#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n SER 5 N 0.00 1.33 -0.25 1.61 7.64 -1.26 -4.33 113.62 118.36 3hye n SER 5 Ca 0.00 0.31 0.24 0.00 1.01 0.00 0.00 58.87 60.43 3hye n SER 5 Cb 0.00 -0.33 0.45 0.00 -1.01 0.00 0.00 64.21 63.32 3hye n SER 5 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3hye n ARG 6 N -3.20 -0.05 -0.31 1.43 0.63 -1.26 -0.16 116.66 113.74 3hye n ARG 6 Ca -0.24 1.10 0.14 0.00 -0.92 0.00 0.00 57.85 57.93 3hye n ARG 6 Cb 1.05 -1.95 0.33 0.00 0.45 0.00 0.00 32.46 32.34 3hye n ARG 6 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3hye h ARG 7 N 0.00 0.39 -0.14 -0.14 2.43 -2.08 -1.72 114.38 113.12 3hye h ARG 7 Ca 0.66 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 3hye h ARG 7 Cb 1.72 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 3hye h ARG 7 CO -0.62 0.26 0.00 0.66 -1.51 0.00 0.00 179.97 178.76 3hye n TYR 8 N -5.04 0.17 -2.54 2.20 4.02 0.78 -4.91 117.16 111.83 3hye n TYR 8 Ca 0.23 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 3hye n TYR 8 Cb 0.69 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.99 3hye n TYR 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hye s ASP 9 N -1.75 7.02 0.47 7.72 3.68 -0.65 -4.91 116.67 128.25 3hye s ASP 9 Ca 0.34 1.53 0.27 0.00 2.13 0.00 0.00 52.55 56.82 3hye s ASP 9 Cb 0.20 -2.54 0.78 0.00 -1.45 0.00 0.00 42.92 39.91 3hye s ASP 9 CO 0.30 -0.72 1.76 0.28 0.13 0.00 0.00 175.17 176.92 3hye h SER 10 N 7.85 0.00 -5.31 -0.34 0.02 -1.91 -3.48 113.55 110.37 3hye h SER 10 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3hye h SER 10 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3hye h SER 10 CO 0.98 0.07 -0.04 0.54 -1.14 0.00 0.00 176.83 177.23 3hye n ARG 11 N -3.14 -1.39 0.00 3.45 1.74 -1.26 -4.88 116.66 111.18 3hye n ARG 11 Ca 0.02 1.54 0.07 0.00 -0.77 0.00 0.00 57.85 58.71 3hye n ARG 11 Cb 0.45 -5.67 0.37 0.00 -1.02 0.00 0.00 32.46 26.58 3hye n ARG 11 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hye n THR 12 N -1.62 0.67 -2.50 0.55 -2.24 -1.26 -3.85 114.28 104.03 3hye n THR 12 Ca 0.01 0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.72 3hye n THR 12 Cb 0.50 -0.91 0.01 0.00 -2.10 0.00 0.00 70.33 67.82 3hye n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hye n THR 13 N -1.34 2.15 -4.49 4.28 -2.24 -1.26 -4.52 114.28 106.85 3hye n THR 13 Ca 0.06 -4.61 -0.24 0.00 -2.27 0.00 0.00 64.05 56.99 3hye n THR 13 Cb 0.14 -0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 67.32 3hye n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3hye s ILE 14 N -5.12 2.32 0.36 2.28 -4.36 -1.25 -4.87 121.20 110.56 3hye s ILE 14 Ca 0.45 -2.31 -0.12 0.00 -0.26 0.00 0.00 60.65 58.40 3hye s ILE 14 Cb 0.41 -2.43 -0.08 0.00 1.25 0.00 0.00 42.46 41.61 3hye s ILE 14 CO -0.15 -0.32 0.75 -0.36 0.24 0.00 0.00 174.94 175.10 3hye s PHE 15 N -2.59 3.42 0.57 1.37 0.08 -1.26 -4.02 117.98 115.54 3hye s PHE 15 Ca 0.31 1.12 -0.03 0.00 0.12 0.00 0.00 56.93 58.45 3hye s PHE 15 Cb -0.01 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 3hye s PHE 15 CO 0.15 -0.01 0.84 -1.54 -0.10 0.00 0.00 175.22 174.56 3hye s SER 16 N -2.74 5.46 0.64 1.36 1.04 0.33 -4.88 113.70 114.91 3hye s SER 16 Ca 0.52 0.42 0.33 0.00 0.48 0.00 0.00 55.95 57.71 3hye s SER 16 Cb -0.10 -1.40 1.82 0.00 0.10 0.00 0.00 66.02 66.43 3hye s SER 16 CO 0.25 -1.07 2.08 -0.65 0.98 0.00 0.00 173.24 174.82 3hye h PRO 17 N -0.05 0.00 -0.01 4.02 0.11 -1.99 0.34 132.00 134.42 3hye h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 17 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hye h PRO 17 CO 0.58 0.00 -0.18 0.39 -0.21 0.00 0.00 178.00 178.58 3hye n GLU 18 N -3.25 1.01 -1.70 1.05 4.71 -1.26 -4.95 120.64 116.26 3hye n GLU 18 Ca -0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 57.16 56.58 3hye n GLU 18 Cb 0.31 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 3hye n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hye n GLY 19 N 1.29 0.72 3.58 0.62 0.00 0.12 -5.07 105.19 106.45 3hye n GLY 19 Ca 0.14 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 3hye n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hye s ARG 20 N -3.55 2.08 -0.52 1.61 0.52 -1.26 -4.81 118.95 113.02 3hye s ARG 20 Ca 0.00 -1.41 -0.17 0.00 -0.52 0.00 0.00 55.73 53.62 3hye s ARG 20 Cb 0.00 -2.09 0.09 0.00 0.52 0.00 0.00 34.95 33.47 3hye s ARG 20 CO 0.00 0.39 0.53 -0.51 0.02 0.00 0.00 175.30 175.73 3hye s LEU 21 N -3.27 5.53 0.04 2.53 1.43 -1.26 -0.51 118.68 123.16 3hye s LEU 21 Ca 0.28 -1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 51.97 3hye s LEU 21 Cb -0.07 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3hye s LEU 21 CO 0.17 -0.84 0.99 -1.22 0.23 0.00 0.00 176.35 175.68 3hye n TYR 22 N 5.68 -0.10 -0.29 0.29 4.01 -1.26 -1.35 117.16 124.13 3hye n TYR 22 Ca -0.11 0.29 0.13 0.00 -0.16 0.00 0.00 57.90 58.06 3hye n TYR 22 Cb 0.43 -0.47 0.37 0.00 -0.31 0.00 0.00 39.34 39.36 3hye n TYR 22 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3hye h GLN 23 N 0.00 0.68 -0.07 -0.72 1.08 -1.90 -0.02 115.11 114.15 3hye h GLN 23 Ca 0.04 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3hye h GLN 23 Cb 0.10 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3hye h GLN 23 CO -0.22 0.45 0.02 0.28 -0.95 0.00 0.00 178.83 178.40 3hye h VAL 24 N 0.70 1.20 -0.84 -0.54 2.07 -1.55 0.90 116.25 118.19 3hye h VAL 24 Ca 0.49 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3hye h VAL 24 Cb 0.81 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3hye h VAL 24 CO -0.24 0.17 0.54 -0.33 0.02 0.00 0.00 177.57 177.72 3hye h GLU 25 N -0.11 1.00 -0.11 1.57 4.39 -0.30 0.81 114.58 121.83 3hye h GLU 25 Ca 0.02 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 3hye h GLU 25 Cb 0.26 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3hye h GLU 25 CO 0.00 0.66 -0.59 1.88 -1.16 0.00 0.00 179.01 179.80 3hye h TYR 26 N 1.03 0.46 -0.57 4.33 0.05 -0.88 -1.34 116.97 120.06 3hye h TYR 26 Ca 0.34 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 3hye h TYR 26 Cb 0.03 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 3hye h TYR 26 CO -0.03 0.86 0.01 0.00 -1.05 0.00 0.00 178.16 177.96 3hye h ALA 27 N 1.10 0.76 -0.85 3.88 0.00 -0.14 -1.06 119.26 122.95 3hye h ALA 27 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3hye h ALA 27 Cb 1.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3hye h ALA 27 CO 0.10 0.58 0.42 -0.07 0.00 0.00 0.00 179.25 180.28 3hye h LEU 28 N 0.88 1.10 -1.05 0.00 3.38 -0.66 0.26 115.31 119.21 3hye h LEU 28 Ca 0.16 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hye h LEU 28 Cb 0.53 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3hye h LEU 28 CO 0.03 0.91 0.64 -0.08 0.09 0.00 0.00 178.44 180.03 3hye h GLU 29 N 1.20 1.26 -0.16 1.13 4.57 -0.80 -1.08 114.58 120.71 3hye h GLU 29 Ca 0.29 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 3hye h GLU 29 Cb 0.10 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3hye h GLU 29 CO -0.04 0.84 0.05 1.03 -1.18 0.00 0.00 179.01 179.71 3hye h SER 30 N 1.30 0.23 -0.93 1.04 0.87 -0.03 -2.96 113.55 113.08 3hye h SER 30 Ca 0.36 -0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.81 3hye h SER 30 Cb -0.14 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 61.70 3hye h SER 30 CO -0.08 0.37 0.60 0.40 -0.53 0.00 0.00 176.83 177.58 3hye h ILE 31 N 0.07 0.99 0.00 2.23 1.08 -0.34 -2.09 117.51 119.45 3hye h ILE 31 Ca 0.05 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3hye h ILE 31 Cb 0.22 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 3hye h ILE 31 CO -0.00 0.17 0.02 -1.54 -0.69 0.00 0.00 178.15 176.11 3hye n SER 32 N -4.53 0.02 -0.69 1.72 3.41 -0.47 -0.53 113.62 112.54 3hye n SER 32 Ca 0.16 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 3hye n SER 32 Cb 0.29 -0.49 0.09 0.00 -0.26 0.00 0.00 64.21 63.84 3hye n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hye n HIS 33 N -1.51 0.12 -2.57 7.33 8.25 -0.79 -3.21 115.22 122.85 3hye n HIS 33 Ca -0.00 -0.09 -0.30 0.00 -0.26 0.00 0.00 57.72 57.07 3hye n HIS 33 Cb 0.02 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3hye n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hye s ALA 34 N -1.27 3.25 0.34 -1.41 0.00 0.31 -4.83 121.76 118.15 3hye s ALA 34 Ca 0.21 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.77 3hye s ALA 34 Cb 0.14 -2.85 -0.13 0.00 0.00 0.00 0.00 23.12 20.29 3hye s ALA 34 CO 0.20 -0.21 1.06 0.41 0.00 0.00 0.00 175.76 177.23 3hye n GLY 35 N -1.71 -0.08 3.75 0.00 0.00 -1.26 -1.36 105.19 104.53 3hye n GLY 35 Ca 0.04 