#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s ARG 10 N 0.00 0.21 0.58 -0.67 3.52 -1.26 -5.15 118.95 116.19 3hye s ARG 10 Ca 0.00 0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.78 3hye s ARG 10 Cb 0.00 0.01 -0.07 0.00 -1.56 0.00 0.00 34.95 33.33 3hye s ARG 10 CO 0.00 -0.08 0.72 0.41 -0.81 0.00 0.00 175.30 175.54 3hye n GLY 11 N 3.46 -0.98 0.02 8.12 0.00 -1.26 -4.87 105.19 109.69 3hye n GLY 11 Ca -0.18 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 45.85 3hye n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hye n VAL 12 N -1.70 0.00 -2.50 1.61 0.24 -1.26 -3.33 118.33 111.39 3hye n VAL 12 Ca 0.13 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 62.29 3hye n VAL 12 Cb 0.47 -0.46 0.03 0.00 -1.47 0.00 0.00 33.84 32.41 3hye n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hye n SER 13 N -0.96 3.06 -4.87 -1.34 3.41 -1.26 -4.54 113.62 107.12 3hye n SER 13 Ca 0.23 -2.92 -0.34 0.00 -0.26 0.00 0.00 58.87 55.59 3hye n SER 13 Cb 0.12 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 3hye n SER 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hye s THR 14 N -4.19 5.02 0.08 6.66 2.01 -1.21 -5.04 115.64 118.97 3hye s THR 14 Ca 0.38 0.48 -0.12 0.00 0.31 0.00 0.00 61.69 62.74 3hye s THR 14 Cb 0.38 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 3hye s THR 14 CO -0.02 0.17 0.44 -0.36 -0.69 0.00 0.00 174.62 174.16 3hye s PHE 15 N -1.53 3.62 0.68 4.92 0.08 -1.26 -3.03 117.98 121.46 3hye s PHE 15 Ca 0.38 0.89 -0.08 0.00 0.12 0.00 0.00 56.93 58.24 3hye s PHE 15 Cb -0.13 -2.23 0.03 0.00 -0.57 0.00 0.00 43.02 40.12 3hye s PHE 15 CO 0.20 0.52 1.02 -1.54 -0.10 0.00 0.00 175.22 175.32 3hye s SER 16 N -1.62 5.18 0.43 1.36 1.04 0.27 -4.90 113.70 115.46 3hye s SER 16 Ca 0.32 0.74 0.29 0.00 0.48 0.00 0.00 55.95 57.79 3hye s SER 16 Cb -0.15 -1.52 1.50 0.00 0.10 0.00 0.00 66.02 65.95 3hye s SER 16 CO 0.17 -1.40 1.89 -0.65 0.98 0.00 0.00 173.24 174.24 3hye h PRO 17 N -0.53 0.00 -0.00 4.02 0.11 -1.99 -0.90 132.00 132.71 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 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hye h PRO 17 CO 0.62 0.00 -0.25 0.39 -0.21 0.00 0.00 178.00 178.55 3hye n GLU 18 N -2.56 0.33 -0.79 1.05 4.71 -1.26 -4.93 120.64 117.19 3hye n GLU 18 Ca -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 3hye n GLU 18 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 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 1.41 1.28 3.41 0.62 0.00 -0.34 -5.09 105.19 106.47 3hye n GLY 19 Ca 0.09 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.12 1.47 -0.43 1.61 0.52 -1.26 -4.86 118.95 113.87 3hye s ARG 20 Ca 0.00 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 53.53 3hye s ARG 20 Cb 0.00 -1.82 0.02 0.00 0.52 0.00 0.00 34.95 33.68 3hye s ARG 20 CO 0.00 0.40 0.67 -0.51 0.02 0.00 0.00 175.30 175.89 3hye s LEU 21 N -2.51 4.42 0.20 2.53 1.43 -1.26 0.94 118.68 124.44 3hye s LEU 21 Ca 0.18 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.82 3hye s LEU 21 Cb -0.08 -2.79 0.12 0.00 0.03 0.00 0.00 46.19 43.47 3hye s LEU 21 CO 0.09 -0.79 1.55 -0.26 0.23 0.00 0.00 176.35 177.17 3hye h PHE 22 N 8.86 -1.35 -0.88 0.29 -1.00 -1.89 0.32 116.94 121.28 3hye h PHE 22 Ca -0.25 0.11 0.10 0.00 2.81 0.00 0.00 57.97 60.73 3hye h PHE 22 Cb 1.09 0.72 -0.06 0.00 3.61 0.00 0.00 35.95 41.31 3hye h PHE 22 CO 0.74 -0.40 0.57 1.96 -1.61 0.00 0.00 178.31 179.57 3hye h GLN 23 N -0.04 0.83 -0.27 1.51 1.08 -1.85 0.62 115.11 116.99 3hye h GLN 23 Ca 0.27 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.34 3hye h GLN 23 Cb 0.54 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3hye h GLN 23 CO -0.92 0.55 -0.14 0.28 -0.95 0.00 0.00 178.83 177.65 3hye h VAL 24 N 0.85 1.30 -0.31 -0.54 2.07 -1.31 -1.39 116.25 116.92 3hye h VAL 24 Ca 0.41 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3hye h VAL 24 Cb 0.43 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3hye h VAL 24 CO -0.17 0.39 0.09 -0.33 0.02 0.00 0.00 177.57 177.57 3hye h GLU 25 N 0.30 0.48 0.00 1.57 4.39 -0.63 -1.86 114.58 118.84 3hye h GLU 25 Ca 0.06 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3hye h GLU 25 Cb 0.65 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3hye h GLU 25 CO 0.04 0.53 -0.16 1.88 -1.16 0.00 0.00 179.01 180.14 3hye h TYR 26 N 0.34 0.00 -0.48 4.33 0.05 -0.91 -1.59 116.97 118.71 3hye h TYR 26 Ca 0.10 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 3hye h TYR 26 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3hye h TYR 26 CO 0.01 0.16 0.05 1.03 -1.05 0.00 0.00 178.16 178.36 3hye h SER 27 N 0.00 0.79 0.06 3.88 0.87 -0.62 -2.46 113.55 116.06 3hye h SER 27 Ca -0.00 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 3hye h SER 27 Cb 0.33 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3hye h SER 27 CO 0.02 0.87 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.07 3hye h LEU 28 N 0.68 0.00 -0.44 2.23 4.07 -0.51 -1.97 115.31 119.37 3hye h LEU 28 Ca 0.14 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.96 3hye h LEU 28 Cb 0.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 3hye h LEU 28 CO 0.01 0.04 -0.30 -0.33 -1.08 0.00 0.00 178.44 176.79 3hye h GLU 29 N 0.00 0.98 -0.40 1.13 4.39 -1.19 -2.53 114.58 116.96 3hye h GLU 29 Ca -0.00 -0.46 -0.06 0.00 0.34 0.00 0.00 59.36 59.17 3hye h GLU 29 Cb 0.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3hye h GLU 29 CO 0.01 1.13 -0.01 0.00 -1.16 0.00 0.00 179.01 178.98 3hye h ALA 30 N 0.82 1.24 -0.16 3.43 0.00 -1.23 -2.36 119.26 121.00 3hye h ALA 30 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3hye h ALA 30 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hye h ALA 30 CO 0.08 0.50 -0.21 0.82 0.00 0.00 0.00 179.25 180.45 3hye h ILE 31 N 0.60 1.22 0.00 0.00 2.04 -1.21 -2.34 117.51 117.83 3hye h ILE 31 Ca 0.12 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 3hye h ILE 31 Cb 0.40 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3hye h ILE 31 CO 0.02 0.32 -0.16 0.11 0.00 0.00 0.00 178.15 178.43 3hye h LYS 32 N 0.26 0.00 0.00 2.37 1.57 -1.00 -2.05 116.57 117.72 3hye h LYS 32 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hye h LYS 32 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hye h LYS 32 CO 0.03 0.16 -0.03 1.28 -0.57 0.00 0.00 179.45 180.33 3hye n LEU 33 N -4.33 0.23 -4.77 2.94 4.77 -0.88 -1.93 117.00 113.03 3hye n LEU 33 Ca -0.03 0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 56.16 3hye n LEU 33 Cb 0.23 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 41.01 3hye n LEU 33 CO 0.36 -0.04 0.70 -0.83 -1.33 0.00 0.00 177.39 176.25 3hye s GLY 34 N -3.15 1.58 0.63 -0.72 0.00 -0.77 -4.72 107.32 100.15 3hye s GLY 34 Ca 0.13 -0.48 -0.17 0.00 0.00 0.00 0.00 44.72 44.20 3hye s GLY 34 CO 0.56 0.08 1.15 -0.56 0.00 0.00 0.00 173.10 174.33 3hye s SER 35 N -3.93 5.11 0.41 1.64 0.01 -1.26 -0.69 113.70 114.98 3hye s SER 35 Ca 0.64 2.20 -0.24 0.00 1.31 0.00 0.00 55.95 59.85 3hye s SER 35 Cb -0.15 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 3hye s SER 35 CO 0.54 -1.63 1.12 -0.89 0.41 0.00 0.00 173.24 172.78 3hye s THR 36 N -1.96 3.38 -0.03 1.44 2.01 -1.26 -4.41 115.64 114.81 3hye s THR 36 Ca 0.72 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.81 3hye s THR 36 Cb -0.25 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.69 3hye s THR 36 CO 0.37 0.05 0.07 0.00 -0.69 0.00 0.00 174.62 174.41 3hye s ALA 37 N -1.52 -0.09 0.01 7.40 0.00 0.13 -1.21 121.76 126.48 3hye s ALA 37 Ca 0.58 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.91 3hye s ALA 37 Cb -0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3hye s ALA 37 CO 0.34 -0.09 -0.13 0.42 0.00 0.00 0.00 175.76 176.30 3hye s ILE 38 N 0.66 0.99 -0.03 0.00 1.01 0.71 -1.09 121.20 123.46 3hye s ILE 38 Ca -0.05 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.87 3hye s ILE 38 Cb -0.07 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3hye s ILE 38 CO -0.02 0.12 -0.07 -0.83 0.00 0.00 0.00 174.94 174.13 3hye s GLY 39 N -0.72 0.49 -0.09 6.18 0.00 0.11 -0.38 107.32 112.91 3hye s GLY 39 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.53 3hye s GLY 39 CO 0.00 0.09 -0.11 -0.42 0.00 0.00 0.00 173.10 172.66 3hye s ILE 40 N 0.42 1.18 -0.21 0.90 -1.09 -0.13 -0.84 121.20 121.42 3hye s ILE 40 Ca -0.06 -0.45 -0.06 0.00 -2.23 0.00 0.00 60.65 57.84 3hye s ILE 40 Cb -0.10 -1.11 -0.03 0.00 -1.58 0.00 0.00 42.46 39.64 3hye s ILE 40 CO 0.01 0.38 0.03 0.00 -1.23 0.00 0.00 174.94 174.13 3hye s ALA 41 N 1.05 3.13 0.24 9.38 0.00 0.42 -0.42 121.76 135.57 3hye s ALA 41 Ca -0.07 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3hye s ALA 41 Cb -0.15 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 3hye s ALA 41 CO -0.01 -0.21 -0.07 0.95 0.00 0.00 0.00 175.76 176.41 3hye s THR 42 N 1.11 1.51 -2.00 0.00 -4.23 0.10 -4.88 115.64 107.25 3hye s THR 42 Ca 0.03 -2.13 0.12 0.00 -1.18 0.00 0.00 61.69 58.54 3hye s THR 42 Cb -0.14 -2.27 0.36 0.00 1.34 0.00 0.00 72.50 71.78 3hye s THR 42 CO 0.02 -0.42 1.17 0.29 -0.54 0.00 0.00 174.62 175.15 3hye n LYS 43 N -0.47 0.39 -0.05 3.99 5.02 -1.26 -1.12 118.16 124.67 3hye n LYS 43 Ca -0.06 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.27 3hye n LYS 43 Cb 0.62 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.21 3hye n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hye n GLU 44 N -0.99 1.14 0.00 1.97 1.02 -1.26 -5.01 120.64 117.50 3hye n GLU 44 Ca 0.09 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 3hye n GLU 44 Cb 0.04 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3hye n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hye n GLY 45 N 0.49 0.99 3.09 0.62 0.00 -0.27 -4.79 105.19 105.32 3hye n GLY 45 Ca 0.07 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 3hye n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 46 N -1.22 1.36 -0.07 1.61 1.01 -0.88 0.00 120.40 122.20 3hye s VAL 46 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3hye s VAL 46 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3hye s VAL 46 CO 0.00 0.40 0.10 -0.69 0.00 0.00 0.00 175.10 174.91 3hye s VAL 47 N 0.34 5.04 -0.07 2.92 1.01 0.45 -1.64 120.40 128.43 3hye s VAL 47 Ca -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 3hye s VAL 47 Cb -0.14 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.04 3hye s VAL 47 CO 0.04 0.52 -0.03 -0.76 0.00 0.00 0.00 175.10 174.86 3hye s LEU 48 N -1.28 0.93 0.08 3.92 1.02 -0.15 -0.96 118.68 122.24 3hye s LEU 48 Ca 0.18 -0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.23 3hye s LEU 48 Cb -0.12 -0.54 -0.03 0.00 0.02 0.00 0.00 46.19 45.52 3hye s LEU 48 CO 0.08 -0.14 -0.14 -0.83 0.02 0.00 0.00 176.35 175.34 3hye s GLY 49 N 1.62 0.92 0.05 -3.19 0.00 0.49 -1.37 107.32 105.84 3hye s GLY 49 Ca 0.01 -1.07 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 3hye s GLY 49 CO -0.04 -1.11 0.08 -1.34 0.00 0.00 0.00 173.10 170.69 3hye s VAL 50 N -1.49 0.15 -0.38 1.40 -7.23 -0.65 -0.20 120.40 111.99 3hye s VAL 50 Ca 0.01 -1.21 -0.19 0.00 -1.81 0.00 0.00 61.98 58.78 3hye s VAL 50 Cb -0.09 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3hye s VAL 50 CO 0.02 -0.67 0.56 -0.70 -0.31 0.00 0.00 175.10 174.01 3hye s GLU 51 N -2.92 3.50 0.10 4.82 2.12 -0.35 -1.77 118.70 124.19 3hye s GLU 51 Ca -0.02 -0.23 -0.32 0.00 0.36 0.00 0.00 54.97 54.76 3hye s GLU 51 Cb 0.01 -3.86 -0.13 0.00 0.26 0.00 0.00 34.13 30.41 3hye s GLU 51 CO -0.06 -0.77 1.60 0.87 -0.54 0.00 0.00 175.26 176.36 3hye h LYS 52 N 8.59 -0.73 -5.53 4.30 6.56 -1.00 -3.42 116.57 125.33 3hye h LYS 52 Ca -0.27 0.05 -0.27 0.00 -1.06 0.00 0.00 60.65 59.10 3hye h LYS 52 Cb 1.11 0.17 0.19 0.00 -0.57 0.00 0.00 32.23 33.13 3hye h LYS 52 CO 0.82 -0.49 -0.86 -2.13 -2.06 0.00 0.00 179.45 174.73 3hye n ARG 53 N -5.48 -2.68 -1.83 3.15 0.63 -1.25 -4.98 116.66 104.22 3hye n ARG 53 Ca -0.09 0.84 -0.35 0.00 -0.92 0.00 0.00 57.85 57.32 3hye n ARG 53 Cb 0.38 -5.72 0.05 0.00 0.45 0.00 0.00 32.46 27.62 3hye n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hye s ALA 54 N -3.40 2.42 -1.81 5.13 0.00 -1.26 -4.94 121.76 117.91 3hye s ALA 54 Ca 0.41 0.92 0.25 0.00 0.00 0.00 0.00 51.96 53.54 3hye s ALA 54 Cb -0.06 -3.44 0.53 0.00 0.00 0.00 0.00 23.12 20.15 3hye s ALA 54 CO 0.75 -1.37 1.42 0.25 0.00 0.00 0.00 175.76 176.82 3hye n THR 55 N -1.98 0.00 -3.56 0.00 -2.24 -1.26 -4.92 114.28 100.31 3hye n THR 55 Ca 0.13 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 3hye n THR 55 Cb 0.50 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.31 3hye n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hye s SER 56 N -2.51 -0.65 0.60 3.42 0.15 -1.26 -5.03 113.70 108.41 3hye s SER 56 Ca 0.22 0.85 0.36 0.00 0.70 0.00 0.00 55.95 58.08 3hye s SER 56 Cb 0.19 0.73 1.91 0.00 -1.71 0.00 0.00 66.02 67.14 3hye s SER 56 CO 0.54 -0.52 2.21 1.55 1.20 0.00 0.00 173.24 178.23 3hye h PRO 57 N 3.51 0.00 0.00 5.44 0.13 -2.04 -1.91 132.00 137.12 3hye h PRO 57 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hye h PRO 57 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hye h PRO 57 CO 0.32 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.40 3hye n LEU 58 N -3.35 0.47 -4.68 1.56 4.77 -1.26 -4.74 117.00 109.76 3hye n LEU 58 Ca -0.02 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 3hye n LEU 58 Cb 0.15 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3hye n LEU 58 CO 0.25 -0.22 0.90 -0.22 -1.33 0.00 0.00 177.39 176.77 3hye s LEU 59 N -3.92 4.22 -0.61 2.23 1.98 -0.72 -4.96 118.68 116.91 3hye s LEU 59 Ca 0.10 1.61 -0.27 0.00 -2.89 0.00 0.00 54.13 52.67 3hye s LEU 59 Cb 0.13 -3.55 -0.01 0.00 0.66 0.00 0.00 46.19 43.42 3hye s LEU 59 CO 0.50 -0.57 1.67 -1.61 -1.89 0.00 0.00 176.35 174.45 3hye s GLU 60 N 2.46 2.90 0.40 1.98 2.02 -1.26 -4.87 118.70 122.33 3hye s GLU 60 Ca 0.50 0.47 0.21 0.00 0.02 0.00 0.00 54.97 56.17 3hye s GLU 60 Cb -0.20 -4.29 1.17 0.00 0.10 0.00 0.00 34.13 30.91 3hye s GLU 60 CO 0.16 -2.43 1.73 0.66 0.02 0.00 0.00 175.26 175.41 3hye h SER 61 N 13.21 0.41 0.38 -0.19 4.64 -1.93 -1.40 113.55 128.67 3hye h SER 61 Ca -0.27 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3hye h SER 61 Cb 1.13 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hye h SER 61 CO 1.21 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 176.29 3hye n ASP 62 N -4.66 0.00 -0.28 4.97 3.85 -1.26 -1.45 116.55 117.72 3hye n ASP 62 Ca 0.28 0.50 0.15 0.00 -0.71 0.00 0.00 54.79 55.01 3hye n ASP 62 Cb 1.00 -0.50 0.69 0.00 -1.35 0.00 0.00 41.12 40.96 3hye n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hye n SER 63 N -1.51 0.89 -4.54 -1.12 3.41 -0.53 -4.68 113.62 105.55 3hye n SER 63 Ca 0.03 -1.27 -0.43 0.00 -0.26 0.00 0.00 58.87 56.94 3hye n SER 63 Cb 0.13 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 3hye n SER 63 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hye s ILE 64 N -2.02 4.66 -0.75 -1.33 1.01 -0.53 -4.98 121.20 117.26 3hye s ILE 64 Ca 0.41 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.42 3hye s ILE 64 Cb 0.21 -4.32 0.19 0.00 0.01 0.00 0.00 42.46 38.55 3hye s ILE 64 CO 0.35 -0.72 0.60 -0.70 0.00 0.00 0.00 174.94 174.47 3hye s GLU 65 N 3.26 2.90 0.00 2.79 2.12 -1.26 -4.83 118.70 123.68 3hye s GLU 65 Ca 0.29 -2.89 0.19 0.00 0.36 0.00 0.00 54.97 52.92 3hye s GLU 65 Cb -0.12 -3.84 0.33 0.00 0.26 0.00 0.00 34.13 30.76 3hye s GLU 65 CO 0.22 -1.22 1.27 1.63 -0.54 0.00 0.00 175.26 176.62 3hye n LYS 66 N 2.93 2.20 -3.86 4.30 5.02 -1.26 -4.80 118.16 122.70 3hye n LYS 66 Ca 0.14 -2.03 -0.27 0.00 -2.02 0.00 0.00 58.31 54.13 3hye n LYS 66 Cb 0.38 -1.41 -0.17 0.00 -0.02 0.00 0.00 35.03 33.81 3hye n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hye s ILE 67 N -1.30 0.96 0.15 -0.18 1.01 -1.26 -1.84 121.20 118.75 3hye s ILE 67 Ca 0.31 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.51 3hye s ILE 67 Cb 0.18 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3hye s ILE 67 CO 0.25 0.12 -0.15 0.68 0.00 0.00 0.00 174.94 175.84 3hye s VAL 68 N 1.70 1.58 0.06 2.92 -7.23 -0.22 -4.97 120.40 114.23 3hye s VAL 68 Ca 0.01 -1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.05 3hye s VAL 68 Cb -0.15 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.97 3hye s VAL 68 CO -0.07 -0.44 0.66 -0.70 -0.31 0.00 0.00 175.10 174.24 3hye s GLU 69 N -2.97 4.37 -0.27 4.82 2.12 -1.26 -0.73 118.70 124.77 3hye s GLU 69 Ca 0.14 0.88 -0.06 0.00 0.36 0.00 0.00 54.97 56.30 3hye s GLU 69 Cb -0.04 -3.31 -0.15 0.00 0.26 0.00 0.00 34.13 30.90 3hye s GLU 69 CO 0.05 0.45 -0.29 -0.89 -0.54 0.00 0.00 175.26 174.04 3hye n ILE 70 N 2.29 1.51 -3.86 -3.70 2.08 -0.01 -4.94 119.36 112.72 3hye n ILE 70 Ca -0.07 -0.48 -0.09 0.00 0.56 0.00 0.00 62.75 62.67 3hye n ILE 70 Cb 0.50 -1.64 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 3hye n ILE 70 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3hye s ASP 71 N -7.00 0.04 0.54 4.38 3.68 -0.84 -4.46 116.67 113.03 3hye s ASP 71 Ca -0.37 -1.05 0.22 0.00 2.13 0.00 0.00 52.55 53.48 3hye s ASP 71 Cb 0.12 0.79 1.44 0.00 -1.45 0.00 0.00 42.92 43.81 3hye s ASP 71 CO 0.55 -1.54 2.12 -0.09 0.13 0.00 0.00 175.17 176.34 3hye h ARG 72 N 2.03 0.00 -0.45 4.34 2.43 -1.97 -2.32 114.38 118.45 3hye h ARG 72 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3hye h ARG 72 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3hye h ARG 72 CO 0.36 0.00 0.00 -2.39 -1.51 0.00 0.00 179.97 176.43 3hye n HIS 73 N -4.28 0.60 -3.77 2.20 1.44 -1.26 -0.54 115.22 109.60 3hye n HIS 73 Ca 0.01 -0.46 -0.14 0.00 -2.01 0.00 0.00 57.72 55.13 3hye n HIS 73 Cb 0.25 -0.02 -0.14 0.00 0.12 0.00 0.00 29.99 30.20 3hye n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hye s ILE 74 N -1.03 -0.04 0.25 0.61 1.01 -0.87 -1.66 121.20 119.47 3hye s ILE 74 Ca 0.31 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.13 3hye s ILE 74 Cb 0.17 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.39 3hye s ILE 74 CO 0.22 0.06 0.07 -0.83 0.00 0.00 0.00 174.94 174.45 3hye s GLY 75 N 0.90 1.66 -0.03 6.18 0.00 0.64 -0.83 107.32 115.84 3hye s GLY 75 Ca -0.07 -1.83 -0.24 0.00 0.00 0.00 0.00 44.72 42.58 3hye s GLY 75 CO -0.04 -1.61 0.53 0.00 0.00 0.00 0.00 173.10 171.98 3hye s ALA 77 N -1.34 2.19 0.28 0.00 0.00 -0.04 -1.06 121.76 121.79 3hye s ALA 77 Ca -0.12 -1.29 0.11 0.00 0.00 0.00 0.00 51.96 50.67 3hye s ALA 77 Cb -0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 3hye s ALA 77 CO 0.07 0.50 -0.18 0.00 0.00 0.00 0.00 175.76 176.15 3hye s MET 78 N -1.48 1.67 -0.23 0.00 0.23 -0.77 0.16 119.30 118.88 3hye s MET 78 Ca 0.11 -1.78 -0.10 0.00 -1.03 0.00 0.00 55.69 52.89 3hye s MET 78 Cb -0.10 -1.71 0.09 0.00 -1.53 0.00 0.00 34.83 31.58 3hye s MET 78 CO 0.03 0.29 0.53 0.45 -2.03 0.00 0.00 175.02 174.29 3hye s SER 79 N -3.51 -0.66 0.00 -1.18 0.15 -0.82 -4.80 113.70 102.88 3hye s SER 79 Ca 0.30 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.16 3hye s SER 79 Cb -0.04 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 3hye s SER 79 CO 0.15 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3hye n GLY 80 N 4.95 0.22 3.56 9.45 0.00 -1.26 -1.43 105.19 120.68 3hye n GLY 80 Ca -0.15 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 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 3.42 0.55 0.99 1.43 0.20 -4.79 118.68 120.49 3hye s LEU 81 Ca 0.00 -1.36 0.24 0.00 -1.03 0.00 0.00 54.13 51.98 3hye s LEU 81 Cb 0.00 -2.57 1.49 0.00 0.03 0.00 0.00 46.19 45.15 3hye s LEU 81 CO 0.00 -1.89 2.11 0.71 0.23 0.00 0.00 176.35 177.51 3hye h THR 82 N 6.76 0.70 -0.22 5.49 1.35 -1.90 -1.56 112.91 123.53 3hye h THR 82 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.03 3hye h THR 82 Cb 0.99 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3hye h THR 82 CO 1.36 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 176.63 3hye h ALA 83 N 1.85 1.58 0.00 6.62 0.00 -1.97 -1.04 119.26 126.30 3hye h ALA 83 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hye h ALA 83 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hye h ALA 83 CO -0.00 0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 3hye n ASP 84 N -4.35 0.41 0.06 0.00 10.43 -0.59 -2.66 116.55 119.85 3hye n ASP 84 Ca 0.00 0.63 0.12 0.00 2.57 0.00 0.00 54.79 58.11 3hye n ASP 84 Cb 0.20 -0.70 0.21 0.00 1.84 0.00 0.00 41.12 42.67 3hye n ASP 84 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hye n ALA 85 N -1.68 2.91 -0.00 2.24 0.00 -0.39 -4.27 120.51 119.32 3hye n ALA 85 Ca 0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 3hye n ALA 85 Cb 0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 3hye n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hye h ARG 86 N 0.00 0.01 0.00 0.00 2.47 -1.62 -0.21 114.38 115.03 3hye h ARG 86 Ca 0.00 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3hye h ARG 86 Cb 0.71 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.03 3hye h ARG 86 CO 0.00 0.00 -0.16 0.66 0.56 0.00 0.00 179.97 181.03 3hye h SER 87 N 0.01 0.00 -0.15 7.04 4.64 -1.81 -0.58 113.55 122.70 3hye h SER 87 Ca 0.05 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 3hye h SER 87 Cb 0.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3hye h SER 87 CO -0.11 0.16 -0.59 0.24 -0.87 0.00 0.00 176.83 175.67 3hye h MET 88 N 0.00 0.66 -0.38 4.77 2.86 -1.54 -1.22 114.93 120.07 3hye h MET 88 Ca -0.00 -0.51 -0.04 0.00 -2.06 0.00 0.00 59.70 57.09 3hye h MET 88 Cb 0.47 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3hye h MET 88 CO 0.02 1.13 0.08 0.82 1.06 0.00 0.00 176.91 180.03 3hye h ILE 89 N 0.34 1.23 -0.35 -1.22 1.08 -0.61 -0.57 117.51 117.42 3hye h ILE 89 Ca -0.03 -0.80 0.02 0.00 -0.39 0.00 0.00 64.86 63.66 3hye h ILE 89 Cb 1.22 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 3hye h ILE 89 CO 0.12 0.28 0.17 -0.08 -0.69 0.00 0.00 178.15 177.95 3hye h GLU 90 N 0.48 0.35 -0.83 2.37 4.57 -1.10 0.21 114.58 120.62 3hye h GLU 90 Ca 0.12 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3hye h GLU 90 Cb 0.33 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3hye h GLU 90 CO 0.00 0.23 0.41 1.25 -1.18 0.00 0.00 179.01 179.72 3hye h HIS 91 N 0.36 1.19 -0.06 0.92 2.76 -1.03 -1.63 115.15 117.66 3hye h HIS 91 Ca 0.14 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3hye h HIS 91 Cb 0.05 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 28.64 3hye h HIS 91 CO -0.10 0.85 0.02 0.00 -1.30 0.00 0.00 177.93 177.40 3hye h ALA 92 N 1.26 0.08 -0.58 5.26 0.00 -0.19 -0.12 119.26 124.97 3hye h ALA 92 Ca 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hye h ALA 92 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hye h ALA 92 CO -0.04 -0.31 0.31 0.00 0.00 0.00 0.00 179.25 179.21 3hye h ARG 93 N -0.10 0.80 -0.17 0.00 3.08 -0.45 -0.93 114.38 116.61 3hye h ARG 93 Ca 0.02 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 59.79 3hye h ARG 93 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hye h ARG 93 CO -0.00 0.59 -0.68 1.15 -1.07 0.00 0.00 179.97 179.96 3hye h THR 94 N 0.81 1.31 -0.37 2.04 2.02 -1.12 -1.58 112.91 116.01 3hye h THR 94 Ca 0.21 -1.93 -0.04 0.00 0.77 0.00 0.00 66.41 65.41 3hye h THR 94 Cb 0.03 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3hye h THR 94 CO -0.03 0.61 0.07 0.00 0.37 0.00 0.00 175.52 176.54 3hye h ALA 95 N 0.75 0.49 -0.16 6.16 0.00 -0.48 0.22 119.26 126.24 3hye h ALA 95 Ca -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hye h ALA 95 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hye h ALA 95 CO 0.13 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.59 3hye h ALA 96 N 0.92 0.21 -0.42 0.00 0.00 -1.16 0.25 119.26 119.06 3hye h ALA 96 Ca 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3hye h ALA 96 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hye h ALA 96 CO 0.00 -0.12 0.04 0.28 0.00 0.00 0.00 179.25 179.46 3hye h VAL 97 N 0.04 1.25 -0.74 0.00 2.07 -1.24 -2.28 116.25 115.36 3hye h VAL 97 Ca 0.05 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3hye h VAL 97 Cb 0.31 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3hye h VAL 97 CO 0.00 0.32 0.48 0.74 0.02 0.00 0.00 177.57 179.14 3hye h THR 98 N 0.55 1.17 -0.62 2.57 2.02 -0.47 -1.07 112.91 117.07 3hye h THR 98 Ca 0.12 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.98 3hye h THR 98 Cb 0.41 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3hye h THR 98 CO 0.01 0.18 0.40 -0.74 0.37 0.00 0.00 175.52 175.74 3hye h HIS 99 N 0.98 0.75 -0.72 3.16 6.17 -0.74 -1.20 115.15 123.55 3hye h HIS 99 Ca 0.28 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.34 3hye h HIS 99 Cb -0.09 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 29.56 3hye h HIS 99 CO -0.02 0.46 0.31 -0.97 0.71 0.00 0.00 177.93 178.41 3hye h ASN 100 N 0.80 0.98 -0.68 3.26 -0.73 -0.81 0.12 115.58 118.53 3hye h ASN 100 Ca 0.24 