#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yxy s PRO 5 N 0.00 3.70 0.76 1.97 0.04 -1.26 -5.02 135.00 135.19 1yxy s PRO 5 Ca 0.00 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 1yxy s PRO 5 Cb 0.00 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1yxy s PRO 5 CO 0.00 -0.52 1.13 0.95 0.04 0.00 0.00 177.00 178.60 1yxy s THR 6 N -1.95 2.87 0.26 1.26 -4.23 -1.26 -4.81 115.64 107.77 1yxy s THR 6 Ca 0.68 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.51 1yxy s THR 6 Cb -0.18 -2.77 0.24 0.00 1.34 0.00 0.00 72.50 71.14 1yxy s THR 6 CO 0.22 -0.31 1.85 0.50 -0.54 0.00 0.00 174.62 176.34 1yxy h LYS 7 N -0.77 0.97 -0.04 3.99 3.64 -1.99 -0.61 116.57 121.78 1yxy h LYS 7 Ca -0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1yxy h LYS 7 Cb 1.25 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1yxy h LYS 7 CO 0.50 0.64 0.00 1.49 -2.27 0.00 0.00 179.45 179.82 1yxy h GLU 8 N 1.00 0.02 -0.70 1.90 4.81 -1.99 0.97 114.58 120.59 1yxy h GLU 8 Ca 0.42 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.57 1yxy h GLU 8 Cb 0.27 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1yxy h GLU 8 CO -0.20 0.01 0.15 0.87 -0.73 0.00 0.00 179.01 179.11 1yxy h LYS 9 N 0.02 1.14 -0.44 1.92 1.79 -1.84 -1.34 116.57 117.82 1yxy h LYS 9 Ca 0.02 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.13 1yxy h LYS 9 Cb 0.01 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 1yxy h LYS 9 CO -0.02 1.01 -0.02 1.25 -1.08 0.00 0.00 179.45 180.59 1yxy h LEU 10 N 1.07 0.77 -0.98 2.94 5.85 -0.93 -2.13 115.31 121.90 1yxy h LEU 10 Ca 0.22 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1yxy h LEU 10 Cb 0.40 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1yxy h LEU 10 CO 0.01 0.90 0.64 0.24 -0.34 0.00 0.00 178.44 179.89 1yxy h MET 11 N 0.62 1.21 -0.73 1.25 2.86 -0.57 -0.17 114.93 119.40 1yxy h MET 11 Ca 0.12 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1yxy h MET 11 Cb 0.52 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1yxy h MET 11 CO 0.03 0.80 0.48 1.49 1.06 0.00 0.00 176.91 180.76 1yxy h GLU 12 N 1.24 0.96 -0.54 1.72 4.81 -1.05 -1.49 114.58 120.23 1yxy h GLU 12 Ca 0.39 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1yxy h GLU 12 Cb -0.00 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1yxy h GLU 12 CO -0.12 0.64 0.01 0.37 -0.73 0.00 0.00 179.01 179.18 1yxy h GLN 13 N 0.98 0.94 0.00 1.92 5.75 -0.63 -3.29 115.11 120.79 1yxy h GLN 13 Ca 0.27 -0.29 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 1yxy h GLN 13 Cb -0.11 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 1yxy h GLN 13 CO -0.06 0.95 -0.78 -0.07 -2.65 0.00 0.00 178.83 176.22 1yxy h LEU 14 N 0.82 0.00 -9.51 -2.39 3.38 -0.88 -3.46 115.31 103.27 1yxy h LEU 14 Ca 0.16 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.58 1yxy h LEU 14 Cb 0.51 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.31 1yxy h LEU 14 CO 0.02 0.50 1.04 1.17 0.09 0.00 0.00 178.44 181.26 1yxy n LYS 15 N -3.10 2.62 -1.08 1.13 4.81 -0.58 -2.31 118.16 119.65 