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 3hye n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hye s THR 36 N -1.13 3.30 -0.02 2.61 2.01 -1.26 -4.45 115.64 116.69 3hye s THR 36 Ca 0.59 1.22 0.05 0.00 0.31 0.00 0.00 61.69 63.86 3hye s THR 36 Cb -0.63 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3hye s THR 36 CO 0.60 0.25 -0.19 0.00 -0.69 0.00 0.00 174.62 174.59 3hye s ALA 37 N -0.73 1.58 0.05 7.40 0.00 -0.25 -0.59 121.76 129.21 3hye s ALA 37 Ca 0.49 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.72 3hye s ALA 37 Cb -0.34 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3hye s ALA 37 CO 0.42 0.36 -0.17 0.42 0.00 0.00 0.00 175.76 176.80 3hye s ILE 38 N -0.33 1.36 -0.06 0.00 1.01 0.27 -1.27 121.20 122.18 3hye s ILE 38 Ca 0.05 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.56 3hye s ILE 38 Cb -0.08 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.18 3hye s ILE 38 CO 0.00 0.05 -0.07 -0.83 0.00 0.00 0.00 174.94 174.09 3hye s GLY 39 N -1.28 0.60 -0.08 6.18 0.00 0.39 -1.02 107.32 112.10 3hye s GLY 39 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3hye s GLY 39 CO 0.02 0.43 -0.06 -0.42 0.00 0.00 0.00 173.10 173.07 3hye s ILE 40 N 1.00 0.80 -0.24 0.90 1.01 -0.33 -0.42 121.20 123.92 3hye s ILE 40 Ca -0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 3hye s ILE 40 Cb -0.14 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 3hye s ILE 40 CO -0.00 0.31 0.20 -0.32 0.00 0.00 0.00 174.94 175.12 3hye s MET 41 N 1.39 4.07 0.49 2.79 -2.45 0.23 -0.81 119.30 125.00 3hye s MET 41 Ca -0.02 -0.22 0.06 0.00 -1.25 0.00 0.00 55.69 54.26 3hye s MET 41 Cb -0.13 -3.56 0.01 0.00 1.25 0.00 0.00 34.83 32.39 3hye s MET 41 CO -0.03 0.01 0.36 0.00 1.05 0.00 0.00 175.02 176.40 3hye s ALA 42 N 1.20 4.18 0.30 4.11 0.00 0.74 -4.86 121.76 127.42 3hye s ALA 42 Ca 0.09 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.51 3hye s ALA 42 Cb -0.14 -0.75 0.46 0.00 0.00 0.00 0.00 23.12 22.70 3hye s ALA 42 CO 0.06 -0.34 1.72 0.66 0.00 0.00 0.00 175.76 177.86 3hye h SER 43 N 0.95 0.34 -0.25 0.00 4.64 -1.76 -3.20 113.55 114.26 3hye h SER 43 Ca -0.39 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 60.72 3hye h SER 43 Cb 1.28 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3hye h SER 43 CO 0.59 0.66 -0.07 -0.90 -0.87 0.00 0.00 176.83 176.24 3hye n ASP 44 N -4.08 2.89 0.00 4.97 3.85 -1.26 -5.00 116.55 117.91 3hye n ASP 44 Ca -0.01 -3.43 0.00 0.00 -0.71 0.00 0.00 54.79 50.64 3hye n ASP 44 Cb 0.43 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 3hye n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hye n GLY 45 N -0.96 -1.73 2.97 6.12 0.00 -1.21 -4.18 105.19 106.20 3hye n GLY 45 Ca 0.26 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 3hye n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hye s ILE 46 N -2.51 0.21 -0.06 -0.61 1.01 -0.57 -0.18 121.20 118.49 3hye s ILE 46 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3hye s ILE 46 Cb 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 3hye s ILE 46 CO 0.00 -0.30 -0.22 -0.69 0.00 0.00 0.00 174.94 173.72 3hye s VAL 47 N -0.99 1.86 -0.13 2.92 1.01 0.01 -1.26 120.40 123.82 3hye s VAL 47 Ca -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3hye s VAL 47 Cb -0.07 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3hye s VAL 47 CO -0.00 0.52 -0.16 -0.76 0.00 0.00 0.00 175.10 174.70 3hye s LEU 48 N -0.05 1.77 0.01 3.92 1.43 0.30 -1.19 118.68 124.87 3hye s LEU 48 Ca -0.05 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3hye s LEU 48 Cb -0.14 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 3hye s LEU 48 CO 0.04 -0.01 -0.11 0.00 0.23 0.00 0.00 176.35 176.50 3hye s ALA 49 N 1.20 0.88 -0.05 4.21 0.00 -0.19 -0.95 121.76 126.86 3hye s ALA 49 Ca -0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 3hye s ALA 49 Cb -0.14 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3hye s ALA 49 CO -0.06 0.18 0.21 0.00 0.00 0.00 0.00 175.76 176.09 3hye s ALA 50 N -0.51 -0.51 -0.22 0.00 0.00 -0.70 0.94 121.76 120.77 3hye s ALA 50 Ca 0.02 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 3hye s ALA 50 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3hye s ALA 50 CO 0.00 -0.15 0.35 -2.00 0.00 0.00 0.00 175.76 173.96 3hye s GLU 51 N -0.48 4.13 -0.28 0.00 2.12 0.24 -1.90 118.70 122.53 3hye s GLU 51 Ca -0.06 0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 3hye s GLU 51 Cb -0.04 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3hye s GLU 51 CO 0.01 -0.05 1.44 1.03 -0.54 0.00 0.00 175.26 177.15 3hye s ARG 52 N 1.37 3.82 0.14 4.30 0.52 0.10 -4.15 118.95 125.05 3hye s ARG 52 Ca 0.16 1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 56.45 3hye s ARG 52 Cb -0.15 -3.96 -0.07 0.00 0.52 0.00 0.00 34.95 31.30 3hye s ARG 52 CO 0.08 -1.25 1.13 0.21 0.02 0.00 0.00 175.30 175.49 3hye s LYS 53 N 4.47 4.54 0.39 3.54 2.20 -1.26 -4.71 119.74 128.91 3hye s LYS 53 Ca 0.63 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 3hye s LYS 53 Cb -0.20 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3hye s LYS 53 CO 0.27 -0.04 0.00 0.28 -0.36 0.00 0.00 175.35 175.50 3hye n VAL 54 N 2.89 -5.84 -3.60 4.02 0.31 -1.26 -5.02 118.33 109.82 3hye n VAL 54 Ca 0.05 2.71 -0.12 0.00 -0.01 0.00 0.00 64.34 66.97 3hye n VAL 54 Cb 0.46 -3.49 -0.05 0.00 -0.91 0.00 0.00 33.84 29.85 3hye n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hye s THR 55 N -2.04 0.05 0.16 2.52 -4.23 -1.26 -5.13 115.64 105.71 3hye s THR 55 Ca 0.00 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 3hye s THR 55 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 3hye s THR 55 CO 0.00 -0.23 0.03 -0.55 -0.54 0.00 0.00 174.62 173.33 3hye s SER 56 N -2.44 0.85 0.24 3.99 0.15 -1.26 -5.03 113.70 110.20 3hye s SER 56 Ca -0.01 -1.19 -0.04 0.00 0.70 0.00 0.00 55.95 55.41 3hye s SER 56 Cb 0.00 0.19 0.27 0.00 -1.71 0.00 0.00 66.02 64.77 3hye s SER 56 CO -0.08 -0.64 1.76 0.74 1.20 0.00 0.00 173.24 176.22 3hye h THR 57 N 2.76 1.25 0.00 6.45 2.02 -2.04 -2.93 112.91 120.42 3hye h THR 57 Ca -0.36 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3hye h THR 57 Cb 1.20 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3hye h THR 57 CO 0.61 0.35 0.00 0.18 0.37 0.00 0.00 175.52 177.04 3hye n LEU 58 N -4.23 0.32 -4.72 2.58 4.32 -1.26 -4.84 117.00 109.16 3hye n LEU 58 Ca 0.04 0.53 -0.42 0.00 -0.02 0.00 0.00 56.01 56.14 3hye n LEU 58 Cb 0.27 -0.43 -0.03 0.00 -1.62 0.00 0.00 43.42 41.61 3hye n LEU 58 CO 0.42 -0.09 1.24 -0.22 -1.22 0.00 0.00 177.39 177.52 3hye s LEU 59 N -3.61 4.37 -0.45 2.23 2.96 -1.11 -4.93 118.68 118.15 3hye s LEU 59 Ca 0.12 2.68 -0.28 0.00 -0.22 0.00 0.00 54.13 56.43 3hye s LEU 59 Cb 0.16 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.28 3hye s LEU 59 CO 0.54 -0.84 1.08 -0.70 -1.32 0.00 0.00 176.35 175.11 3hye s GLU 60 N 0.89 3.74 0.15 1.98 2.56 -1.26 -4.90 118.70 121.86 3hye s GLU 60 Ca 0.69 0.56 0.20 0.00 0.00 0.00 0.00 54.97 56.43 3hye s GLU 60 Cb -0.45 -3.88 -0.05 0.00 2.00 0.00 0.00 34.13 31.75 3hye s GLU 60 CO 0.34 -1.27 0.96 0.94 -0.56 0.00 0.00 175.26 175.67 3hye n GLN 61 N 7.54 0.61 0.09 4.30 7.27 -1.26 -3.46 117.38 132.47 3hye n GLN 61 Ca 0.11 0.16 -0.03 0.00 0.07 0.00 0.00 57.00 57.30 3hye n GLN 61 Cb 0.49 -1.82 0.18 0.00 2.41 0.00 0.00 30.24 31.50 3hye n GLN 61 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3hye h ASP 62 N 0.00 0.27 -0.64 1.69 5.19 -2.01 -2.92 116.42 118.00 3hye h ASP 62 Ca -0.06 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 3hye h ASP 62 Cb 1.22 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.65 3hye h ASP 62 CO 0.02 0.71 0.00 0.41 -3.12 0.00 0.00 179.24 177.25 3hye n THR 63 N -3.97 1.60 -4.00 0.35 -1.04 -1.26 -4.98 114.28 100.98 3hye n THR 63 Ca -0.02 -1.17 -0.26 0.00 -2.04 0.00 0.00 64.05 60.56 3hye n THR 63 Cb 0.53 0.23 -0.04 0.00 -1.82 0.00 0.00 70.33 69.22 3hye n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3hye s SER 63 N -0.98 6.00 -0.30 8.00 0.15 -1.11 -5.08 113.70 120.38 3hye s SER 63 Ca 0.49 0.05 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 3hye s SER 63 Cb 0.30 -1.72 0.18 0.00 -1.71 0.00 0.00 66.02 63.07 3hye s SER 63 CO 0.26 0.06 0.96 -0.89 1.20 0.00 0.00 173.24 174.82 3hye s THR 64 N -1.74 -0.48 0.00 6.45 2.01 -1.26 -5.01 115.64 115.61 3hye s THR 64 Ca 0.33 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.33 3hye s THR 64 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3hye s THR 64 CO 0.26 0.00 0.05 -1.84 -0.69 0.00 0.00 174.62 172.41 3hye n GLU 65 N 5.40 2.55 0.00 