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.23 3hye h ASN 100 Cb -0.05 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.26 3hye h ASN 100 CO -0.07 0.87 0.34 0.25 -0.37 0.00 0.00 177.43 178.45 3hye h LEU 101 N 1.02 0.87 -0.39 0.34 5.85 -0.59 0.42 115.31 122.83 3hye h LEU 101 Ca 0.24 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.67 3hye h LEU 101 Cb 0.18 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3hye h LEU 101 CO -0.02 0.74 -0.81 1.88 -0.34 0.00 0.00 178.44 179.89 3hye h TYR 102 N 0.93 0.12 0.00 1.25 0.05 -0.89 -3.38 116.97 115.05 3hye h TYR 102 Ca 0.23 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.95 3hye h TYR 102 Cb 0.09 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3hye h TYR 102 CO 0.00 0.85 0.00 0.66 -1.05 0.00 0.00 178.16 178.62 3hye n TYR 103 N -3.64 0.00 -3.79 4.88 4.02 0.39 -5.02 117.16 113.99 3hye n TYR 103 Ca -0.02 -0.12 -0.26 0.00 -0.01 0.00 0.00 57.90 57.49 3hye n TYR 103 Cb 0.77 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 40.11 3hye n TYR 103 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3hye n ASP 104 N -0.12 -3.21 -3.12 7.72 4.64 0.15 -4.95 116.55 117.66 3hye n ASP 104 Ca 0.00 -0.78 -0.08 0.00 -1.38 0.00 0.00 54.79 52.55 3hye n ASP 104 Cb 0.09 -4.06 0.02 0.00 -1.04 0.00 0.00 41.12 36.13 3hye n ASP 104 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3hye s GLU 105 N -6.29 2.06 0.21 -0.67 -1.05 -1.25 -5.08 118.70 106.63 3hye s GLU 105 Ca 0.35 -1.30 -0.17 0.00 -0.15 0.00 0.00 54.97 53.70 3hye s GLU 105 Cb -0.17 0.59 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 3hye s GLU 105 CO 0.81 -0.96 0.66 -0.51 0.95 0.00 0.00 175.26 176.21 3hye s ASP 106 N -3.08 6.94 0.10 0.83 -0.00 -1.26 -3.77 116.67 116.43 3hye s ASP 106 Ca 0.15 1.28 -0.29 0.00 -0.00 0.00 0.00 52.55 53.69 3hye s ASP 106 Cb -0.05 -2.37 -0.06 0.00 -0.00 0.00 0.00 42.92 40.45 3hye s ASP 106 CO 0.10 0.03 0.94 -0.51 -0.00 0.00 0.00 175.17 175.73 3hye s ILE 107 N -1.55 4.54 0.39 0.77 2.07 -1.26 -4.99 121.20 121.17 3hye s ILE 107 Ca 0.42 2.02 -0.27 0.00 -1.41 0.00 0.00 60.65 61.41 3hye s ILE 107 Cb -0.15 -4.30 -0.10 0.00 0.13 0.00 0.00 42.46 38.03 3hye s ILE 107 CO 0.20 0.32 1.45 0.20 -1.91 0.00 0.00 174.94 175.20 3hye s ASN 108 N 0.02 6.29 0.26 4.50 0.02 -1.26 -4.83 114.94 119.95 3hye s ASN 108 Ca 0.46 2.98 -0.01 0.00 -1.02 0.00 0.00 52.86 55.27 3hye s ASN 108 Cb -0.23 -2.66 0.54 0.00 0.02 0.00 0.00 41.25 38.92 3hye s ASN 108 CO 0.29 -0.90 1.76 0.58 0.02 0.00 0.00 177.10 178.84 3hye h VAL 109 N 2.82 0.71 -0.53 1.60 2.07 -1.94 -0.47 116.25 120.52 3hye h VAL 109 Ca -0.51 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 3hye h VAL 109 Cb 1.24 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3hye h VAL 109 CO 0.64 0.11 0.06 -0.08 0.02 0.00 0.00 177.57 178.31 3hye h GLU 110 N 0.60 0.89 -0.27 1.57 4.22 -1.99 -1.60 114.58 118.01 3hye h GLU 110 Ca 0.46 -0.25 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 3hye h GLU 110 Cb 0.67 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3hye h GLU 110 CO -0.37 0.89 0.17 0.77 -2.18 0.00 0.00 179.01 178.28 3hye h SER 111 N 0.77 0.32 -0.67 1.04 0.02 -1.57 0.32 113.55 113.78 3hye h SER 111 Ca 0.16 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3hye h SER 111 Cb 0.44 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 3hye h SER 111 CO 0.02 0.26 0.39 0.25 -1.14 0.00 0.00 176.83 176.61 3hye h LEU 112 N 0.34 0.62 -0.21 5.07 7.12 -1.01 -1.60 115.31 125.63 3hye h LEU 112 Ca 0.10 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 3hye h LEU 112 Cb -0.00 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.01 3hye h LEU 112 CO -0.02 0.41 0.08 0.74 -0.13 0.00 0.00 178.44 179.52 3hye h THR 113 N 0.75 1.17 -0.63 1.05 2.02 -0.81 -2.49 112.91 113.98 3hye h THR 113 Ca 0.29 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3hye h THR 113 Cb 0.11 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3hye h THR 113 CO -0.15 0.17 0.42 -0.61 0.37 0.00 0.00 175.52 175.72 3hye h GLN 114 N 0.18 0.64 -0.28 6.66 5.75 -0.62 -0.40 115.11 127.05 3hye h GLN 114 Ca 0.07 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3hye h GLN 114 Cb 0.19 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3hye h GLN 114 CO -0.00 0.43 0.07 1.03 -2.65 0.00 0.00 178.83 177.70 3hye h SER 115 N 0.66 0.42 -0.61 -0.69 0.87 -1.02 -1.74 113.55 111.44 3hye h SER 115 Ca 0.27 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 3hye h SER 115 Cb 0.21 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 3hye h SER 115 CO -0.08 0.53 0.23 0.58 -0.53 0.00 0.00 176.83 177.57 3hye h VAL 116 N 0.28 1.23 0.00 2.23 2.07 -0.93 -2.17 116.25 118.97 3hye h VAL 116 Ca 0.09 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3hye h VAL 116 Cb 0.28 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hye h VAL 116 CO 0.00 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.88 3hye h ASP 118 N 0.00 0.00 0.20 0.00 3.45 -0.63 -2.77 116.42 116.67 3hye h ASP 118 Ca 0.00 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.23 3hye h ASP 118 Cb 0.34 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3hye h ASP 118 CO 0.00 0.22 -0.94 -0.07 -1.57 0.00 0.00 179.24 176.88 3hye h LEU 119 N 0.00 0.66 -0.22 1.55 3.38 -1.48 -3.39 115.31 115.81 3hye h LEU 119 Ca -0.00 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.47 3hye h LEU 119 Cb 0.70 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hye h LEU 119 CO 0.03 1.31 -0.13 0.00 0.09 0.00 0.00 178.44 179.73 3hye n ALA 120 N -2.57 -0.14 1.54 1.53 0.00 -1.05 -0.64 120.51 119.18 3hye n ALA 120 Ca -0.08 0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.58 3hye n ALA 120 Cb 0.83 0.13 0.09 0.00 0.00 0.00 0.00 19.45 20.50 3hye n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hye n LEU 121 N -3.42 0.78 -2.96 0.00 4.77 -1.26 -4.51 117.00 110.39 3hye n LEU 121 Ca 0.00 -0.39 -0.31 0.00 -0.03 0.00 0.00 56.01 55.29 3hye n LEU 121 Cb 0.06 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 3hye n LEU 121 CO -0.04 0.19 2.88 0.54 -1.33 0.00 0.00 177.39 179.64 3hye n ARG 122 N -0.08 3.16 -4.25 3.23 1.74 0.19 -4.85 116.66 115.79 3hye n ARG 122 Ca 0.06 -1.84 -0.14 0.00 -0.77 0.00 0.00 57.85 55.16 3hye n ARG 122 Cb 0.13 -2.57 -0.10 0.00 -1.02 0.00 0.00 32.46 28.90 3hye n ARG 122 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3hye s PHE 123 N 1.94 1.25 0.00 -1.55 -0.71 -1.26 -3.92 117.98 113.72 3hye s PHE 123 Ca 0.67 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 55.64 3hye s PHE 123 Cb 0.21 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 41.33 3hye s PHE 123 CO -0.04 -0.09 0.00 0.41 -1.34 0.00 0.00 175.22 174.15 3hye n GLY 12 N -0.24 1.07 0.99 1.99 0.00 0.04 -4.83 105.19 104.22 3hye n GLY 12 Ca -0.08 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.19 3hye n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hye n GLU 12 N -1.86 3.18 0.00 1.61 1.02 -1.26 -4.41 120.64 118.91 3hye n GLU 12 Ca 0.00 -2.71 0.00 0.00 -0.02 0.00 0.00 57.16 54.43 3hye n GLU 12 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3hye n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hye n GLY 12 N -0.05 0.12 3.67 0.62 0.00 -1.26 -5.12 105.19 103.16 3hye n GLY 12 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3hye n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 12 N -0.10 3.63 -0.96 4.61 0.00 -1.26 -4.92 121.76 122.74 3hye s ALA 12 Ca 0.00 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 3hye s ALA 12 Cb 0.00 -3.69 -0.10 0.00 0.00 0.00 0.00 23.12 19.34 3hye s ALA 12 CO 0.00 -1.25 2.06 -1.12 0.00 0.00 0.00 175.76 175.45 3hye s SER 12 N 2.72 4.66 0.00 0.00 0.01 -1.26 -3.80 113.70 116.02 3hye s SER 12 Ca 0.67 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.14 3hye s SER 12 Cb -0.30 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.36 3hye s SER 12 CO 0.25 -3.29 0.00 0.61 0.41 0.00 0.00 173.24 171.22 3hye n GLY 12 N 6.53 0.00 0.00 3.44 0.00 -1.26 -5.14 105.19 108.76 3hye n GLY 12 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3hye n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hye n GLU 12 N -0.04 0.00 -3.21 1.61 2.13 -1.25 -5.05 120.64 114.83 3hye n GLU 12 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 3hye n GLU 12 