0.00 0.00 174.62 177.05 3hye h THR 148 N -0.08 1.20 -0.66 3.99 2.02 -1.97 -0.22 112.91 117.20 3hye h THR 148 Ca -0.44 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 3hye h THR 148 Cb 1.28 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3hye h THR 148 CO 0.57 0.22 0.23 -0.08 0.37 0.00 0.00 175.52 176.83 3hye h GLU 149 N 1.20 0.99 -0.38 6.66 4.57 -1.99 -0.94 114.58 124.69 3hye h GLU 149 Ca 0.34 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 58.20 3hye h GLU 149 Cb -0.09 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 3hye h GLU 149 CO -0.09 0.83 -0.33 0.93 -1.18 0.00 0.00 179.01 179.18 3hye h GLU 150 N 0.96 0.85 -0.62 1.92 5.08 -1.66 -2.42 114.58 118.69 3hye h GLU 150 Ca 0.22 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3hye h GLU 150 Cb 0.24 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3hye h GLU 150 CO -0.01 1.05 0.32 0.78 -1.00 0.00 0.00 179.01 180.15 3hye h GLY 151 N 0.89 0.93 1.71 -3.84 0.00 -0.58 -1.25 103.07 100.92 3hye h GLY 151 Ca 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3hye h GLY 151 CO 0.08 0.42 -0.03 1.41 0.00 0.00 0.00 176.54 178.42 3hye h LEU 152 N 0.84 0.34 -0.41 3.11 3.38 -1.06 -1.11 115.31 120.40 3hye h LEU 152 Ca 0.21 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 3hye h LEU 152 Cb 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hye h LEU 152 CO -0.03 0.43 -0.69 0.44 0.09 0.00 0.00 178.44 178.68 3hye h ASP 153 N 0.36 0.57 -0.34 -0.43 3.45 -0.92 -1.40 116.42 117.72 3hye h ASP 153 Ca 0.08 -0.36 -0.11 0.00 0.43 0.00 0.00 57.03 57.07 3hye h ASP 153 Cb 0.29 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3hye h ASP 153 CO 0.01 1.09 -0.24 0.25 -1.57 0.00 0.00 179.24 178.79 3hye h LEU 154 N 0.35 0.79 -0.38 1.55 5.85 -0.85 -2.32 115.31 120.31 3hye h LEU 154 Ca -0.02 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3hye h LEU 154 Cb 1.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3hye h LEU 154 CO 0.12 1.06 0.17 -0.07 -0.34 0.00 0.00 178.44 179.38 3hye h LEU 155 N 0.53 0.52 -0.89 2.25 3.38 -1.18 -1.42 115.31 118.50 3hye h LEU 155 Ca 0.07 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.03 3hye h LEU 155 Cb 0.80 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 3hye h LEU 155 CO 0.06 0.52 0.49 0.50 0.09 0.00 0.00 178.44 180.11 3hye h LYS 156 N 0.47 0.69 -0.53 1.13 3.64 -1.17 0.33 116.57 121.14 3hye h LYS 156 Ca 0.13 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3hye h LYS 156 Cb 0.16 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3hye h LYS 156 CO -0.01 0.46 0.16 1.25 -2.27 0.00 0.00 179.45 179.04 3hye h LEU 157 N 0.71 0.78 -0.31 5.20 5.85 -0.82 -1.29 115.31 125.43 3hye h LEU 157 Ca 0.48 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3hye h LEU 157 Cb 0.63 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hye h LEU 157 CO -0.34 0.79 0.17 0.00 -0.34 0.00 0.00 178.44 178.71 3hye h VAL 159 N 0.37 1.20 -0.61 0.00 2.07 -0.29 -1.05 116.25 117.95 3hye h VAL 159 Ca 0.11 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3hye h VAL 159 Cb 0.07 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3hye h VAL 159 CO -0.02 0.23 0.04 1.56 0.02 0.00 0.00 177.57 179.40 3hye h GLN 160 N 0.94 1.03 -0.66 1.57 4.20 -0.82 0.16 115.11 121.53 3hye h GLN 160 Ca 0.24 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3hye h GLN 160 Cb 0.03 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3hye h GLN 160 CO -0.04 0.99 0.10 1.49 -0.67 0.00 0.00 178.83 180.70 3hye h GLU 161 N 0.95 1.10 -0.64 1.46 4.57 -0.79 -1.71 114.58 119.52 3hye h GLU 161 Ca 0.18 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 3hye h GLU 161 Cb 0.50 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 3hye h GLU 161 CO 0.02 1.01 0.18 -0.07 -1.18 0.00 0.00 179.01 178.98 3hye h LEU 162 N 1.02 0.95 -1.15 1.64 3.38 -0.68 -1.34 115.31 119.12 3hye h LEU 162 Ca 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hye h LEU 162 Cb 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hye h LEU 162 CO 0.01 0.92 0.00 -0.33 0.09 0.00 0.00 178.44 179.13 3hye h GLU 163 N 0.93 0.00 0.01 1.13 5.08 -0.42 -1.83 114.58 119.49 3hye h GLU 163 Ca 0.20 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.31 3hye h GLU 163 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3hye h GLU 163 CO -0.00 0.00 -1.39 1.17 -1.00 0.00 0.00 179.01 177.79 3hye n LYS 164 N -2.77 0.58 0.05 2.33 4.81 -0.67 -4.67 118.16 117.82 3hye n LYS 164 Ca 0.01 0.54 0.08 0.00 -0.87 0.00 0.00 58.31 58.07 3hye n LYS 164 Cb 0.28 -1.73 -0.06 0.00 0.02 0.00 0.00 35.03 33.54 3hye n LYS 164 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3hye n ARG 165 N -4.36 0.63 -2.69 1.64 5.12 -0.56 -4.93 116.66 111.50 3hye n ARG 165 Ca -0.34 0.06 -0.41 0.00 -1.93 0.00 0.00 57.85 55.23 3hye n ARG 165 Cb 0.72 -1.74 -0.04 0.00 -1.16 0.00 0.00 32.46 30.24 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 -3.28 4.64 0.36 5.56 1.75 -0.69 -4.96 119.30 122.69 3hye s MET 166 Ca -0.03 1.48 0.05 0.00 -1.25 0.00 0.00 55.69 55.94 3hye s MET 166 Cb 0.10 -3.39 0.69 0.00 2.84 0.00 0.00 34.83 35.07 3hye s MET 166 CO 0.83 0.11 1.95 -1.35 -0.65 0.00 0.00 175.02 175.90 3hye h PRO 167 N 5.91 0.55 -6.39 4.11 0.11 -1.92 -3.45 132.00 130.93 3hye h PRO 167 Ca -0.42 -0.08 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 3hye h PRO 167 Cb 1.21 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3hye h PRO 167 CO 0.73 0.49 -0.10 -1.64 -0.21 0.00 0.00 178.00 177.27 3hye s MET 168 N -5.20 3.88 -0.53 1.05 -1.94 -1.26 -5.04 119.30 110.26 3hye s MET 168 Ca -0.08 0.37 -0.20 0.00 -1.71 0.00 0.00 55.69 54.07 3hye s MET 168 Cb 0.16 -2.77 0.06 0.00 2.01 0.00 0.00 34.83 34.30 3hye s MET 168 CO 0.75 0.38 0.70 0.34 -0.01 0.00 0.00 175.02 177.19 3hye s ASP 169 N -2.08 6.23 0.00 3.03 -1.08 -1.26 -4.90 116.67 116.61 3hye s ASP 169 Ca 0.43 -0.91 0.22 0.00 -0.52 0.00 0.00 52.55 51.77 3hye s ASP 169 Cb -0.13 -2.32 0.87 0.00 -1.46 0.00 0.00 42.92 39.88 3hye s ASP 169 CO 0.20 -1.00 1.62 2.22 0.52 0.00 0.00 175.17 178.73 3hye n PHE 170 N 6.45 0.15 -3.44 -5.34 1.16 -1.26 -4.91 117.46 110.27 3hye n PHE 170 Ca -0.06 -0.07 -0.20 0.00 -1.87 0.00 0.00 57.45 55.25 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 0.13 -6.92 -0.59 3.97 4.76 -1.26 -1.78 118.16 116.47 3hye n LYS 171 Ca 0.17 0.77 0.08 0.00 -2.87 0.00 0.00 58.31 56.45 3hye n LYS 171 Cb 0.30 -5.61 -0.02 0.00 -1.84 0.00 0.00 35.03 27.85 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 -1.62 -1.95 3.18 0.72 0.00 -1.26 -4.18 105.19 100.08 3hye n GLY 172 Ca -0.09 -1.31 -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 -1.27 0.96 -0.16 1.61 -7.23 -1.26 -1.45 120.40 111.60 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 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 3hye s VAL 173 CO 0.00 -0.58 0.07 -0.63 -0.31 0.00 0.00 175.10 173.65 3hye s ILE 174 N -2.55 4.90 -0.05 -0.62 1.01 -0.05 -4.87 121.20 118.98 3hye s ILE 174 Ca 0.07 -0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.75 3hye s ILE 174 Cb -0.02 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 3hye s ILE 174 CO -0.00 0.51 -0.16 -0.69 0.00 0.00 0.00 174.94 174.59 3hye s VAL 175 N -0.06 2.87 -0.01 2.92 1.01 -1.26 -1.66 120.40 124.21 3hye s VAL 175 Ca 0.07 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3hye s VAL 175 Cb -0.12 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 3hye s VAL 175 CO 0.01 0.58 -0.06 -0.54 0.00 0.00 0.00 175.10 175.09 3hye s LYS 176 N -0.57 0.51 -0.10 2.72 1.02 -0.43 -1.31 119.74 121.58 3hye s LYS 176 Ca 0.08 -0.22 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 3hye s LYS 176 Cb -0.11 