4.92 0.28 -1.26 -4.90 120.64 127.63 3hye n GLU 65 Ca -0.06 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3hye n GLU 65 Cb 0.53 -0.35 0.00 0.00 1.43 0.00 0.00 31.44 33.05 3hye n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3hye n LYS 66 N -0.38 2.35 -3.92 3.44 5.02 -1.26 -4.78 118.16 118.63 3hye n LYS 66 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3hye n LYS 66 Cb 0.03 -0.75 -0.14 0.00 -0.02 0.00 0.00 35.03 34.15 3hye n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hye s LEU 67 N -2.15 2.98 -0.01 -0.35 1.02 -1.26 0.40 118.68 119.31 3hye s LEU 67 Ca 0.00 -0.52 0.05 0.00 0.02 0.00 0.00 54.13 53.68 3hye s LEU 67 Cb 0.00 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.48 3hye s LEU 67 CO 0.00 -0.05 -0.15 -0.31 0.02 0.00 0.00 176.35 175.85 3hye s TYR 68 N 1.44 1.39 -0.13 0.29 2.02 -0.72 -4.99 117.35 116.64 3hye s TYR 68 Ca 0.05 -0.27 -0.23 0.00 -0.37 0.00 0.00 57.07 56.25 3hye s TYR 68 Cb -0.15 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 3hye s TYR 68 CO -0.04 -0.03 0.69 0.21 -1.57 0.00 0.00 175.55 174.82 3hye s LYS 69 N -0.35 4.33 -0.25 -0.62 2.20 -1.26 -1.42 119.74 122.37 3hye s LYS 69 Ca 0.06 0.80 0.03 0.00 -0.36 0.00 0.00 55.97 56.49 3hye s LYS 69 Cb -0.06 -3.52 -0.18 0.00 -1.51 0.00 0.00 37.83 32.57 3hye s LYS 69 CO -0.01 -0.11 -0.20 1.28 -0.36 0.00 0.00 175.35 175.95 3hye n LEU 70 N 4.49 2.82 0.00 5.43 4.77 -0.41 -4.98 117.00 129.13 3hye n LEU 70 Ca -0.00 -0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 3hye n LEU 70 Cb 0.50 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 3hye n LEU 70 CO 0.46 0.91 -0.03 -3.20 -1.33 0.00 0.00 177.39 174.20 3hye n ASN 71 N -3.24 -0.03 -0.09 -1.43 4.05 -0.45 -4.63 115.26 109.45 3hye n ASN 71 Ca -0.45 -1.65 0.13 0.00 0.45 0.00 0.00 54.58 53.05 3hye n ASN 71 Cb 1.00 0.47 0.37 0.00 1.23 0.00 0.00 39.78 42.85 3hye n ASN 71 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3hye n ASP 72 N -2.50 0.59 0.00 1.20 8.00 -1.26 -3.91 116.55 118.67 3hye n ASP 72 Ca 0.02 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3hye n ASP 72 Cb 0.18 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3hye n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hye n LYS 73 N -1.18 -0.59 -4.12 -1.24 5.02 -1.26 -4.54 118.16 110.25 3hye n LYS 73 Ca 0.09 -0.39 -0.16 0.00 -2.02 0.00 0.00 58.31 55.82 3hye n LYS 73 Cb 0.33 -0.86 -0.15 0.00 -0.02 0.00 0.00 35.03 34.34 3hye n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hye s ILE 74 N -0.03 0.38 0.07 -0.18 1.01 -1.25 -1.29 121.20 119.91 3hye s ILE 74 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 3hye s ILE 74 Cb 0.00 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 3hye s ILE 74 CO 0.00 0.13 0.07 0.00 0.00 0.00 0.00 174.94 175.14 3hye s ALA 75 N 0.17 0.21 0.09 9.38 0.00 0.07 -1.28 121.76 130.40 3hye s ALA 75 Ca -0.02 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3hye s ALA 75 Cb -0.05 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3hye s ALA 75 CO -0.00 -0.44 -0.10 0.14 0.00 0.00 0.00 175.76 175.36 3hye s VAL 76 N -3.90 0.89 -0.11 0.00 -7.23 -0.51 -0.38 120.40 109.16 3hye s VAL 76 Ca 0.07 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3hye s VAL 76 Cb 0.07 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 3hye s VAL 76 CO -0.10 -0.50 -0.06 0.00 -0.31 0.00 0.00 175.10 174.12 3hye s ALA 77 N -2.19 2.94 -0.07 1.32 0.00 0.04 -1.76 121.76 122.04 3hye s ALA 77 Ca 0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3hye s ALA 77 Cb -0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3hye s ALA 77 CO 0.00 0.39 0.02 0.08 0.00 0.00 0.00 175.76 176.24 3hye s VAL 78 N -0.19 4.40 -0.17 0.00 1.01 0.16 -1.69 120.40 123.92 3hye s VAL 78 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3hye s VAL 78 Cb -0.13 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.43 3hye s VAL 78 CO 0.03 0.56 0.06 0.00 0.00 0.00 0.00 175.10 175.75 3hye s ALA 79 N -0.94 0.68 0.00 5.51 0.00 -0.77 -4.78 121.76 121.47 3hye s ALA 79 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3hye s ALA 79 Cb -0.11 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3hye s ALA 79 CO 0.04 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.10 3hye n GLY 80 N 5.17 0.74 3.63 0.00 0.00 -1.26 -1.31 105.19 112.16 3hye n GLY 80 Ca -0.08 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 3hye n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 81 N 0.00 3.88 0.14 0.99 2.01 0.19 -4.91 118.68 120.98 3hye s LEU 81 Ca 0.00 1.63 -0.19 0.00 0.01 0.00 0.00 54.13 55.58 3hye s LEU 81 Cb 0.00 -3.53 0.01 0.00 0.01 0.00 0.00 46.19 42.68 3hye s LEU 81 CO 0.00 -1.29 1.71 0.74 1.01 0.00 0.00 176.35 178.53 3hye h THR 82 N 6.18 0.82 -0.92 5.49 2.02 -1.91 -1.35 112.91 123.24 3hye h THR 82 Ca -0.34 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 66.87 3hye h THR 82 Cb 1.16 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 3hye h THR 82 CO 1.00 0.01 0.58 0.00 0.37 0.00 0.00 175.52 177.49 3hye h ALA 83 N 1.22 1.26 -0.70 6.16 0.00 -1.98 0.15 119.26 125.37 3hye h ALA 83 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hye h ALA 83 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3hye h ALA 83 CO -0.21 0.36 0.21 -0.44 0.00 0.00 0.00 179.25 179.18 3hye h ASP 84 N 1.07 1.02 -0.13 0.00 3.45 -1.85 -2.71 116.42 117.28 3hye h ASP 84 Ca 0.39 -0.21 0.01 0.00 0.43 0.00 0.00 57.03 57.65 3hye h ASP 84 Cb 0.14 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3hye h ASP 84 CO -0.16 0.97 0.07 0.00 -1.57 0.00 0.00 179.24 178.54 3hye h ALA 85 N 1.10 0.15 -0.97 3.45 0.00 -0.05 -2.62 119.26 120.33 3hye h ALA 85 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3hye h ALA 85 Cb 0.32 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3hye h ALA 85 CO -0.01 -0.38 0.60 0.93 0.00 0.00 0.00 179.25 180.40 3hye h GLU 86 N 0.14 0.97 -0.06 0.00 5.08 -0.82 0.48 114.58 120.37 3hye h GLU 86 Ca 0.05 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hye h GLU 86 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3hye h GLU 86 CO -0.03 0.64 -0.05 0.82 -1.00 0.00 0.00 179.01 179.39 3hye h ILE 87 N 1.00 0.84 -0.57 3.13 1.08 -1.16 -0.69 117.51 121.13 3hye h ILE 87 Ca 0.46 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.85 3hye h ILE 87 Cb 0.38 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 3hye h ILE 87 CO -0.24 0.00 0.06 -0.07 -0.69 0.00 0.00 178.15 177.21 3hye h LEU 88 N -0.06 0.94 -0.25 1.44 3.38 -1.00 -2.81 115.31 116.95 3hye h LEU 88 Ca 0.05 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3hye h LEU 88 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hye h LEU 88 CO -0.10 0.98 0.05 0.40 0.09 0.00 0.00 178.44 179.86 3hye h ILE 89 N 0.87 0.89 -0.69 1.22 2.04 0.23 -0.38 117.51 121.68 3hye h ILE 89 Ca 0.17 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.99 3hye h ILE 89 Cb 0.46 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3hye h ILE 89 CO 0.02 0.03 0.46 -1.13 0.00 0.00 0.00 178.15 177.52 3hye h ASN 90 N 0.15 0.80 0.18 1.72 -1.24 -1.02 0.40 115.58 116.56 3hye h ASN 90 Ca 0.11 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 3hye h ASN 90 Cb 0.11 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 3hye h ASN 90 CO -0.15 0.58 -0.34 0.71 -1.29 0.00 0.00 177.43 176.94 3hye h THR 91 N 0.94 1.28 -0.52 -3.57 1.35 -1.21 -2.06 112.91 109.11 3hye h THR 91 Ca 0.25 -1.32 -0.05 0.00 -0.55 0.00 0.00 66.41 64.74 3hye h THR 91 Cb -0.11 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 67.85 3hye h THR 91 CO -0.05 0.40 0.12 0.00 -0.25 0.00 0.00 175.52 175.73 3hye h ALA 92 N 1.45 0.68 -0.69 6.62 0.00 -0.15 -1.19 119.26 125.99 3hye h ALA 92 Ca 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hye h ALA 92 Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hye h ALA 92 CO 0.05 0.39 0.42 0.00 0.00 0.00 0.00 179.25 180.11 3hye h ARG 93 N 0.72 0.94 -0.25 0.00 3.08 -0.48 -2.07 114.38 116.32 3hye h ARG 93 Ca 0.16 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3hye h ARG 93 Cb 0.35 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hye h ARG 93 CO 0.00 0.66 -0.19 0.82 -1.07 0.00 0.00 179.97 180.19 3hye h ILE 94 N 0.95 1.31 -1.00 2.04 5.03 -1.01 -2.84 117.51 121.99 3hye h ILE 94 Ca 0.25 -1.33 0.02 0.00 -0.12 0.00 0.00 64.86 63.69 3hye h ILE 94 Cb -0.04 1.61 -0.05 0.00 -3.03 0.00 0.00 36.82 35.31 3hye h ILE 94 CO -0.05 0.42 0.66 -0.74 -0.68 0.00 0.00 178.15 177.76 3hye h HIS 95 N 0.29 1.25 -0.25 1.37 2.76 -0.90 0.35 115.15 120.01 3hye h HIS 95 Ca 0.05 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3hye