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 3hye n GLU 12 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3hye n GLU 125 N 0.00 1.48 -2.32 5.31 2.13 -1.26 -4.92 120.64 121.06 3hye n GLU 125 Ca 0.00 -3.78 -0.35 0.00 0.66 0.00 0.00 57.16 53.69 3hye n GLU 125 Cb 0.00 -1.68 -0.03 0.00 0.27 0.00 0.00 31.44 29.99 3hye n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3hye s ARG 126 N -2.04 3.21 -0.69 5.31 3.03 -1.26 -4.91 118.95 121.61 3hye s ARG 126 Ca 0.39 -1.41 -0.19 0.00 2.03 0.00 0.00 55.73 56.55 3hye s ARG 126 Cb 0.22 -5.36 0.12 0.00 -1.03 0.00 0.00 34.95 28.90 3hye s ARG 126 CO -0.08 -3.05 0.82 -1.17 -1.13 0.00 0.00 175.30 170.69 3hye s LEU 127 N 7.59 5.33 -0.30 -1.89 2.96 -1.26 -3.85 118.68 127.26 3hye s LEU 127 Ca 0.60 -1.61 -0.16 0.00 -0.22 0.00 0.00 54.13 52.74 3hye s LEU 127 Cb 0.01 -2.33 0.17 0.00 0.50 0.00 0.00 46.19 44.54 3hye s LEU 127 CO 0.07 -1.10 1.06 -0.32 -1.32 0.00 0.00 176.35 174.75 3hye s MET 128 N 2.62 0.23 0.48 1.98 1.75 -1.25 -4.97 119.30 120.14 3hye s MET 128 Ca 0.17 0.57 0.25 0.00 -1.25 0.00 0.00 55.69 55.44 3hye s MET 128 Cb -0.18 0.32 1.18 0.00 2.84 0.00 0.00 34.83 38.99 3hye s MET 128 CO 0.02 -0.08 1.95 0.66 -0.65 0.00 0.00 175.02 176.93 3hye h SER 129 N 7.25 0.00 -5.20 1.11 4.64 -1.89 0.16 113.55 119.61 3hye h SER 129 Ca -0.16 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3hye h SER 129 Cb 1.12 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.11 3hye h SER 129 CO 0.09 0.18 -0.14 0.00 -0.87 0.00 0.00 176.83 176.09 3hye s ARG 130 N -3.94 1.36 0.94 4.77 1.70 -1.26 -4.40 118.95 118.12 3hye s ARG 130 Ca -0.01 -1.10 -0.12 0.00 -0.47 0.00 0.00 55.73 54.03 3hye s ARG 130 Cb 0.12 0.46 0.16 0.00 -0.57 0.00 0.00 34.95 35.11 3hye s ARG 130 CO 0.61 -0.55 1.10 -2.14 -1.08 0.00 0.00 175.30 173.24 3hye s PRO 131 N -3.95 0.89 0.43 3.89 0.02 -1.26 -4.83 135.00 130.18 3hye s PRO 131 Ca 0.16 0.60 -0.23 0.00 0.02 0.00 0.00 61.00 61.55 3hye s PRO 131 Cb 0.01 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.66 3hye s PRO 131 CO 0.02 -2.44 1.08 -0.06 -0.33 0.00 0.00 177.00 175.27 3hye s PHE 132 N -3.00 3.12 -0.57 6.54 0.40 -1.26 -4.95 117.98 118.25 3hye s PHE 132 Ca 0.64 1.60 0.01 0.00 -0.60 0.00 0.00 56.93 58.58 3hye s PHE 132 Cb -0.18 -3.19 0.44 0.00 0.51 0.00 0.00 43.02 40.60 3hye s PHE 132 CO 0.57 -0.90 1.75 0.41 0.70 0.00 0.00 175.22 177.75 3hye n GLY 133 N 0.29 5.99 3.33 4.36 0.00 -1.26 -4.69 105.19 113.20 3hye n GLY 133 Ca 0.06 -2.45 -0.13 0.00 0.00 0.00 0.00 46.02 43.49 3hye n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hye s VAL 134 N -4.84 0.00 0.20 1.61 0.11 -1.26 0.58 120.40 116.81 3hye s VAL 134 Ca 0.59 -0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.66 3hye s VAL 134 Cb 0.47 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 3hye s VAL 134 CO -0.06 -0.02 0.16 0.00 -3.33 0.00 0.00 175.10 171.86 3hye s ALA 135 N 0.08 3.58 0.08 1.54 0.00 -0.52 -4.45 121.76 122.06 3hye s ALA 135 Ca -0.01 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.69 3hye s ALA 135 Cb -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 3hye s ALA 135 CO 0.01 0.39 -0.14 -0.51 0.00 0.00 0.00 175.76 175.51 3hye s LEU 136 N -3.44 2.30 -0.29 0.00 1.43 -0.51 -1.94 118.68 116.22 3hye s LEU 136 Ca 0.32 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3hye s LEU 136 Cb -0.09 -0.49 0.04 0.00 0.03 0.00 0.00 46.19 45.68 3hye s LEU 136 CO 0.24 -0.10 0.00 -0.76 0.23 0.00 0.00 176.35 175.97 3hye s LEU 137 N -1.84 3.81 -0.25 1.79 1.43 0.12 -0.96 118.68 122.78 3hye s LEU 137 Ca -0.01 -1.16 -0.09 0.00 -1.03 0.00 0.00 54.13 51.83 3hye s LEU 137 Cb -0.09 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3hye s LEU 137 CO 0.02 -0.24 0.13 -0.63 0.23 0.00 0.00 176.35 175.86 3hye s ILE 138 N 1.29 4.97 0.00 -0.59 1.09 0.40 -0.86 121.20 127.50 3hye s ILE 138 Ca -0.04 0.05 0.05 0.00 -1.10 0.00 0.00 60.65 59.62 3hye s ILE 138 Cb -0.19 -3.33 -0.02 0.00 -1.06 0.00 0.00 42.46 37.86 3hye s ILE 138 CO -0.01 0.32 -0.17 0.00 -0.10 0.00 0.00 174.94 174.98 3hye s ALA 139 N 1.38 1.43 0.00 9.38 0.00 -0.13 0.34 121.76 134.16 3hye s ALA 139 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3hye s ALA 139 Cb -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3hye s ALA 139 CO 0.06 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.57 3hye n GLY 140 N 2.43 1.01 3.00 0.00 0.00 -0.32 -0.26 105.19 111.05 3hye n GLY 140 Ca -0.15 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 3hye n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hye s HIS 141 N -4.69 0.12 0.03 1.61 2.46 -0.67 -0.21 115.29 113.95 3hye s HIS 141 Ca 0.00 -0.25 -0.21 0.00 0.47 0.00 0.00 55.06 55.07 3hye s HIS 141 Cb 0.00 -0.10 0.04 0.00 -0.13 0.00 0.00 32.58 32.39 3hye s HIS 141 CO 0.00 -0.17 0.47 0.16 -2.47 0.00 0.00 174.74 172.73 3hye s ASP 142 N -1.05 -0.37 0.52 9.88 3.84 -1.06 -4.80 116.67 123.64 3hye s ASP 142 Ca -0.12 0.13 0.23 0.00 -0.00 0.00 0.00 52.55 52.80 3hye s ASP 142 Cb -0.07 0.45 1.36 0.00 -1.38 0.00 0.00 42.92 43.28 3hye s ASP 142 CO -0.00 -0.67 2.01 0.00 -0.00 0.00 0.00 175.17 176.51 3hye h ALA 143 N 2.98 2.42 0.15 2.11 0.00 -1.99 0.20 119.26 125.12 3hye h ALA 143 Ca -0.31 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 3hye h ALA 143 Cb 1.20 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3hye h ALA 143 CO 0.42 -0.55 -1.44 -0.44 0.00 0.00 0.00 179.25 177.23 3hye h ASP 144 N 0.03 0.50 0.00 0.00 5.19 -2.03 -3.39 116.42 116.72 3hye h ASP 144 Ca 0.23 -0.60 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3hye h ASP 144 Cb 0.88 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.23 3hye h ASP 144 CO -0.01 1.49 -0.13 0.47 -3.12 0.00 0.00 179.24 177.94 3hye n ASP 14 N -3.53 1.46 0.00 6.45 9.92 -1.17 -5.12 116.55 124.56 3hye n ASP 14 Ca -0.14 -2.42 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 3hye n ASP 14 Cb 1.05 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 3hye n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hye n GLY 145 N -0.77 1.66 3.74 0.44 0.00 0.68 -4.63 105.19 106.31 3hye n GLY 145 Ca 0.08 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 3.32 0.01 1.61 2.02 -1.26 -2.55 117.35 120.50 3hye s TYR 146 Ca 0.00 1.33 -0.05 0.00 -0.37 0.00 0.00 57.07 57.98 3hye s TYR 146 Cb 0.00 -3.53 -0.01 0.00 -0.40 0.00 0.00 41.96 38.03 3hye s TYR 146 CO 0.00 -1.56 0.08 -0.65 -1.57 0.00 0.00 175.55 171.85 3hye s GLN 147 N -0.29 0.45 -0.05 -0.62 -0.21 0.71 -4.97 119.66 114.67 3hye s GLN 147 Ca 0.54 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.42 3hye s GLN 147 Cb -0.35 0.18 0.02 0.00 1.00 0.00 0.00 33.01 33.86 3hye s GLN 147 CO 0.38 -0.10 -0.06 -1.17 -2.12 0.00 0.00 175.29 172.23 3hye s LEU 148 N -1.51 1.35 0.07 2.90 2.96 -1.26 -1.17 118.68 122.02 3hye s LEU 148 Ca -0.14 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3hye s LEU 148 Cb -0.07 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 3hye s LEU 148 CO 0.00 -0.05 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.45 3hye s PHE 149 N 0.92 1.50 -0.31 5.38 0.08 0.15 -1.56 117.98 124.14 3hye s PHE 149 Ca -0.11 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 3hye s PHE 149 Cb -0.14 -0.85 0.06 0.00 -0.57 0.00 0.00 43.02 41.51 3hye s PHE 149 CO 0.00 0.11 0.03 -1.58 -0.10 0.00 0.00 175.22 173.68 3hye s HIS 150 N -1.09 3.31 -0.26 0.36 5.65 0.34 -0.45 115.29 123.15 3hye s HIS 150 Ca 0.03 -1.94 -0.10 0.00 0.25 0.00 0.00 55.06 53.29 3hye s HIS 150 Cb -0.09 -2.26 -0.05 0.00 -1.18 0.00 0.00 32.58 29.00 3hye s HIS 150 CO 0.03 -0.82 0.17 0.00 -0.65 0.00 0.00 174.74 173.46 3hye s ALA 151 N 1.24 3.52 0.29 1.58 0.00 -0.13 -1.99 121.76 126.26 3hye s ALA 151 Ca -0.03 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 50.98 3hye s ALA 151 Cb -0.20 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3hye s ALA 151 CO -0.01 -0.43 0.17 -1.21 0.00 0.00 0.00 175.76 174.28 3hye s GLU 152 N 1.52 2.64 0.00 0.00 2.02 -1.00 -1.42 118.70 122.46 3hye s GLU 152 Ca 0.07 -1.29 0.08 0.00 0.02 0.00 0.00 54.97 53.85 3hye s GLU 152 Cb -0.15 -2.39 0.40 0.00 0.10 0.00 0.00 34.13 32.09 3hye s GLU 152 CO 0.08 0.25 1.05 -2.30 0.02 0.00 0.00 175.26 174.37 3hye n PRO 153 N -1.17 0.15 0.16 0.39 -0.02 -1.26 -1.38 135.00 131.86 3hye n PRO 153 Ca -0.05 0.15 