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.67 3hye s LYS 176 CO 0.01 0.13 0.02 0.42 -0.92 0.00 0.00 175.35 175.01 3hye s ILE 177 N -0.11 4.51 -0.17 2.17 -1.09 0.26 -1.64 121.20 125.14 3hye s ILE 177 Ca 0.02 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 3hye s ILE 177 Cb -0.03 -2.92 0.03 0.00 -1.58 0.00 0.00 42.46 37.96 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 -0.78 1.55 0.11 2.92 1.01 -0.06 -1.52 120.40 123.63 3hye s VAL 178 Ca 0.12 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3hye s VAL 178 Cb -0.12 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3hye s VAL 178 CO 0.02 0.32 0.13 -0.90 0.00 0.00 0.00 175.10 174.68 3hye n ASP 179 N 4.75 -0.35 0.21 3.32 5.68 -0.15 -1.17 116.55 128.83 3hye n ASP 179 Ca -0.16 -1.65 0.15 0.00 -0.50 0.00 0.00 54.79 52.63 3hye n ASP 179 Cb 0.48 0.71 0.60 0.00 -1.14 0.00 0.00 41.12 41.77 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 0.24 116.57 117.07 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 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3hye h LYS 180 CO 0.12 0.00 -0.03 -0.25 -2.00 0.00 0.00 179.45 177.29 3hye n ASP 181 N -3.06 2.89 0.00 7.07 8.00 -1.26 -5.08 116.55 125.12 3hye n ASP 181 Ca 0.04 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.59 3hye n ASP 181 Cb 0.69 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 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 1.32 0.31 3.23 0.44 0.00 0.85 -5.02 105.19 106.32 3hye n GLY 183 Ca 0.13 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.28 2.27 0.07 -0.61 1.01 -1.24 -0.98 121.20 121.44 3hye s ILE 184 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3hye s ILE 184 Cb 0.00 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3hye s ILE 184 CO 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 174.94 175.40 3hye s ARG 185 N 0.54 0.69 -0.15 2.79 1.70 -0.58 -4.98 118.95 118.95 3hye s ARG 185 Ca -0.13 -1.00 -0.05 0.00 -0.47 0.00 0.00 55.73 54.09 3hye s ARG 185 Cb -0.17 -0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 33.83 3hye s ARG 185 CO 0.04 0.05 0.00 -1.14 -1.08 0.00 0.00 175.30 173.17 3hye s GLN 186 N -2.42 3.69 -1.15 3.89 0.74 -1.26 -0.57 119.66 122.58 3hye s GLN 186 Ca -0.01 -0.44 -0.21 0.00 0.05 0.00 0.00 55.36 54.76 3hye s GLN 186 Cb -0.05 -3.01 0.04 0.00 1.10 0.00 0.00 33.01 31.10 3hye s GLN 186 CO -0.01 0.32 1.64 0.08 -0.55 0.00 0.00 175.29 176.77 3hye s VAL 187 N 0.18 3.96 -1.31 1.34 1.01 -0.43 -4.82 120.40 120.34 3hye s VAL 187 Ca 0.01 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.75 3hye s VAL 187 Cb -0.13 -5.03 0.03 0.00 0.00 0.00 0.00 36.38 31.25 3hye s VAL 187 CO 0.02 -1.86 0.92 -0.90 0.00 0.00 0.00 175.10 173.28 3hye n ASP 188 N 9.32 0.00 -3.85 3.32 3.85 -1.26 -3.88 116.55 124.04 3hye n ASP 188 Ca 0.41 0.33 -0.28 0.00 -0.71 0.00 0.00 54.79 54.54 3hye n ASP 188 Cb 0.48 -0.35 -0.12 0.00 -1.35 0.00 0.00 41.12 39.79 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 -2.69 4.45 0.00 -1.12 -4.77 -1.26 -4.71 116.67 106.57 3hye s ASP 189 Ca 0.02 -3.71 0.00 0.00 -3.30 0.00 0.00 52.55 45.56 3hye s ASP 189 Cb 0.01 -1.51 0.00 0.00 -1.09 0.00 0.00 42.92 40.33 3hye s ASP 189 CO 0.03 -0.10 0.08 0.33 0.70 0.00 0.00 175.17 176.20 3hye n PHE 190 N 2.15 0.00 0.28 2.11 -0.00 -1.25 -4.27 117.46 116.47 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 40.11 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 -0.30 0.05 -2.66 -4.13 3.00 -1.26 -3.83 117.38 108.25 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 28.76 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 -3.48 1.29 -1.58 0.00 -1.26 -5.19 120.51 108.71 3hye n ALA 192 Ca 0.01 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.28 3hye n ALA 192 Cb 0.11 -3.26 0.35 0.00 0.00 0.00 0.00 19.45 16.64 3hye n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44