1yxy n LYS 15 Ca -0.01 0.95 -0.03 0.00 -0.87 0.00 0.00 58.31 58.35 1yxy n LYS 15 Cb 0.75 -2.81 -0.01 0.00 0.02 0.00 0.00 35.03 32.98 1yxy n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yxy n GLY 16 N 4.06 0.57 1.92 3.14 0.00 -1.26 -4.99 105.19 108.62 1yxy n GLY 16 Ca 0.18 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1yxy n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yxy n GLY 17 N -1.81 3.84 3.24 -0.02 0.00 -0.98 -5.13 105.19 104.34 1yxy n GLY 17 Ca -0.03 -2.27 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 1yxy n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yxy s ILE 18 N -2.01 2.35 -0.11 -0.61 -1.09 -1.26 -4.08 121.20 114.39 1yxy s ILE 18 Ca 0.01 -0.90 -0.15 0.00 -2.23 0.00 0.00 60.65 57.38 1yxy s ILE 18 Cb 0.00 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.88 1yxy s ILE 18 CO 0.01 0.54 0.37 -0.63 -1.23 0.00 0.00 174.94 174.00 1yxy s ILE 19 N 0.58 5.21 -0.22 2.92 1.01 0.97 -1.19 121.20 130.49 1yxy s ILE 19 Ca -0.11 0.72 -0.06 0.00 0.00 0.00 0.00 60.65 61.20 1yxy s ILE 19 Cb -0.16 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1yxy s ILE 19 CO 0.03 0.43 0.03 -0.69 0.00 0.00 0.00 174.94 174.74 1yxy s VAL 20 N 0.08 4.15 -0.22 2.92 1.01 -0.62 -0.87 120.40 126.85 1yxy s VAL 20 Ca 0.21 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 1yxy s VAL 20 Cb -0.14 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1yxy s VAL 20 CO 0.08 0.39 0.88 -0.55 0.00 0.00 0.00 175.10 175.90 1yxy s SER 21 N 1.23 6.92 -0.76 3.32 0.15 -0.20 -1.32 113.70 123.05 1yxy s SER 21 Ca 0.04 1.15 0.02 0.00 0.70 0.00 0.00 55.95 57.85 1yxy s SER 21 Cb -0.15 -2.46 0.19 0.00 -1.71 0.00 0.00 66.02 61.89 1yxy s SER 21 CO 0.02 -0.52 0.59 0.00 1.20 0.00 0.00 173.24 174.52 1yxy s GLN 23 N -1.24 1.38 -0.25 0.00 -0.21 -1.26 -4.53 119.66 113.54 1yxy s GLN 23 Ca 0.25 -1.07 -0.05 0.00 0.02 0.00 0.00 55.36 54.51 1yxy s GLN 23 Cb -0.08 -1.59 0.13 0.00 1.00 0.00 0.00 33.01 32.48 1yxy s GLN 23 CO -0.13 0.39 0.49 0.00 -2.12 0.00 0.00 175.29 173.92 1yxy s ALA 24 N -0.93 -1.54 0.28 6.09 0.00 -1.26 -4.91 121.76 119.50 1yxy s ALA 24 Ca 0.09 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 1yxy s ALA 24 Cb -0.09 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1yxy s ALA 24 CO 0.03 -1.08 0.49 -0.51 0.00 0.00 0.00 175.76 174.69 1yxy s LEU 25 N 2.70 4.11 0.17 0.00 1.02 -1.26 -4.67 118.68 120.74 1yxy s LEU 25 Ca 0.08 0.48 -0.33 0.00 0.02 0.00 0.00 54.13 54.37 1yxy s LEU 25 Cb -0.14 -3.30 -0.15 0.00 0.02 0.00 0.00 46.19 42.62 1yxy s LEU 25 CO -0.17 -0.18 1.27 -2.65 0.02 0.00 0.00 176.35 174.64 1yxy n PRO 26 N -1.20 1.37 0.00 1.29 -0.02 -1.26 -1.11 135.00 134.08 1yxy n PRO 26 Ca -0.04 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1yxy n PRO 26 Cb 0.55 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1yxy n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yxy n GLY 27 N 2.23 2.61 3.81 -1.23 0.00 -1.26 -5.08 105.19 106.27 1yxy n GLY 27 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1yxy