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 3hye n PRO 153 Cb 0.59 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.64 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 -1.91 -3.40 113.55 115.43 3hye h SER 154 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hye h SER 154 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hye h SER 154 CO 0.00 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3hye n GLY 155 N 1.19 2.15 3.86 -0.77 0.00 -0.48 -4.63 105.19 106.51 3hye n GLY 155 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3hye n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hye s THR 156 N -2.46 4.79 -0.00 2.61 -4.23 -1.26 -4.78 115.64 110.31 3hye s THR 156 Ca 0.00 0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 3hye s THR 156 Cb 0.00 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.21 3hye s THR 156 CO 0.00 -0.21 0.01 0.72 -0.54 0.00 0.00 174.62 174.60 3hye s PHE 157 N -2.00 -0.00 0.10 3.99 -0.12 -1.26 -2.38 117.98 116.31 3hye s PHE 157 Ca 0.51 0.03 0.10 0.00 -0.05 0.00 0.00 56.93 57.51 3hye s PHE 157 Cb -0.11 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3hye s PHE 157 CO 0.21 -0.01 -0.24 0.71 -0.05 0.00 0.00 175.22 175.84 3hye s TYR 158 N 0.12 2.39 -0.10 3.49 2.02 -0.84 -4.91 117.35 119.51 3hye s TYR 158 Ca -0.01 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 3hye s TYR 158 Cb -0.01 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.17 3hye s TYR 158 CO -0.00 0.30 0.32 0.50 -1.57 0.00 0.00 175.55 175.09 3hye s ARG 159 N -1.84 4.02 0.15 -0.62 3.52 -1.26 -0.50 118.95 122.42 3hye s ARG 159 Ca 0.14 0.18 0.06 0.00 -0.13 0.00 0.00 55.73 55.99 3hye s ARG 159 Cb -0.10 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 3hye s ARG 159 CO 0.06 0.46 -0.14 0.71 -0.81 0.00 0.00 175.30 175.58 3hye s TYR 160 N -0.25 1.47 0.04 5.12 1.51 -0.60 -4.99 117.35 119.65 3hye s TYR 160 Ca 0.19 -0.59 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 3hye s TYR 160 Cb -0.14 -0.74 -0.22 0.00 -0.11 0.00 0.00 41.96 40.74 3hye s TYR 160 CO 0.07 0.19 0.97 -0.91 -1.11 0.00 0.00 175.55 174.76 3hye h ASN 161 N 3.18 0.01 -4.88 2.29 -0.26 -1.92 -3.37 115.58 110.63 3hye h ASN 161 Ca -0.39 -0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.25 3hye h ASN 161 Cb 1.20 -0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 38.26 3hye h ASN 161 CO 0.55 1.02 0.05 0.00 -1.06 0.00 0.00 177.43 177.99 3hye s ALA 162 N -2.65 -1.49 -0.23 -0.83 0.00 -1.26 -0.44 121.76 114.86 3hye s ALA 162 Ca -0.02 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 3hye s ALA 162 Cb 0.09 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.20 3hye s ALA 162 CO 0.82 -0.33 0.79 0.21 0.00 0.00 0.00 175.76 177.25 3hye s LYS 163 N -1.06 0.80 -0.03 0.00 2.47 -0.02 -4.99 119.74 116.91 3hye s LYS 163 Ca -0.10 0.74 0.05 0.00 -1.56 0.00 0.00 55.97 55.10 3hye s LYS 163 Cb -0.02 0.39 -0.01 0.00 -1.46 0.00 0.00 37.83 36.73 3hye s LYS 163 CO 0.08 -0.14 -0.18 0.00 0.16 0.00 0.00 175.35 175.27 3hye s ALA 164 N -0.01 1.56 0.07 3.13 0.00 -1.26 -0.72 121.76 124.54 3hye s ALA 164 Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3hye s ALA 164 Cb -0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3hye s ALA 164 CO 0.01 0.33 -0.09 0.96 0.00 0.00 0.00 175.76 176.98 3hye s ILE 165 N -0.19 0.74 0.00 0.00 -4.36 -0.25 -4.76 121.20 112.38 3hye s ILE 165 Ca 0.01 -1.44 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3hye s ILE 165 Cb -0.10 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.52 3hye s ILE 165 CO 0.01 -0.52 0.00 0.61 0.24 0.00 0.00 174.94 175.28 3hye n GLY 166 N 0.87 -1.10 0.28 6.27 0.00 -1.26 -0.69 105.19 109.56 3hye n GLY 166 Ca -0.18 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 43.67 3hye n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hye h SER 167 N 0.00 -0.19 -0.83 1.61 4.64 -0.21 -2.01 113.55 116.57 3hye h SER 167 Ca 0.00 0.18 -0.46 0.00 -0.47 0.00 0.00 61.79 61.04 3hye h SER 167 Cb 0.00 0.29 -0.25 0.00 -0.31 0.00 0.00 62.40 62.12 3hye h SER 167 CO 0.00 -0.13 0.59 0.61 -0.87 0.00 0.00 176.83 177.03 3hye n GLY 168 N -1.39 4.38 0.17 -0.77 0.00 -1.26 -4.65 105.19 101.66 3hye n GLY 168 Ca 0.15 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3hye n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hye h SER 169 N 1.08 0.60 -0.72 1.61 4.64 -1.63 -0.41 113.55 118.72 3hye h SER 169 Ca 0.52 -0.55 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hye h SER 169 Cb 2.13 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 64.01 3hye h SER 169 CO 1.02 1.04 0.47 1.05 -0.87 0.00 0.00 176.83 179.54 3hye h GLU 170 N 0.19 0.93 0.60 4.77 9.09 -1.84 0.26 114.58 128.57 3hye h GLU 170 Ca 0.01 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.33 3hye h GLU 170 Cb 0.93 -0.21 0.01 0.00 -1.65 0.00 0.00 28.75 27.83 3hye h GLU 170 CO 0.08 0.61 -0.29 0.78 0.05 0.00 0.00 179.01 180.24 3hye h GLY 171 N 0.96 -0.84 0.70 1.06 0.00 -1.91 -2.68 103.07 100.36 3hye h GLY 171 Ca 0.27 0.31 0.12 0.00 0.00 0.00 0.00 47.33 48.03 3hye h GLY 171 CO -0.07 -0.30 0.54 0.00 0.00 0.00 0.00 176.54 176.70 3hye h ALA 172 N -1.04 1.84 -0.55 3.60 0.00 -0.97 -1.47 119.26 120.67 3hye h ALA 172 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3hye h ALA 172 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hye h ALA 172 CO 0.13 -0.04 -0.01 0.37 0.00 0.00 0.00 179.25 179.70 3hye h GLN 173 N 0.66 0.98 -0.74 0.00 5.75 -0.50 0.29 115.11 121.55 3hye h GLN 173 Ca 0.40 -0.32 0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3hye h GLN 173 Cb 0.61 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 3hye h GLN 173 CO -0.16 0.99 0.47 0.00 -2.65 0.00 0.00 178.83 177.48 3hye h ALA 174 N 0.95 0.97 0.27 3.38 0.00 -0.93 0.59 119.26 124.49 3hye h ALA 174 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hye h ALA 174 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hye h ALA 174 CO 0.03 0.27 -0.13 1.49 0.00 0.00 0.00 179.25 180.91 3hye h GLU 175 N 0.92 -0.35 -0.73 0.00 4.57 -0.91 -2.59 114.58 115.49 3hye h GLU 175 Ca 0.30 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.63 3hye h GLU 175 Cb 0.01 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3hye h GLU 175 CO -0.11 -0.18 0.48 -0.07 -1.18 0.00 0.00 179.01 177.95 3hye h LEU 176 N -0.43 0.43 -0.53 1.64 3.38 -0.45 -0.30 115.31 119.06 3hye h LEU 176 Ca -0.04 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hye h LEU 176 Cb 0.32 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3hye h LEU 176 CO 0.06 0.24 0.28 0.25 0.09 0.00 0.00 178.44 179.36 3hye h LEU 177 N 0.47 0.42 0.00 1.67 7.12 -0.49 -1.46 115.31 123.04 3hye h LEU 177 Ca 0.35 0.02 -0.13 0.00 0.13 0.00 0.00 57.88 58.25 3hye h LEU 177 Cb 0.71 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.76 3hye h LEU 177 CO -0.11 0.29 -0.88 0.78 -0.13 0.00 0.00 178.44 178.38 3hye h ASN 178 N 0.54 0.00 1.06 1.25 2.35 -1.12 -3.36 115.58 116.30 3hye h ASN 178 Ca 0.23 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 3hye h ASN 178 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3hye h ASN 178 CO -0.15 0.55 -0.98 -0.33 -1.65 0.00 0.00 177.43 174.87 3hye h GLU 179 N 0.00 0.00 -6.36 0.81 4.39 -0.92 -3.47 114.58 109.03 3hye h GLU 179 Ca -0.06 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.09 3hye h GLU 179 Cb 1.47 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.09 3hye h GLU 179 CO 0.06 0.14 0.13 -0.46 -1.16 0.00 0.00 179.01 177.72 3hye s TRP 180 N -3.17 3.81 0.00 4.33 -0.00 -0.57 -5.06 118.94 118.28 3hye s TRP 180 Ca -0.00 1.49 0.00 0.00 -0.00 0.00 0.00 56.10 57.59 3hye s TRP 180 Cb 0.09 -2.75 0.00 0.00 -0.00 0.00 0.00 33.47 30.81 3hye s TRP 180 CO 0.78 0.41 0.00 -2.39 -0.00 0.00 0.00 176.95 175.75 3hye n HIS 18 N 2.21 0.00 -0.04 5.86 1.44 -1.26 -4.99 115.22 118.44 3hye n HIS 18 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 3hye n HIS 18 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 3hye n HIS 18 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3hye n SER 18 N 0.00 0.00 -4.76 4.39 3.41 -1.26 -4.97 113.62 110.44 3hye n SER 18 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3hye n SER 18 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3hye n SER 18 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hye s LEU 184 N 0.00 3.99 0.34 1.04 1.43 -1.26 -5.01 118.68 119.21 3hye s LEU 184 Ca 0.00 2.