h HIS 95 Cb 0.73 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3hye h HIS 95 CO 0.07 0.76 0.16 0.00 -1.30 0.00 0.00 177.93 177.61 3hye h ALA 96 N 1.39 0.32 -0.65 5.26 0.00 -1.34 -1.68 119.26 122.58 3hye h ALA 96 Ca 0.38 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3hye h ALA 96 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3hye h ALA 96 CO -0.10 -0.18 0.20 1.96 0.00 0.00 0.00 179.25 181.13 3hye h GLN 97 N 0.32 0.99 -0.63 0.00 1.08 -1.13 -1.17 115.11 114.58 3hye h GLN 97 Ca 0.09 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3hye h GLN 97 Cb 0.01 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 3hye h GLN 97 CO -0.02 0.85 0.33 -0.91 -0.95 0.00 0.00 178.83 178.13 3hye h ASN 98 N 0.96 0.79 -0.08 1.46 2.35 -0.66 0.02 115.58 120.42 3hye h ASN 98 Ca 0.21 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3hye h ASN 98 Cb 0.28 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3hye h ASN 98 CO -0.01 0.67 0.05 0.22 -1.65 0.00 0.00 177.43 176.72 3hye h TYR 99 N 0.86 0.11 -0.42 1.19 3.20 -1.01 -0.24 116.97 120.65 3hye h TYR 99 Ca 0.22 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.13 3hye h TYR 99 Cb 0.07 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3hye h TYR 99 CO -0.01 0.11 0.19 1.25 -1.64 0.00 0.00 178.16 178.06 3hye h LEU 100 N 0.08 0.25 -0.99 2.82 5.85 -0.84 -0.27 115.31 122.21 3hye h LEU 100 Ca 0.03 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3hye h LEU 100 Cb 0.03 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3hye h LEU 100 CO -0.01 0.18 0.01 0.50 -0.34 0.00 0.00 178.44 178.79 3hye h LYS 101 N 0.38 0.74 -0.12 1.25 3.64 -0.79 0.63 116.57 122.30 3hye h LYS 101 Ca 0.19 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3hye h LYS 101 Cb 0.13 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3hye h LYS 101 CO -0.15 0.75 -0.36 1.15 -2.27 0.00 0.00 179.45 178.56 3hye h THR 102 N 0.70 1.38 -0.00 1.00 2.02 -0.35 -3.37 112.91 114.28 3hye h THR 102 Ca 0.14 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.65 3hye h THR 102 Cb 0.41 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3hye h THR 102 CO 0.02 0.50 -0.36 -1.22 0.37 0.00 0.00 175.52 174.82 3hye n TYR 103 N -4.35 0.00 -3.63 3.16 4.01 -0.17 -5.00 117.16 111.17 3hye n TYR 103 Ca -0.07 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 3hye n TYR 103 Cb 0.51 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.61 3hye n TYR 103 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hye n ASN 104 N -0.75 -4.48 -3.72 7.72 3.02 0.22 -4.99 115.26 112.27 3hye n ASN 104 Ca 0.03 -0.64 -0.14 0.00 -0.03 0.00 0.00 54.58 53.81 3hye n ASN 104 Cb 0.20 -4.73 -0.09 0.00 -0.61 0.00 0.00 39.78 34.55 3hye n ASN 104 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hye s GLU 105 N -6.11 0.62 0.47 3.52 2.02 -1.24 -5.07 118.70 112.90 3hye s GLU 105 Ca 0.40 0.27 -0.23 0.00 0.02 0.00 0.00 54.97 55.43 3hye s GLU 105 Cb -0.18 0.29 -0.07 0.00 0.10 0.00 0.00 34.13 34.26 3hye s GLU 105 CO 0.76 -0.13 1.24 -0.51 0.02 0.00 0.00 175.26 176.64 3hye s ASP 106 N -0.48 5.99 0.15 -0.19 1.01 -1.26 -3.82 116.67 118.08 3hye s ASP 106 Ca -0.06 2.49 -0.31 0.00 0.71 0.00 0.00 52.55 55.38 3hye s ASP 106 Cb -0.03 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 3hye s ASP 106 CO 0.03 -1.05 1.44 -0.51 0.21 0.00 0.00 175.17 175.29 3hye s ILE 107 N -1.42 3.01 0.42 0.77 2.07 -1.26 -4.96 121.20 119.83 3hye s ILE 107 Ca 0.64 0.75 -0.26 0.00 -1.41 0.00 0.00 60.65 60.36 3hye s ILE 107 Cb -0.34 -3.48 -0.09 0.00 0.13 0.00 0.00 42.46 38.68 3hye s ILE 107 CO 0.41 0.07 1.39 -2.65 -1.91 0.00 0.00 174.94 172.25 3hye n PRO 108 N 3.68 2.23 -0.16 3.50 -0.02 -1.26 -4.89 135.00 138.08 3hye n PRO 108 Ca 0.11 0.79 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 3hye n PRO 108 Cb 0.41 -2.55 0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3hye n PRO 108 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hye h VAL 109 N 2.36 0.63 -0.74 -1.45 2.07 -1.93 -2.52 116.25 114.66 3hye h VAL 109 Ca -0.50 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3hye h VAL 109 Cb 1.27 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3hye h VAL 109 CO 0.61 0.03 0.30 -0.08 0.02 0.00 0.00 177.57 178.45 3hye h GLU 110 N 0.14 1.10 -0.82 1.57 4.81 -1.99 -2.01 114.58 117.39 3hye h GLU 110 Ca 0.26 -0.20 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3hye h GLU 110 Cb 0.38 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 3hye h GLU 110 CO -0.40 0.90 0.46 0.82 -0.73 0.00 0.00 179.01 180.06 3hye h ILE 111 N 1.06 0.90 -0.34 2.32 2.04 -1.83 0.38 117.51 122.04 3hye h ILE 111 Ca 0.25 -0.26 -0.17 0.00 1.00 0.00 0.00 64.86 65.68 3hye h ILE 111 Cb 0.21 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3hye h ILE 111 CO -0.02 0.14 -0.44 0.25 0.00 0.00 0.00 178.15 178.08 3hye h LEU 112 N 0.77 0.96 -0.53 1.44 6.46 -1.33 -2.35 115.31 120.73 3hye h LEU 112 Ca 0.40 -0.46 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 3hye h LEU 112 Cb 0.38 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3hye h LEU 112 CO -0.25 1.25 0.03 0.58 -0.62 0.00 0.00 178.44 179.43 3hye h VAL 113 N 0.71 1.26 -0.73 1.05 2.07 -0.54 -2.44 116.25 117.63 3hye h VAL 113 Ca 0.04 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 3hye h VAL 113 Cb 1.03 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3hye h VAL 113 CO 0.10 0.37 0.27 -0.09 0.02 0.00 0.00 177.57 178.24 3hye h ARG 114 N 0.78 1.10 -0.22 1.57 2.43 -0.23 -1.37 114.38 118.44 3hye h ARG 114 Ca 0.15 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3hye h ARG 114 Cb 0.48 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3hye h ARG 114 CO 0.02 0.92 0.11 -0.09 -1.51 0.00 0.00 179.97 179.42 3hye h ARG 115 N 1.05 0.32 -0.74 0.20 9.65 -1.30 0.52 114.38 124.09 3hye h ARG 115 Ca 0.24 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 3hye h ARG 115 Cb 0.25 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3hye h ARG 115 CO -0.02 0.32 0.34 -0.07 2.80 0.00 0.00 179.97 183.35 3hye h LEU 116 N 0.23 0.98 -1.06 3.80 3.38 -1.31 -1.71 115.31 119.62 3hye h LEU 116 Ca 0.08 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3hye h LEU 116 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hye h LEU 116 CO -0.01 0.85 -0.22 0.28 0.09 0.00 0.00 178.44 179.43 3hye h SER 117 N 1.04 0.40 -0.04 -0.43 0.02 -1.00 -2.12 113.55 111.41 3hye h SER 117 Ca 0.25 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3hye h SER 117 Cb 0.14 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3hye h SER 117 CO -0.03 0.63 -0.24 0.44 -1.14 0.00 0.00 176.83 176.49 3hye h ASP 118 N 0.36 0.46 -0.36 3.07 3.45 -0.35 0.11 116.42 123.16 3hye h ASP 118 Ca 0.06 -0.15 -0.07 0.00 0.43 0.00 0.00 57.03 57.30 3hye h ASP 118 Cb 0.59 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 3hye h ASP 118 CO 0.04 0.70 -0.04 0.40 -1.57 0.00 0.00 179.24 178.77 3hye h ILE 119 N 0.41 1.27 -0.55 0.35 2.04 -0.82 -2.07 117.51 118.14 3hye h ILE 119 Ca 0.06 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 3hye h ILE 119 Cb 0.64 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3hye h ILE 119 CO 0.05 0.35 0.33 0.11 0.00 0.00 0.00 178.15 178.99 3hye h LYS 120 N 0.47 0.76 -0.88 2.37 1.57 -0.96 -2.41 116.57 117.48 3hye h LYS 120 Ca 0.10 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 3hye h LYS 120 Cb 0.52 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 3hye h LYS 120 CO 0.03 0.55 0.57 0.37 -0.57 0.00 0.00 179.45 180.40 3hye h GLN 121 N 0.74 0.86 -0.12 3.15 -0.00 -0.53 -2.48 115.11 116.73 3hye h GLN 121 Ca 0.20 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.83 3hye h GLN 121 Cb -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 27.25 3hye h GLN 121 CO -0.04 0.57 -0.09 0.78 0.00 0.00 0.00 178.83 180.05 3hye h GLY 122 N 0.89 0.00 1.48 2.39 0.00 -0.85 0.04 103.07 107.01 3hye h GLY 122 Ca 0.41 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3hye h GLY 122 CO -0.17 -0.10 0.01 -1.72 0.00 0.00 0.00 176.54 174.55 3hye n TYR 123 N -5.23 0.00 0.04 5.60 4.02 -0.94 -0.89 117.16 119.76 3hye n TYR 123 Ca -0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.97 3hye n TYR 123 Cb 0.15 -0.26 -0.12 0.00 -0.02 0.00 0.00 39.34 39.10 3hye n TYR 123 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hye n THR 124 N -1.25 0.17 0.00 -0.72 -1.04 -0.01 -4.52 114.28 106.91 3hye n THR 124 Ca 0.00 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 3hye n THR 124 Cb 0.01 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3hye n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3hye n GLN 125 N -2.36 2.40 -3.71 -2.82 7.27 -0.07 -4.76 117.38 113.34 3hye n GLN 125 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.95 3hye n GLN 125 Cb 0.56 -0.82 -0.02 0.00 2.41 0.00 0.00 30.24 32.36 3hye n GLN 125 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3hye s HIS 126 N -1.64 -0.25 0.00 3.69 -3.43 -0.99 -4.98 115.29 107.69 3hye s HIS 126 Ca 0.00 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 3hye s HIS 126 Cb 0.00 0.58 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 3hye s HIS 126 CO 0.00 -1.05 0.00 0.41 -2.00 0.00 0.00 174.74 172.10 3hye n GLY 127 N -0.41 3.35 2.42 -1.38 0.00 -1.26 -4.47 105.19 103.44 3hye n GLY 127 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3hye n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 128 N -1.47 0.77 3.74 -0.02 0.00 -1.26 -5.00 105.19 101.94 3hye n GLY 128 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 3hye n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 129 N -4.38 3.56 0.52 0.99 1.43 -1.26 -4.63 118.68 114.91 3hye s LEU 129 Ca 0.00 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.57 3hye s LEU 129 Cb 0.00 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 3hye s LEU 129 CO 0.00 0.04 1.14 0.00 0.23 0.00 0.00 176.35 177.76 3hye s ARG 130 N -3.33 3.45 1.02 1.70 1.70 -1.26 -4.82 118.95 117.41 3hye s ARG 130 Ca 0.30 1.67 -0.15 0.00 -0.47 0.00 0.00 55.73 57.08 3hye s ARG 130 Cb -0.09 -2.12 0.20 0.00 -0.57 0.00 0.00 34.95 32.37 3hye s ARG 130 CO 0.22 -0.78 1.16 -2.14 -1.08 0.00 0.00 175.30 172.68 3hye s PRO 131 N -3.12 0.27 -0.06 3.89 0.02 -1.26 -4.99 135.00 129.75 3hye s PRO 131 Ca 0.70 0.08 -0.25 0.00 0.02 0.00 0.00 61.00 61.56 3hye s PRO 131 Cb -0.26 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 3hye s PRO 131 CO 0.29 -2.74 0.76 -0.06 -0.33 0.00 0.00 177.00 174.92 3hye s PHE 132 N -3.28 3.58 -1.49 6.54 0.40 -1.26 -4.93 117.98 117.54 3hye s PHE 132 Ca 0.68 1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 58.23 3hye s PHE 132 Cb -0.12 -2.88 0.02 0.00 0.51 0.00 0.00 43.02 40.55 3hye s PHE 132 CO 0.55 0.05 2.48 0.41 0.70 0.00 0.00 175.22 179.40 3hye n GLY 133 N 3.10 4.49 2.98 4.36 0.00 -1.26 -4.50 105.19 114.36 3hye n GLY 133 Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 3hye n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 134 N 1.96 0.05 -0.03 1.61 1.01 -1.26 -0.64 120.40 123.10 3hye s VAL 134 Ca 0.55 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3hye s VAL 134 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.33 3hye s VAL 134 CO -0.07 -0.22 -0.11 -0.44 0.00 0.00 0.00 175.10 174.26 3hye s SER 135 N -0.66 1.48 0.11 3.32 0.01 -0.43 -3.04 113.70 114.48 3hye s SER 135 Ca -0.07 -0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.04 3hye s SER 135 Cb -0.05 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 3hye s SER 135 CO 0.00 0.09 -0.19 -0.36 0.41 0.00 0.00 173.24 173.19 3hye s PHE 136 N 0.18 2.51 -0.19 2.43 0.40 0.20 -1.84 117.98 121.69 3hye s PHE 136 Ca -0.04 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 3hye s PHE 136 Cb -0.10 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 42.09 3hye s PHE 136 CO 0.01 0.36 -0.17 0.42 0.70 0.00 0.00 175.22 176.53 3hye s ILE 137 N -1.10 2.26 -0.20 0.64 1.01 -0.68 -1.67 121.20 121.46 3hye s ILE 137 Ca 0.17 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 3hye s ILE 137 Cb -0.10 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3hye s ILE 137 CO 0.09 0.50 0.11 -0.31 0.00 0.00 0.00 174.94 175.32 3hye s TYR 138 N 1.31 3.32 -0.24 3.97 1.51 0.15 -0.78 117.35 126.60 3hye s TYR 138 Ca 0.05 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.32 3hye s TYR 138 Cb -0.13 -2.14 0.05 0.00 -0.11 0.00 0.00 41.96 39.62 3hye s TYR 138 CO -0.11 0.19 -0.12 0.00 -1.11 0.00 0.00 175.55 174.39 3hye s ALA 139 N 0.50 2.53 0.31 3.71 0.00 0.49 -1.05 121.76 128.24 3hye s ALA 139 Ca 0.06 -1.61 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 3hye s ALA 139 Cb -0.12 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3hye s ALA 139 CO -0.00 -0.96 0.49 0.20 0.00 0.00 0.00 175.76 175.49 3hye s GLY 140 N 1.17 1.03 -0.01 0.00 0.00 -1.00 -0.75 107.32 107.76 3hye s GLY 140 Ca -0.05 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.44 3hye s GLY 140 CO -0.07 -0.82 0.05 -0.47 0.00 0.00 0.00 173.10 171.79 3hye s TYR 141 N -3.39 -0.02 0.14 1.90 6.14 -0.41 -1.14 117.35 120.57 3hye s TYR 141 Ca 0.26 0.05 -0.11 0.00 0.64 0.00 0.00 57.07 57.92 3hye s TYR 141 Cb -0.01 -0.01 0.01 0.00 0.42 0.00 0.00 41.96 42.37 3hye s TYR 141 CO 0.15 -0.06 0.31 0.16 0.64 0.00 0.00 175.55 176.75 3hye s ASP 142 N -0.19 -0.02 -0.00 4.32 1.47 -1.10 -4.78 116.67 116.36 3hye s ASP 142 Ca -0.02 -0.67 0.01 0.00 1.18 0.00 0.00 52.55 53.04 3hye s ASP 142 Cb -0.02 0.44 0.03 0.00 -0.34 0.00 0.00 42.92 43.03 3hye s ASP 142 CO 0.00 -0.87 0.78 -0.90 0.68 0.00 0.00 175.17 174.86 3hye n ASP 143 N -0.19 0.68 -0.05 2.11 5.75 -1.26 -0.57 116.55 123.01 3hye n ASP 143 Ca -0.11 -2.02 -0.07 0.00 -0.01 0.00 0.00 54.79 52.58 3hye n ASP 143 Cb 0.63 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 3hye n ASP 143 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3hye n ARG 144 N -0.19 0.93 0.00 0.11 0.63 -1.26 -4.75 116.66 112.13 3hye n ARG 144 Ca 0.01 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3hye n ARG 144 Cb 0.16 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.85 3hye n ARG 144 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hye n TYR 14 N -2.68 0.00 -4.10 -0.14 4.01 -1.24 -5.11 117.16 107.90 3hye n TYR 14 Ca -0.18 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 3hye n TYR 14 Cb 0.73 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 3hye n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hye n GLY 145 N -0.16 3.05 3.72 2.72 0.00 0.26 -4.60 105.19 110.18 3hye n GLY 145 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3hye n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hye s TYR 146 N 0.00 3.22 0.05 1.61 2.02 -1.26 -2.70 117.35 120.29 3hye s TYR 146 Ca 0.00 1.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.73 3hye s TYR 146 Cb 0.00 -3.68 -0.03 0.00 -0.40 0.00 0.00 41.96 37.85 3hye s TYR 146 CO 0.00 -2.31 -0.06 -0.65 -1.57 0.00 0.00 175.55 170.96 3hye s GLN 147 N 0.61 0.59 -0.05 -0.62 -0.21 -0.30 -5.01 119.66 114.67 3hye s GLN 147 Ca 0.62 -0.95 -0.01 0.00 0.02 0.00 0.00 55.36 55.04 3hye s GLN 147 Cb -0.38 -0.14 0.03 0.00 1.00 0.00 0.00 33.01 33.52 3hye s GLN 147 CO 0.34 -0.01 0.01 -1.17 -2.12 0.00 0.00 175.29 172.34 3hye s LEU 148 N -2.13 0.73 0.31 2.90 2.96 -1.26 -2.38 118.68 119.81 3hye s LEU 148 Ca -0.03 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3hye s LEU 148 Cb -0.04 -0.32 -0.06 0.00 0.50 0.00 0.00 46.19 46.27 3hye s LEU 148 CO -0.03 -0.17 0.04 -0.31 -1.32 0.00 0.00 176.35 174.57 3hye s TYR 149 N 1.65 1.92 -0.10 5.38 2.02 -0.21 -1.02 117.35 126.99 3hye s TYR 149 Ca -0.01 -0.93 -0.09 0.00 -0.37 0.00 0.00 57.07 55.67 3hye s TYR 149 Cb -0.13 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.24 3hye s TYR 149 CO -0.03 0.02 0.27 -0.08 -1.57 0.00 0.00 175.55 174.16 3hye s THR 150 N -3.29 0.00 0.00 -0.71 -1.32 -0.66 0.34 115.64 110.01 3hye s THR 150 Ca 0.35 -0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.79 3hye s THR 150 Cb 0.08 -0.39 -0.01 0.00 -1.51 0.00 0.00 72.50 70.67 3hye s THR 150 CO 0.14 -0.02 0.01 -0.94 -2.21 0.00 0.00 174.62 171.60 3hye s SER 151 N 0.06 0.07 0.37 8.08 1.04 -0.67 -1.90 113.70 120.74 3hye s SER 151 Ca -0.01 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.30 3hye s SER 151 Cb -0.02 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 3hye s SER 151 CO 0.01 -0.12 0.10 0.54 0.98 0.00 0.00 173.24 174.75 3hye s ASN 152 N -0.53 2.54 0.46 7.02 2.20 -1.17 -0.62 114.94 124.83 3hye s ASN 152 Ca -0.06 -1.55 0.37 0.00 -0.94 0.00 0.00 52.86 50.68 3hye s ASN 152 Cb -0.04 0.28 1.53 0.00 -2.00 0.00 0.00 41.25 41.03 3hye s ASN 152 CO -0.00 -0.80 1.53 -2.65 -2.94 0.00 0.00 177.10 172.24 3hye n PRO 153 N -0.80 -0.03 0.22 3.55 -0.02 -1.17 -0.41 135.00 136.34 3hye n PRO 153 Ca -0.04 1.18 0.06 0.00 -2.02 0.00 0.00 63.50 62.68 3hye n PRO 153 Cb 0.66 -2.44 0.50 0.00 -0.02 0.00 0.00 33.50 32.20 3hye n PRO 153 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hye h SER 154 N 0.00 0.00 0.00 2.55 4.64 -1.89 -3.42 113.55 115.43 3hye h SER 154 Ca 0.88 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.20 3hye h SER 154 Cb 3.