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.98 3hye s LEU 184 Cb 0.00 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 3hye s LEU 184 CO 0.00 -1.37 0.51 0.42 0.23 0.00 0.00 176.35 176.14 3hye s THR 185 N -1.25 4.77 0.28 5.49 -4.23 -1.26 -4.43 115.64 115.01 3hye s THR 185 Ca 0.66 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 60.47 3hye s THR 185 Cb -0.42 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 69.98 3hye s THR 185 CO 0.52 -0.39 1.85 0.25 -0.54 0.00 0.00 174.62 176.31 3hye h LEU 186 N 0.82 0.95 -0.73 4.79 5.85 -1.93 -0.43 115.31 124.63 3hye h LEU 186 Ca -0.49 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 3hye h LEU 186 Cb 1.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3hye h LEU 186 CO 0.59 0.54 0.03 0.11 -0.34 0.00 0.00 178.44 179.37 3hye h LYS 187 N 1.04 1.00 -0.53 1.25 1.57 -1.98 -1.14 116.57 117.79 3hye h LYS 187 Ca 0.47 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3hye h LYS 187 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3hye h LYS 187 CO -0.24 0.96 0.18 0.93 -0.57 0.00 0.00 179.45 180.71 3hye h GLU 188 N 0.93 0.81 -0.30 3.15 5.08 -1.65 -1.97 114.58 120.61 3hye h GLU 188 Ca 0.17 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3hye h GLU 188 Cb 0.49 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3hye h GLU 188 CO 0.02 0.74 0.19 0.00 -1.00 0.00 0.00 179.01 178.96 3hye h ALA 189 N 1.04 0.38 0.23 3.43 0.00 -0.81 0.39 119.26 123.92 3hye h ALA 189 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 189 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hye h ALA 189 CO -0.01 -0.17 -0.34 0.93 0.00 0.00 0.00 179.25 179.67 3hye h GLU 190 N 0.39 -0.61 -0.95 0.00 5.08 -0.96 0.17 114.58 117.70 3hye h GLU 190 Ca 0.11 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3hye h GLU 190 Cb -0.03 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3hye h GLU 190 CO -0.04 -0.41 0.60 -0.07 -1.00 0.00 0.00 179.01 178.10 3hye h LEU 191 N -0.63 0.96 -0.43 1.33 4.07 -1.24 -0.44 115.31 118.93 3hye h LEU 191 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3hye h LEU 191 Cb 0.62 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 3hye h LEU 191 CO -0.13 0.62 0.21 0.25 -1.08 0.00 0.00 178.44 178.31 3hye h LEU 192 N 1.10 0.56 -0.48 1.67 5.85 -0.30 0.12 115.31 123.83 3hye h LEU 192 Ca 0.41 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 3hye h LEU 192 Cb 0.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3hye h LEU 192 CO -0.17 0.52 0.09 0.58 -0.34 0.00 0.00 178.44 179.13 3hye h VAL 193 N 0.56 1.24 -0.90 1.05 2.07 -0.11 -1.93 116.25 118.24 3hye h VAL 193 Ca 0.15 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.80 3hye h VAL 193 Cb 0.11 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3hye h VAL 193 CO -0.02 0.31 0.59 0.25 0.02 0.00 0.00 177.57 178.73 3hye h LEU 194 N 0.65 1.02 0.14 2.57 5.85 -0.76 -1.58 115.31 123.20 3hye h LEU 194 Ca 0.15 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3hye h LEU 194 Cb 0.36 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3hye h LEU 194 CO 0.01 0.74 -0.07 0.50 -0.34 0.00 0.00 178.44 179.28 3hye h LYS 195 N 1.21 -0.18 -0.85 1.25 3.64 -0.49 -2.53 116.57 118.61 3hye h LYS 195 Ca 0.33 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3hye h LYS 195 Cb -0.13 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3hye h LYS 195 CO -0.07 0.22 0.55 0.82 -2.27 0.00 0.00 179.45 178.70 3hye h ILE 196 N -0.64 1.22 -0.78 2.00 1.08 -1.26 -1.40 117.51 117.74 3hye h ILE 196 Ca -0.02 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 3hye h ILE 196 Cb 0.48 -0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.17 3hye h ILE 196 CO 0.03 0.22 0.48 -0.07 -0.69 0.00 0.00 178.15 178.12 3hye h LEU 197 N 1.16 0.92 -1.07 1.44 3.38 -1.31 -2.07 115.31 117.75 3hye h LEU 197 Ca 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3hye h LEU 197 Cb -0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 3hye h LEU 197 CO -0.07 0.71 0.31 0.50 0.09 0.00 0.00 178.44 179.98 3hye h LYS 198 N 1.06 0.96 -0.48 1.13 3.64 -0.85 -0.00 116.57 122.04 3hye h LYS 198 Ca 0.28 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 3hye h LYS 198 Cb -0.06 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3hye h LYS 198 CO -0.05 0.76 -0.22 1.96 -2.27 0.00 0.00 179.45 179.62 3hye h GLN 199 N 0.96 0.99 0.00 1.90 4.20 -0.64 -3.31 115.11 119.20 3hye h GLN 199 Ca 0.23 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3hye h GLN 199 Cb 0.12 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3hye h GLN 199 CO -0.03 1.10 -1.12 1.33 -0.67 0.00 0.00 178.83 179.44 3hye n VAL 200 N -4.12 0.50 -2.24 -0.54 0.24 -0.87 -4.92 118.33 106.38 3hye n VAL 200 Ca -0.00 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.34 61.37 3hye n VAL 200 Cb 0.46 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.55 3hye n VAL 200 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3hye s MET 201 N -3.37 4.41 0.18 7.34 -1.94 -0.03 -4.82 119.30 121.07 3hye s MET 201 Ca -0.01 2.03 -0.11 0.00 -1.71 0.00 0.00 55.69 55.89 3hye s MET 201 Cb 0.11 -3.19 0.08 0.00 2.01 0.00 0.00 34.83 33.83 3hye s MET 201 CO 0.80 -0.21 1.71 0.93 -0.01 0.00 0.00 175.02 178.24 3hye h GLU 202 N 5.12 0.96 -7.34 2.03 4.39 -1.90 -3.44 114.58 114.40 3hye h GLU 202 Ca -0.45 -0.21 -0.50 0.00 0.34 0.00 0.00 59.36 58.55 3hye h GLU 202 Cb 1.22 -0.14 0.07 0.00 -0.10 0.00 0.00 28.75 29.79 3hye h GLU 202 CO 0.75 0.85 0.36 -1.21 -1.16 0.00 0.00 179.01 178.60 3hye s GLU 205 N -5.40 3.17 -0.35 2.33 0.41 -1.26 -5.00 118.70 112.59 3hye s GLU 205 Ca -0.13 0.47 -0.29 0.00 -0.41 0.00 0.00 54.97 54.62 3hye s GLU 205 Cb 0.13 -2.11 0.02 0.00 -1.78 0.00 0.00 34.13 30.39 3hye s GLU 205 CO 0.81 -0.76 1.11 0.21 -0.49 0.00 0.00 175.26 176.14 3hye s LYS 206 N -5.20 3.98 0.16 1.61 2.20 -1.26 -4.96 119.74 116.26 3hye s LYS 206 Ca 0.56 0.97 -0.33 0.00 -0.36 0.00 0.00 55.97 56.81 3hye s LYS 206 Cb -0.11 -3.79 -0.13 0.00 -1.51 0.00 0.00 37.83 32.30 3hye s LYS 206 CO 0.51 -1.03 1.68 -0.11 -0.36 0.00 0.00 175.35 176.04 3hye n LEU 207 N 7.15 3.55 -4.16 5.43 0.00 -1.26 -4.96 117.00 122.76 3hye n LEU 207 Ca 0.12 1.06 -0.16 0.00 0.00 0.00 0.00 56.01 57.03 3hye n LEU 207 Cb 0.47 -1.49 -0.06 0.00 0.00 0.00 0.00 43.42 42.35 3hye n LEU 207 CO 0.62 -0.05 0.04 1.51 0.00 0.00 0.00 177.39 179.51 3hye s ASP 208 N 1.45 1.15 0.00 1.96 -4.77 -1.26 -5.05 116.67 110.15 3hye s ASP 208 Ca 0.79 -1.58 -0.01 0.00 -3.30 0.00 0.00 52.55 48.45 3hye s ASP 208 Cb -0.59 0.62 -0.05 0.00 -1.09 0.00 0.00 42.92 41.80 3hye s ASP 208 CO 0.37 -1.20 1.49 -1.84 0.70 0.00 0.00 175.17 174.69 3hye n GLU 209 N -0.57 0.74 0.00 2.11 0.00 -1.26 -3.20 120.64 118.46 3hye n GLU 209 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.01 3hye n GLU 209 Cb 0.62 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.65 3hye n GLU 209 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3hye n ASN 20 N 2.05 0.00 -3.81 -1.84 0.23 -1.26 -4.75 115.26 105.88 3hye n ASN 20 Ca 0.08 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.01 3hye n ASN 20 Cb 0.36 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.97 3hye n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hye s ALA 210 N 0.00 -0.55 -0.05 -2.53 0.00 -1.19 -0.31 121.76 117.12 3hye s ALA 210 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 3hye s ALA 210 Cb 0.00 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3hye s ALA 210 CO 0.00 -0.29 0.13 -1.14 0.00 0.00 0.00 175.76 174.46 3hye s GLN 211 N -1.81 0.15 0.30 0.00 0.74 -0.73 -4.89 119.66 113.43 3hye s GLN 211 Ca -0.11 0.20 0.09 0.00 0.05 0.00 0.00 55.36 55.60 3hye s GLN 211 Cb -0.04 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.07 3hye s GLN 211 CO 0.01 -0.03 0.04 -0.51 -0.55 0.00 0.00 175.29 174.24 3hye s LEU 212 N 0.19 3.18 0.10 3.68 1.43 -1.26 -1.64 118.68 124.36 3hye s LEU 212 Ca -0.01 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.08 3hye s LEU 212 Cb -0.02 -1.66 0.08 0.00 0.03 0.00 0.00 46.19 44.62 3hye s LEU 212 CO -0.00 -0.13 0.98 -0.94 0.23 0.00 0.00 176.35 176.49 3hye s SER 213 N -3.73 -0.20 0.34 2.29 1.04 -0.47 -1.08 113.70 111.89 3hye s SER 213 Ca 0.34 -0.30 -0.17 0.00 0.48 0.00 0.00 55.95 56.30 3hye s SER 213 Cb -0.04 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3hye s SER 213 CO 0.21 -0.78 0.74 0.00 0.98 0.00 0.00 173.24 174.39 3hye s ILE 215 N -2.96 -0.13 0.06 0.00 -1.16 -0.65 -1.00 121.20 115.35 3hye s ILE 215 Ca 0.15 0.25 0.06 0.00 -0.51 0.00 0.00 60.65 60.60 3hye s ILE 215 Cb -0.05 -0.25 -0.03 0.00 0.61 0.00 0.00 42.46 42.74 3hye s ILE 215 CO 0.10 0.11 -0.16 0.42 -2.81 0.00 0.00 174.94 172.60 3hye s THR 216 N 1.61 1.27 0.26 4.00 -4.23 -1.12 -2.08 115.64 115.35 3hye s THR 216 Ca -0.04 -1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 3hye s THR 216 Cb -0.12 -1.17 0.24 0.00 1.34 0.00 0.00 72.50 72.80 3hye s THR 216 CO -0.06 -0.07 1.78 0.50 -0.54 0.00 0.00 174.62 176.23 3hye h LYS 217 N 4.54 0.68 0.06 3.99 3.64 -1.90 0.74 116.57 128.31 3hye h LYS 217 Ca -0.41 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3hye h LYS 217 Cb 1.18 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3hye h LYS 217 CO 0.42 0.45 -0.03 0.37 -2.27 0.00 0.00 179.45 178.39 3hye h GLN 218 N 0.70 -0.07 -0.01 1.90 4.15 -1.98 -3.36 115.11 116.43 3hye h GLN 218 Ca 0.46 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.88 3hye h GLN 218 Cb 0.59 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3hye h GLN 218 CO -0.33 0.28 -0.00 -0.25 -1.93 0.00 0.00 178.83 176.60 3hye n ASP 219 N -4.96 1.91 -0.11 -0.69 9.92 -1.12 -5.11 116.55 116.40 3hye n ASP 219 Ca -0.08 -1.45 0.00 0.00 -0.53 0.00 0.00 54.79 52.72 3hye n ASP 219 Cb 0.21 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 3hye n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hye n GLY 220 N 0.62 -0.60 3.68 0.44 0.00 0.26 -4.75 105.19 104.84 3hye n GLY 220 Ca 0.06 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3hye n GLY 220 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hye s PHE 221 N 0.00 3.04 -0.01 1.61 2.19 0.30 -2.78 117.98 122.32 3hye s PHE 221 Ca 0.00 1.08 0.02 0.00 0.33 0.00 0.00 56.93 58.36 3hye s PHE 221 Cb 0.00 -3.50 -0.00 0.00 -1.31 0.00 0.00 43.02 38.21 3hye s PHE 221 CO 0.00 -1.67 -0.07 0.15 1.83 0.00 0.00 175.22 175.47 3hye s LYS 222 N 2.50 0.61 -0.26 10.12 -0.14 -0.17 -5.00 119.74 127.39 3hye s LYS 222 Ca 0.58 -0.23 -0.11 0.00 -1.36 0.00 0.00 55.97 54.85 3hye s LYS 222 Cb -0.26 -0.60 -0.05 0.00 -1.68 0.00 0.00 37.83 35.25 3hye s LYS 222 CO 0.22 0.11 0.17 0.42 -0.76 0.00 0.00 175.35 175.52 3hye s ILE 223 N 0.01 5.30 0.06 2.17 1.01 -1.26 -1.76 121.20 126.73 3hye s ILE 223 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.51 3hye s ILE 223 Cb -0.05 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.84 3hye s ILE 223 CO -0.00 0.29 1.60 -0.31 0.00 0.00 0.00 174.94 176.52 3hye s TYR 224 N 1.48 2.55 0.79 3.97 4.12 -0.24 -4.98 117.35 125.03 3hye s TYR 224 Ca 0.07 0.44 -0.11 0.00 0.02 0.00 0.00 57.07 57.49 3hye s TYR 224 Cb -0.15 -3.91 0.06 0.00 -1.52 0.00 0.00 41.96 36.45 3hye s TYR 224 CO 0.08 -3.57 1.09 0.16 0.02 0.00 0.00 175.55 173.33 3hye s ASP 225 N 2.21 4.45 0.20 2.29 -4.77 -1.26 -4.59 116.67 115.20 3hye s ASP 225 Ca 0.72 1.69 -0.11 0.00 -3.30 0.00 0.00 52.55 51.54 3hye s ASP 225 Cb -0.39 -2.42 0.26 0.00 -1.09 0.00 0.00 42.92 39.29 3hye s ASP 225 CO 0.31 -2.05 1.69 0.78 0.70 0.00 0.00 175.17 176.60 3hye h ASN 226 N -1.14 -0.11 -0.57 2.11 -0.26 -1.94 -2.27 115.58 111.40 3hye h ASN 226 Ca -0.45 0.12 0.10 0.00 -0.56 0.00 0.00 56.30 55.51 3hye h ASN 226 Cb 1.24 0.19 -0.08 0.00 -1.06 0.00 0.00 38.32 38.61 3hye h ASN 226 CO 0.53 -0.04 0.13 -0.33 -1.06 0.00 0.00 177.43 176.67 3hye h GLU 227 N 0.19 0.27 -0.74 0.81 3.07 -1.92 0.84 114.58 117.10 3hye h GLU 227 Ca 0.29 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 3hye h GLU 227 Cb 0.45 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 3hye h GLU 227 CO -0.42 0.18 0.49 -0.22 -1.40 0.00 0.00 179.01 177.63 3hye h LYS 228 N 0.28 0.96 -0.19 2.33 3.64 -1.78 -2.92 116.57 118.89 3hye h LYS 228 Ca 0.29 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.40 3hye h LYS 228 Cb 0.41 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3hye h LYS 228 CO -0.36 0.64 -0.71 1.15 -2.27 0.00 0.00 179.45 177.89 3hye h THR 229 N 0.99 1.28 -0.59 1.00 2.02 -1.10 -3.08 112.91 113.42 3hye h THR 229 Ca 0.28 -1.90 0.12 0.00 0.77 0.00 0.00 66.41 65.67 3hye h THR 229 Cb -0.10 1.90 -0.10 0.00 -1.74 0.00 0.00 68.15 68.11 3hye h THR 229 CO -0.07 0.61 -0.01 0.00 0.37 0.00 0.00 175.52 176.42 3hye h ALA 230 N 0.58 0.56 -0.82 6.16 0.00 -0.71 0.26 119.26 125.29 3hye h ALA 230 Ca -0.04 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 230 Cb 1.34 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 3hye h ALA 230 CO 0.15 -0.39 0.54 0.93 0.00 0.00 0.00 179.25 180.47 3hye h GLU 231 N 0.11 1.04 0.00 0.00 5.08 -1.53 -0.10 114.58 119.18 3hye h GLU 231 Ca 0.30 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3hye h GLU 231 Cb 0.48 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3hye h GLU 231 CO -0.51 0.69 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.90 3hye h LEU 232 N 1.07 0.00 0.28 1.33 3.38 -0.74 -0.12 115.31 120.52 3hye h LEU 232 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3hye h LEU 232 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hye h LEU 232 CO -0.09 0.22 -0.14 0.40 0.09 0.00 0.00 178.44 178.93 3hye h ILE 233 N 0.00 0.75 -0.50 1.22 1.08 0.11 -2.19 117.51 117.98 3hye h ILE 233 Ca -0.00 -0.55 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 3hye h ILE 233 Cb 0.42 1.04 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 3hye h ILE 233 CO 0.03 0.11 0.04 0.50 -0.69 0.00 0.00 178.15 178.14 3hye h LYS 235 N -0.68 0.15 -0.07 2.37 3.64 -0.77 0.20 116.57 121.40 3hye h LYS 235 Ca -0.04 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3hye h LYS 235 Cb 0.47 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3hye h LYS 235 CO 0.06 0.10 0.05 1.49 -2.27 0.00 0.00 179.45 178.88 3hye h GLU 236 N 0.16 0.01 0.01 1.90 4.81 -0.98 -1.65 114.58 118.84 3hye h GLU 236 Ca 0.25 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3hye h GLU 236 Cb 0.37 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hye h GLU 236 CO -0.38 0.01 -0.47 1.25 -0.73 0.00 0.00 179.01 178.69 3hye h LEU 237 N 0.01 0.39 -0.70 1.64 7.12 -0.35 -2.39 115.31 121.03 3hye h LEU 237 Ca 0.03 -0.80 0.08 0.00 0.13 0.00 0.00 57.88 57.33 3hye h LEU 237 Cb 0.11 -0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 40.05 3hye h LEU 237 CO -0.00 1.14 0.37 0.50 -0.13 0.00 0.00 178.44 180.31 3hye h LYS 238 N -0.32 0.63 -0.37 1.25 3.64 -0.70 -0.85 116.57 119.86 3hye h LYS 238 Ca -0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3hye h LYS 238 Cb 1.22 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3hye h LYS 238 CO 0.09 0.42 0.12 0.93 -2.27 0.00 0.00 179.45 178.74 3hye h GLU 239 N 0.65 0.58 0.00 1.90 5.08 -1.36 -1.09 114.58 120.34 3hye h GLU 239 Ca 0.34 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3hye h GLU 239 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hye h GLU 239 CO -0.24 0.59 -0.33 0.87 -1.00 0.00 0.00 179.01 178.90 3hye h LYS 240 N 0.45 0.00 -0.02 2.33 1.57 -0.87 -2.03 116.57 118.00 3hye h LYS 240 Ca 0.12 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3hye h LYS 240 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3hye h LYS 240 CO -0.00 0.33 -0.27 0.93 -0.57 0.00 0.00 179.45 179.87 3hye h GLU 241 N 0.00 0.22 0.00 3.15 5.08 -0.95 -3.09 114.58 118.99 3hye h GLU 241 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3hye h GLU 241 Cb 0.62 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3hye h GLU 241 CO 0.04 0.90 0.00 0.00 -1.00 0.00 0.00 179.01 178.95 3hye h ALA 242 N 0.33 1.00 0.00 3.43 0.00 -1.11 -2.04 119.26 120.87 3hye h ALA 242 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 242 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hye h ALA 242 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3hye n ALA 243 N -1.80 2.29 0.00 0.00 0.00 -0.77 -5.08 120.51 115.14 3hye n ALA 243 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hye n ALA 243 Cb 0.15 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3hye n ALA 243 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89