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.14 3hye h SER 154 CO -0.33 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 3hye n GLY 155 N -0.69 0.95 3.87 -0.77 0.00 0.45 -4.13 105.19 104.87 3hye n GLY 155 Ca -0.02 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3hye n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hye s ASN 156 N -2.02 6.60 0.03 1.61 3.04 -1.26 -4.56 114.94 118.38 3hye s ASN 156 Ca 0.00 0.74 0.00 0.00 0.04 0.00 0.00 52.86 53.65 3hye s ASN 156 Cb 0.00 -2.16 -0.03 0.00 -1.54 0.00 0.00 41.25 37.53 3hye s ASN 156 CO 0.00 0.15 -0.04 -0.72 -3.04 0.00 0.00 177.10 173.45 3hye s TYR 157 N -1.45 0.39 0.13 0.43 -0.85 -1.26 -3.05 117.35 111.69 3hye s TYR 157 Ca 0.34 -0.66 -0.09 0.00 -0.52 0.00 0.00 57.07 56.14 3hye s TYR 157 Cb -0.13 -0.27 -0.00 0.00 0.38 0.00 0.00 41.96 41.93 3hye s TYR 157 CO 0.19 -0.22 0.25 0.95 -1.52 0.00 0.00 175.55 175.20 3hye s THR 158 N -2.06 0.10 0.05 -3.49 -4.23 -0.80 -4.96 115.64 100.25 3hye s THR 158 Ca -0.09 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3hye s THR 158 Cb -0.06 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 3hye s THR 158 CO -0.03 -0.47 0.19 -0.83 -0.54 0.00 0.00 174.62 172.94 3hye s GLY 159 N -2.90 2.16 0.15 3.99 0.00 -1.26 -1.65 107.32 107.81 3hye s GLY 159 Ca 0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 3hye s GLY 159 CO -0.06 -0.81 0.19 -0.98 0.00 0.00 0.00 173.10 171.44 3hye s TRP 160 N -1.46 0.62 -0.22 1.90 0.52 -0.19 -4.99 118.94 115.13 3hye s TRP 160 Ca 0.33 -0.98 0.13 0.00 0.02 0.00 0.00 56.10 55.60 3hye s TRP 160 Cb -0.13 -0.25 -0.23 0.00 -1.15 0.00 0.00 33.47 31.72 3hye s TRP 160 CO 0.25 -0.64 -0.02 1.63 0.02 0.00 0.00 176.95 178.19 3hye n LYS 161 N -0.17 0.68 -3.68 4.98 5.02 -1.26 -4.16 118.16 119.57 3hye n LYS 161 Ca -0.06 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 3hye n LYS 161 Cb 0.63 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 34.04 3hye n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hye s ALA 162 N -2.50 -1.41 0.18 7.82 0.00 -1.26 0.74 121.76 125.33 3hye s ALA 162 Ca -0.17 1.66 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 3hye s ALA 162 Cb 0.07 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.27 3hye s ALA 162 CO 0.76 -0.28 0.69 -1.50 0.00 0.00 0.00 175.76 175.43 3hye s ILE 163 N 0.52 0.00 0.04 0.00 -1.16 0.44 -5.00 121.20 116.04 3hye s ILE 163 Ca -0.02 -0.34 -0.03 0.00 -0.51 0.00 0.00 60.65 59.75 3hye s ILE 163 Cb -0.04 -1.36 -0.02 0.00 0.61 0.00 0.00 42.46 41.65 3hye s ILE 163 CO -0.02 0.00 0.04 -0.94 -2.81 0.00 0.00 174.94 171.21 3hye s SER 164 N -2.78 0.27 0.04 4.50 1.04 -1.26 -0.46 113.70 115.04 3hye s SER 164 Ca 0.05 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 3hye s SER 164 Cb -0.03 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 3hye s SER 164 CO -0.06 -0.50 -0.03 0.68 0.98 0.00 0.00 173.24 174.31 3hye s VAL 165 N -2.81 0.19 0.00 5.02 -7.23 -0.40 -4.96 120.40 110.22 3hye s VAL 165 Ca -0.03 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3hye s VAL 165 Cb -0.00 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.90 3hye s VAL 165 CO -0.06 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 3hye n GLY 166 N 0.68 0.33 3.79 2.32 0.00 -1.26 -1.09 105.19 109.96 3hye n GLY 166 Ca -0.18 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 3hye n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 167 N -2.00 2.69 -1.53 4.61 0.00 -0.46 -4.07 121.76 120.99 3hye s ALA 167 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 3hye s ALA 167 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3hye s ALA 167 CO 0.00 -0.84 0.31 0.09 0.00 0.00 0.00 175.76 175.31 3hye n ASN 168 N -1.84 -0.23 0.06 0.00 3.02 -1.26 -4.63 115.26 110.38 3hye n ASN 168 Ca 0.10 -1.13 -0.09 0.00 -0.03 0.00 0.00 54.58 53.42 3hye n ASN 168 Cb 0.52 -2.36 0.03 0.00 -0.61 0.00 0.00 39.78 37.36 3hye n ASN 168 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3hye h THR 169 N -1.72 1.40 0.07 3.41 1.35 -1.93 -1.89 112.91 113.60 3hye h THR 169 Ca -0.64 -2.21 0.02 0.00 -0.55 0.00 0.00 66.41 63.04 3hye h THR 169 Cb 1.39 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 69.94 3hye h THR 169 CO 0.69 0.66 -0.27 -1.28 -0.25 0.00 0.00 175.52 175.07 3hye h SER 170 N 0.24 -0.79 -0.58 5.36 0.87 -1.93 0.80 113.55 117.52 3hye h SER 170 Ca -0.03 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3hye h SER 170 Cb 1.33 0.31 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 3hye h SER 170 CO 0.13 -0.35 0.28 0.00 -0.53 0.00 0.00 176.83 176.35 3hye h ALA 171 N 0.30 0.74 -0.60 6.23 0.00 -1.95 -2.13 119.26 121.86 3hye h ALA 171 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hye h ALA 171 Cb 0.51 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hye h ALA 171 CO -0.19 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.51 3hye h ALA 172 N 1.11 0.79 -0.46 0.00 0.00 -0.79 -2.27 119.26 117.65 3hye h ALA 172 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hye h ALA 172 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hye h ALA 172 CO -0.03 0.50 0.08 0.37 0.00 0.00 0.00 179.25 180.18 3hye h GLN 173 N 0.87 0.75 -0.82 0.00 5.75 0.74 -1.61 115.11 120.79 3hye h GLN 173 Ca 0.19 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3hye h GLN 173 Cb 0.35 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 3hye h GLN 173 CO 0.00 0.76 0.47 1.15 -2.65 0.00 0.00 178.83 178.56 3hye h THR 174 N 0.62 1.24 -0.58 2.39 2.02 -1.26 0.10 112.91 117.43 3hye h THR 174 Ca 0.14 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 3hye h THR 174 Cb 0.37 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3hye h THR 174 CO 0.01 0.26 -0.02 -0.07 0.37 0.00 0.00 175.52 176.07 3hye h LEU 175 N 1.14 1.02 -0.29 2.58 3.38 -1.21 -2.23 115.31 119.69 3hye h LEU 175 Ca 0.29 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3hye h LEU 175 Cb 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3hye h LEU 175 CO -0.05 1.08 -0.30 -0.07 0.09 0.00 0.00 178.44 179.19 3hye h LEU 176 N 0.94 0.77 -0.50 1.67 3.38 -0.91 -2.43 115.31 118.23 3hye h LEU 176 Ca 0.17 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hye h LEU 176 Cb 0.57 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hye h LEU 176 CO 0.03 1.08 0.00 1.67 0.09 0.00 0.00 178.44 181.31 3hye n GLN 177 N -4.25 0.11 0.00 1.13 7.27 0.32 -0.99 117.38 120.96 3hye n GLN 177 Ca -0.04 0.40 -0.22 0.00 0.07 0.00 0.00 57.00 57.22 3hye n GLN 177 Cb 0.48 -1.73 -0.14 0.00 2.41 0.00 0.00 30.24 31.26 3hye n GLN 177 CO 0.00 0.00 0.00 1.98 0.07 0.00 0.00 177.06 179.11 3hye h MET 178 N 0.00 0.25 -0.02 3.69 4.05 -0.98 -3.41 114.93 118.52 3hye h MET 178 Ca 0.00 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3hye h MET 178 Cb 0.25 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3hye h MET 178 CO 0.00 1.21 -0.04 -0.25 0.23 0.00 0.00 176.91 178.05 3hye n ASP 179 N -3.61 1.98 -4.78 1.39 8.00 -0.95 -5.01 116.55 113.56 3hye n ASP 179 Ca -0.31 -1.49 -0.37 0.00 0.71 0.00 0.00 54.79 53.33 3hye n ASP 179 Cb 1.01 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 42.14 3hye n ASP 179 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3hye s TYR 180 N -1.18 3.34 -0.10 1.24 5.04 -0.16 -5.05 117.35 120.47 3hye s TYR 180 Ca 0.15 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.39 3hye s TYR 180 Cb 0.11 -3.11 0.05 0.00 0.35 0.00 0.00 41.96 39.36 3hye s TYR 180 CO 0.19 -0.51 0.22 -1.59 -1.34 0.00 0.00 175.55 172.51 3hye s LYS 181 N -2.40 0.16 0.37 4.97 -2.85 -1.26 -5.00 119.74 113.72 3hye s LYS 181 Ca 0.56 0.53 0.21 0.00 -1.00 0.00 0.00 55.97 56.27 3hye s LYS 181 Cb -0.22 -0.14 1.31 0.00 -2.06 0.00 0.00 37.83 36.73 3hye s LYS 181 CO 0.28 -0.19 1.60 -0.44 0.10 0.00 0.00 175.35 176.69 3hye h ASP 182 N 7.46 0.35 -0.22 0.03 3.45 -1.96 0.25 116.42 125.78 3hye h ASP 182 Ca -0.35 0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.34 3hye h ASP 182 Cb 1.14 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 3hye h ASP 182 CO 0.33 -0.36 0.00 -0.90 -1.57 0.00 0.00 179.24 176.74 3hye n ASP 183 N -5.17 1.63 -4.33 6.45 5.68 -1.26 -4.55 116.55 115.00 3hye n ASP 183 Ca 0.37 -2.09 -0.33 0.00 -0.50 0.00 0.00 54.79 52.25 3hye n ASP 183 Cb 1.25 -0.27 0.14 0.00 -1.14 0.00 0.00 41.12 41.10 3hye n ASP 183 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3hye n MET 184 N 0.20 -0.95 -4.30 0.11 2.81 0.89 -4.82 117.12 111.06 3hye n MET 184 Ca 0.08 -0.25 -0.23 0.00 -1.81 0.00 0.00 57.70 55.49 3hye n MET 184 Cb 0.30 -1.74 -0.12 0.00 -0.71 0.00 0.00 33.22 30.95 3hye n MET 184 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3hye s LYS 185 N -3.47 1.18 0.31 0.03 2.36 -1.26 -2.85 119.74 116.03 3hye s LYS 185 Ca 0.56 -1.24 0.03 0.00 -2.55 0.00 0.00 55.97 52.77 3hye s LYS 185 Cb -0.16 -1.39 0.79 0.00 -1.05 0.00 0.00 37.83 36.02 3hye s LYS 185 CO 0.67 0.31 1.59 0.28 1.55 0.00 0.00 175.35 179.76 3hye h VAL 186 N 3.82 0.11 -0.14 4.02 2.07 -1.88 0.64 116.25 124.88 3hye h VAL 186 Ca -0.45 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3hye h VAL 186 Cb 1.19 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3hye h VAL 186 CO 0.43 0.01 -0.28 0.44 0.02 0.00 0.00 177.57 178.19 3hye h ASP 187 N 0.06 0.26 -0.13 0.57 5.19 -1.98 0.88 116.42 121.28 3hye h ASP 187 Ca 0.60 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.89 3hye h ASP 187 Cb 1.29 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 3hye h ASP 187 CO -0.83 0.54 -0.07 0.44 -3.12 0.00 0.00 179.24 176.21 3hye h ASP 188 N 0.24 0.28 -0.63 6.45 3.45 -0.24 -2.98 116.42 123.00 3hye h ASP 188 Ca 0.04 -0.43 0.04 0.00 0.43 0.00 0.00 57.03 57.11 3hye h ASP 188 Cb 0.62 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 39.27 3hye h ASP 188 CO 0.04 0.64 0.37 0.00 -1.57 0.00 0.00 179.24 178.73 3hye h ALA 189 N 0.64 0.82 -0.80 3.45 0.00 -0.47 -0.64 119.26 122.26 3hye h ALA 189 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hye h ALA 189 Cb 0.54 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3hye h ALA 189 CO 0.02 0.09 0.48 0.82 0.00 0.00 0.00 179.25 180.66 3hye h ILE 190 N 0.72 1.01 -0.37 0.00 2.04 -0.81 -0.26 117.51 119.84 3hye h ILE 190 Ca 0.26 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 3hye h ILE 190 Cb 0.07 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 3hye h ILE 190 CO -0.13 0.16 -0.09 -0.08 0.00 0.00 0.00 178.15 178.02 3hye h GLU 191 N 0.87 0.71 -0.49 2.37 4.81 -1.24 -2.45 114.58 119.16 3hye h GLU 191 Ca 0.36 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hye h GLU 191 Cb 0.20 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3hye h GLU 191 CO -0.18 0.86 0.31 1.25 -0.73 0.00 0.00 179.01 180.51 3hye h LEU 192 N 0.51 0.52 0.04 1.64 6.46 -0.42 -1.05 115.31 123.00 3hye h LEU 192 Ca 0.09 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 3hye h LEU 192 Cb 0.59 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 3hye h LEU 192 CO 0.04 0.37 -0.18 0.00 -0.62 0.00 0.00 178.44 178.04 3hye h ALA 193 N 1.20 -0.25 -0.68 1.25 0.00 -0.97 -0.13 119.26 119.68 3hye h ALA 193 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 193 Cb -0.03 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hye h ALA 193 CO -0.06 -0.69 0.38 -0.07 0.00 0.00 0.00 179.25 178.81 3hye h LEU 194 N -0.31 0.84 -0.25 0.00 3.38 -1.23 -1.70 115.31 116.05 3hye h LEU 194 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hye h LEU 194 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hye h LEU 194 CO -0.14 0.69 0.16 0.11 0.09 0.00 0.00 178.44 179.34 3hye h LYS 195 N 0.93 0.31 -0.15 1.13 1.79 -0.91 0.32 116.57 119.99 3hye h LYS 195 Ca 0.24 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.71 3hye h LYS 195 Cb 0.03 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3hye h LYS 195 CO -0.04 0.21 0.05 1.15 -1.08 0.00 0.00 179.45 179.73 3hye h THR 196 N 0.32 0.96 -0.64 -0.16 2.02 -0.73 -1.26 112.91 113.42 3hye h THR 196 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3hye h THR 196 Cb -0.03 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3hye h THR 196 CO -0.03 0.02 0.37 -0.07 0.37 0.00 0.00 175.52 176.18 3hye h LEU 197 N 0.12 0.79 -1.28 2.58 3.38 -1.17 -2.30 115.31 117.43 3hye h LEU 197 Ca 0.06 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.09 3hye h LEU 197 Cb 0.04 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3hye h LEU 197 CO -0.07 0.64 0.57 -1.28 0.09 0.00 0.00 178.44 178.39 3hye h SER 198 N 0.87 0.68 0.74 -0.43 0.87 -0.37 0.42 113.55 116.33 3hye h SER 198 Ca 0.23 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3hye h SER 198 Cb 0.02 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3hye h SER 198 CO -0.04 0.36 -0.47 0.29 -0.53 0.00 0.00 176.83 176.44 3hye n LYS 199 N -4.55 0.13 0.00 2.24 5.02 -0.52 -4.06 118.16 116.41 3hye n LYS 199 Ca 0.17 0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.56 3hye n LYS 199 Cb 0.43 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 3hye n LYS 199 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hye n THR 200 N -1.77 0.00 -1.73 -0.18 -2.24 -0.51 -5.01 114.28 102.83 3hye n THR 200 Ca 0.05 -0.29 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 3hye n THR 200 Cb 0.38 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3hye n THR 200 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hye n THR 202 N -0.70 2.23 1.36 4.28 -1.04 0.02 -4.87 114.28 115.57 3hye n THR 202 Ca 0.04 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.68 3hye n THR 202 Cb 0.24 -1.74 0.41 0.00 -1.82 0.00 0.00 70.33 67.41 3hye n THR 202 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hye n ASP 203 N 0.41 1.92 -4.97 8.00 8.00 -1.26 -4.90 116.55 123.74 3hye n ASP 203 Ca 0.04 -1.64 -0.22 0.00 0.71 0.00 0.00 54.79 53.69 3hye n ASP 203 Cb 0.38 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.50 3hye n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3hye s SER 204 N -2.00 5.68 0.00 -2.24 0.01 -1.26 -5.06 113.70 108.83 3hye s SER 204 Ca 0.35 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.71 3hye s SER 204 Cb 0.21 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 65.18 3hye s SER 204 CO 0.33 -0.79 0.58 -1.20 0.41 0.00 0.00 173.24 172.56 3hye n SER 20 N -2.08 0.00 -4.77 2.44 7.64 -1.26 -4.86 113.62 110.73 3hye n SER 20 Ca 0.03 0.58 -0.28 0.00 1.01 0.00 0.00 58.87 60.21 3hye n SER 20 Cb 0.58 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 3hye n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hye s ALA 20 N -2.48 3.88 -0.46 -0.43 0.00 -1.26 -5.08 121.76 115.94 3hye s ALA 20 Ca 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 3hye s ALA 20 Cb 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 23.12 23.00 3hye s ALA 20 CO 0.00 -0.17 0.28 -1.17 0.00 0.00 0.00 175.76 174.69 3hye s LEU 205 N -3.95 5.34 0.44 0.00 2.96 -1.26 -5.07 118.68 117.14 3hye s LEU 205 Ca 0.27 -2.16 0.05 0.00 -0.22 0.00 0.00 54.13 52.07 3hye s LEU 205 Cb 0.03 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.86 3hye s LEU 205 CO 0.15 -0.54 0.61 0.42 -1.32 0.00 0.00 176.35 175.67 3hye s THR 206 N 0.96 3.25 0.26 3.68 -4.23 -1.26 -4.99 115.64 113.30 3hye s THR 206 Ca 0.09 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 3hye s THR 206 Cb -0.23 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.53 3hye s THR 206 CO -0.04 -0.07 1.68 0.10 -0.54 0.00 0.00 174.62 175.76 3hye h TYR 207 N 0.53 0.62 0.00 3.99 -0.00 -1.91 -2.86 116.97 117.34 3hye h TYR 207 Ca -0.42 -0.14 0.00 0.00 -0.00 0.00 0.00 58.73 58.17 3hye h TYR 207 Cb 1.28 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 37.86 3hye h TYR 207 CO 0.40 0.77 0.00 -0.40 -0.00 0.00 0.00 178.16 178.93 3hye n ASP 208 N -4.10 0.37 -1.06 0.10 5.75 -1.26 -1.61 116.55 114.74 3hye n ASP 208 Ca -0.00 0.64 0.08 0.00 -0.01 0.00 0.00 54.79 55.50 3hye n ASP 208 Cb 0.43 -0.70 0.26 0.00 -1.03 0.00 0.00 41.12 40.07 3hye n ASP 208 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hye n ARG 209 N -1.97 3.20 -4.25 0.11 1.74 -1.08 -4.94 116.66 109.47 3hye n ARG 209 Ca 0.00 -2.58 -0.17 0.00 -0.77 0.00 0.00 57.85 54.33 3hye n ARG 209 Cb 0.08 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 29.76 3hye n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hye s LEU 210 N -1.81 2.45 -0.02 0.55 1.43 -0.63 0.02 118.68 120.67 3hye s LEU 210 Ca 0.39 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3hye s LEU 210 Cb 0.26 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.99 3hye s LEU 210 CO 0.17 -0.20 -0.07 -1.61 0.23 0.00 0.00 176.35 174.87 3hye s GLU 211 N -3.03 0.77 0.00 1.70 2.02 -0.80 -4.91 118.70 114.45 3hye s GLU 211 Ca 0.12 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3hye s GLU 211 Cb -0.03 -0.74 -0.00 0.00 0.10 0.00 0.00 34.13 33.46 3hye s GLU 211 CO 0.03 0.09 -0.01 0.12 0.02 0.00 0.00 175.26 175.51 3hye s PHE 212 N 0.17 0.12 -0.03 1.61 5.36 -1.26 -1.72 117.98 122.24 3hye s PHE 212 Ca -0.02 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 55.66 3hye s PHE 212 Cb -0.07 -0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.55 3hye s PHE 212 CO 0.00 -0.04 0.36 0.00 -1.46 0.00 0.00 175.22 174.08 3hye s ALA 213 N -0.31 -0.91 0.02 11.12 0.00 -0.13 0.30 121.76 131.86 3hye s ALA 213 Ca -0.03 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3hye s ALA 213 Cb -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3hye s ALA 213 CO -0.00 -0.27 -0.04 0.95 0.00 0.00 0.00 175.76 176.40 3hye s THR 214 N -1.21 0.24 -0.30 0.00 -4.23 -0.63 -0.54 115.64 108.97 3hye s THR 214 Ca -0.12 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 3hye s THR 214 Cb -0.04 -0.33 0.08 0.00 1.34 0.00 0.00 72.50 73.55 3hye s THR 214 CO 0.05 -0.34 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.15 3hye s ILE 215 N -1.10 2.03 0.28 2.99 1.01 -0.39 -0.62 121.20 125.41 3hye s ILE 215 Ca -0.10 -1.92 0.10 0.00 0.00 0.00 0.00 60.65 58.73 3hye s ILE 215 Cb -0.08 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3hye s ILE 215 CO -0.00 -0.37 -0.16 -0.13 0.00 0.00 0.00 174.94 174.28 3hye s ARG 216 N 1.08 1.64 -0.87 2.79 0.52 -0.43 -1.51 118.95 122.17 3hye s ARG 216 Ca 0.03 -1.78 0.01 0.00 -0.52 0.00 0.00 55.73 53.47 3hye s ARG 216 Cb -0.19 -1.59 0.29 0.00 0.52 0.00 0.00 34.95 33.98 3hye s ARG 216 CO -0.08 0.24 1.23 1.17 0.02 0.00 0.00 175.30 177.87 3hye n LYS 21 N -0.61 3.83 -0.63 3.54 4.81 -1.26 0.41 118.16 128.25 3hye n LYS 21 Ca -0.06 -4.65 -0.21 0.00 -0.87 0.00 0.00 58.31 52.53 3hye n LYS 21 Cb 0.61 -2.39 -0.06 0.00 0.02 0.00 0.00 35.03 33.21 3hye n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hye n GLY 21 N 0.80 -0.17 0.33 3.14 0.00 -1.24 -4.72 105.19 103.33 3hye n GLY 21 Ca 0.31 0.51 0.13 0.00 0.00 0.00 0.00 46.02 46.97 3hye n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye n ALA 217 N 4.20 0.46 -1.68 4.61 0.00 -1.26 -2.24 120.51 124.61 3hye n ALA 217 Ca 0.28 1.01 -0.41 0.00 0.00 0.00 0.00 53.44 54.31 3hye n ALA 217 Cb 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 3hye n ALA 217 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hye n ASN 218 N -5.41 4.78 0.00 0.00 4.05 -1.26 -4.00 115.26 113.43 3hye n ASN 218 Ca 0.22 -2.81 0.00 0.00 0.45 0.00 0.00 54.58 52.44 3hye n ASN 218 Cb 0.71 -1.63 0.00 0.00 1.23 0.00 0.00 39.78 40.08 3hye n ASN 218 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3hye n ASP 21 N 5.56 0.00 0.00 1.20 2.03 -0.95 -5.01 116.55 119.38 3hye n ASP 21 Ca 0.56 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.87 3hye n ASP 21 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 3hye n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hye n GLY 21 N 0.00 0.88 3.83 0.27 0.00 -1.18 -5.11 105.19 103.88 3hye n GLY 21 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3hye n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hye s GLU 219 N -0.28 2.25 -0.17 1.61 2.12 -1.26 -5.05 118.70 117.93 3hye s GLU 219 Ca 0.00 -2.02 -0.11 0.00 0.36 0.00 0.00 54.97 53.20 3hye s GLU 219 Cb 0.00 -1.97 -0.05 0.00 0.26 0.00 0.00 34.13 32.37 3hye s GLU 219 CO 0.00 -0.40 0.20 0.08 -0.54 0.00 0.00 175.26 174.60 3hye s VAL 21 N -2.73 5.37 -0.06 3.70 1.01 -1.26 -3.68 120.40 122.74 3hye s VAL 21 Ca 0.31 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.70 3hye s VAL 21 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3hye s VAL 21 CO 0.18 0.45 -0.22 -0.47 0.00 0.00 0.00 175.10 175.05 3hye s TYR 220 N 0.16 2.20 -0.18 5.22 6.14 0.17 -4.94 117.35 126.11 3hye s TYR 220 Ca 0.13 -0.71 -0.08 0.00 0.64 0.00 0.00 57.07 57.05 3hye s TYR 220 Cb -0.12 -1.46 -0.04 0.00 0.42 0.00 0.00 41.96 40.76 3hye s TYR 220 CO 0.02 -0.25 0.07 -0.65 0.64 0.00 0.00 175.55 175.37 3hye s GLN 221 N 0.05 3.98 -0.27 4.97 -0.21 -1.26 -1.31 119.66 125.61 3hye s GLN 221 Ca -0.07 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 54.98 3hye s GLN 221 Cb -0.14 -3.23 0.07 0.00 1.00 0.00 0.00 33.01 30.72 3hye s GLN 221 CO 0.04 0.27 -0.01 0.21 -2.12 0.00 0.00 175.29 173.67 3hye s LYS 222 N 0.39 1.51 -0.58 2.91 2.20 0.21 -4.98 119.74 121.41 3hye s LYS 222 Ca 0.03 -1.21 -0.21 0.00 -0.36 0.00 0.00 55.97 54.22 3hye s LYS 222 Cb -0.12 -2.65 0.07 0.00 -1.51 0.00 0.00 37.83 33.62 3hye s LYS 222 CO 0.00 -0.72 0.80 0.42 -0.36 0.00 0.00 175.35 175.49 3hye s ILE 223 N 1.30 4.61 0.41 5.43 1.09 -1.26 -1.61 121.20 131.18 3hye s ILE 223 Ca -0.00 -0.41 -0.24 0.00 -1.10 0.00 0.00 60.65 58.90 3hye s ILE 223 Cb -0.19 -4.49 -0.11 0.00 -1.06 0.00 0.00 42.46 36.60 3hye s ILE 223 CO -0.09 -1.12 0.85 0.49 -0.10 0.00 0.00 174.94 174.98 3hye n PHE 224 N 6.89 0.62 -3.40 3.97 0.99 0.15 -4.97 117.46 121.70 3hye n PHE 224 Ca -0.05 0.59 -0.28 0.00 -0.00 0.00 0.00 57.45 57.72 3hye n PHE 224 Cb 0.45 -2.15 -0.03 0.00 -1.00 0.00 0.00 39.48 36.75 3hye n PHE 224 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3hye s LYS 225 N -1.83 3.59 0.20 -1.08 1.02 -1.26 -4.61 119.74 115.76 3hye s LYS 225 Ca 0.63 -0.11 -0.17 0.00 0.02 0.00 0.00 55.97 56.34 3hye s LYS 225 Cb -0.59 -2.68 0.18 0.00 -0.52 0.00 0.00 37.83 34.22 3hye s LYS 225 CO 0.57 0.24 1.38 -2.30 -0.92 0.00 0.00 175.35 174.31 3hye n PRO 226 N -1.02 -0.23 -0.16 -1.68 -0.02 -1.26 0.81 135.00 131.44 3hye n PRO 226 Ca -0.03 1.36 0.02 0.00 -2.02 0.00 0.00 63.50 62.84 3hye n PRO 226 Cb 0.54 -2.02 0.30 0.00 -0.02 0.00 0.00 33.50 32.30 3hye n PRO 226 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3hye h GLN 227 N 0.00 0.85 -0.55 -0.52 5.75 -1.98 -0.53 115.11 118.13 3hye h GLN 227 Ca 0.29 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.68 3hye h GLN 227 Cb 0.51 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 3hye h GLN 227 CO -0.88 0.56 0.12 0.93 -2.65 0.00 0.00 178.83 176.91 3hye h GLU 228 N 0.87 0.86 -0.13 1.69 5.08 0.04 -0.45 114.58 122.53 3hye h GLU 228 Ca 0.25 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3hye h GLU 228 Cb -0.06 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.07 3hye h GLU 228 CO -0.06 0.78 -0.49 0.82 -1.00 0.00 0.00 179.01 179.06 3hye h ILE 229 N 0.82 1.35 -0.72 3.13 2.04 -0.47 -2.58 117.51 121.09 3hye h ILE 229 Ca 0.18 -1.78 0.08 0.00 1.00 0.00 0.00 64.86 64.34 3hye h ILE 229 Cb 0.33 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 3hye h ILE 229 CO 0.00 0.54 0.38 0.50 0.00 0.00 0.00 178.15 179.57 3hye h LYS 230 N 0.20 0.63 0.73 2.37 3.64 -0.77 -0.49 116.57 122.88 3hye h LYS 230 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3hye h LYS 230 Cb 1.12 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3hye h LYS 230 CO 0.10 0.42 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.89 3hye h ASP 231 N 0.65 -0.91 -0.19 4.20 3.45 -1.03 -2.80 116.42 119.80 3hye h ASP 231 Ca 0.34 0.04 0.06 0.00 0.43 0.00 0.00 57.03 57.90 3hye h ASP 231 Cb 0.32 0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 3hye h ASP 231 CO -0.24 -0.62 0.23 -0.29 -1.57 0.00 0.00 179.24 176.75 3hye h ILE 232 N -1.01 0.41 -0.47 0.35 2.10 -1.27 -0.36 117.51 117.26 3hye h ILE 232 Ca -0.10 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.70 3hye h ILE 232 Cb 0.78 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 3hye h ILE 232 CO 0.15 0.00 -0.24 0.25 -1.08 0.00 0.00 178.15 177.23 3hye h LEU 233 N 0.00 1.01 0.08 2.19 5.85 -0.84 -2.19 115.31 121.41 3hye h LEU 233 Ca 0.09 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3hye h LEU 233 Cb 0.55 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hye h LEU 233 CO -0.00 1.19 -0.04 0.58 -0.34 0.00 0.00 178.44 179.84 3hye h VAL 234 N 0.84 1.20 -0.32 1.05 2.07 -0.84 -0.94 116.25 119.31 3hye h VAL 234 Ca 0.10 -1.21 0.07 0.00 0.82 0.00 0.00 66.70 66.48 3hye h VAL 234 Cb 0.82 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 3hye h VAL 234 CO 0.07 0.29 -0.26 0.11 0.02 0.00 0.00 177.57 177.80 3hye h LYS 235 N -0.68 -0.22 0.00 1.57 1.79 -1.42 0.24 116.57 117.85 3hye h LYS 235 Ca -0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hye h LYS 235 Cb 0.55 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3hye h LYS 235 CO 0.02 -0.15 0.00 0.25 -1.08 0.00 0.00 179.45 178.49 3hye n THR 236 N -5.39 0.00 -2.55 -0.16 -2.24 -0.83 -4.82 114.28 98.29 3hye n THR 236 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 3hye n THR 236 Cb 0.31 -0.76 0.02 0.00 -2.10 0.00 0.00 70.33 67.80 3hye n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hye n GLY 237 N -0.42 0.45 0.00 3.38 0.00 0.84 -4.94 105.19 104.51 3hye n GLY 237 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3hye n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hye n ILE 238 N -2.44 0.00 -0.25 -0.61 5.41 -0.44 -5.04 119.36 115.99 3hye n ILE 238 Ca -0.03 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.40 3hye n ILE 238 Cb 0.52 1.05 0.00 0.00 -0.71 0.00 0.00 39.64 40.51 3hye n ILE 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96