n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yxy s GLU 28 N -0.24 4.00 0.50 1.61 2.02 -0.26 -4.97 118.70 121.35 1yxy s GLU 28 Ca 0.00 1.20 0.17 0.00 0.02 0.00 0.00 54.97 56.36 1yxy s GLU 28 Cb 0.00 -2.14 1.22 0.00 0.10 0.00 0.00 34.13 33.31 1yxy s GLU 28 CO 0.00 -0.24 2.09 -1.00 0.02 0.00 0.00 175.26 176.13 1yxy h PRO 29 N 1.62 0.00 -0.54 0.39 0.13 -1.98 -1.98 132.00 129.64 1yxy h PRO 29 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1yxy h PRO 29 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1yxy h PRO 29 CO 0.60 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 1yxy n LEU 30 N -4.31 3.02 -4.68 1.56 4.77 -1.26 -4.87 117.00 111.22 1yxy n LEU 30 Ca -0.03 -1.49 -0.42 0.00 -0.03 0.00 0.00 56.01 54.04 1yxy n LEU 30 Cb 0.17 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1yxy n LEU 30 CO 0.34 0.75 0.90 -0.47 -1.33 0.00 0.00 177.39 177.58 1yxy s TYR 31 N -1.28 3.30 -0.11 -1.77 5.04 -0.75 -4.76 117.35 117.03 1yxy s TYR 31 Ca 0.38 1.35 0.03 0.00 -2.44 0.00 0.00 57.07 56.40 1yxy s TYR 31 Cb 0.20 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 39.18 1yxy s TYR 31 CO 0.26 -0.90 -0.23 0.45 -1.34 0.00 0.00 175.55 173.79 1yxy s SER 32 N 1.35 3.15 0.53 4.32 0.15 -1.26 -4.94 113.70 117.00 1yxy s SER 32 Ca 0.52 -0.56 0.19 0.00 0.70 0.00 0.00 55.95 56.81 1yxy s SER 32 Cb -0.22 -1.43 1.37 0.00 -1.71 0.00 0.00 66.02 64.03 1yxy s SER 32 CO 0.19 0.14 2.15 -0.33 1.20 0.00 0.00 173.24 176.59 1yxy h GLU 33 N 6.86 0.00 -0.53 5.44 5.08 -2.01 -1.90 114.58 127.52 1yxy h GLU 33 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1yxy h GLU 33 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1yxy h GLU 33 CO 0.50 0.03 0.00 0.25 -1.00 0.00 0.00 179.01 178.79 1yxy n THR 34 N -4.31 0.75 -4.56 1.13 -2.24 -1.26 -5.08 114.28 98.71 1yxy n THR 34 Ca -0.03 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1yxy n THR 34 Cb 0.11 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1yxy n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yxy n GLY 35 N 1.45 0.23 2.16 3.38 0.00 -0.72 -4.96 105.19 106.74 1yxy n GLY 35 Ca 0.21 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1yxy n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yxy n GLY 36 N 0.00 1.29 0.22 -0.02 0.00 -1.26 -4.77 105.19 100.65 1yxy n GLY 36 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1yxy n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yxy n ILE 37 N -2.00 1.38 -0.31 -0.61 2.08 -1.26 -4.37 119.36 114.27 1yxy n ILE 37 Ca 0.00 -0.29 0.01 0.00 0.56 0.00 0.00 62.75 63.04 1yxy n ILE 37 Cb 0.00 -1.89 0.20 0.00 -0.75 0.00 0.00 39.64 37.20 1yxy n ILE 37 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 1yxy h MET 38 N -0.90 1.11 -0.53 0.38 2.86 -1.89 -1.21 114.93 114.75 1yxy h MET 38 Ca -0.56 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.08 1yxy h MET 38 Cb 1.48 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 1yxy h MET 38 CO -0.34 0.73 0.35 -1.00 1.06 0.00 0.00 176.91 177.71 1yxy h PRO 39 N 1.14 0.45 -0.43 -0.22 0.13 -1.87 -0.13 132.00 131.07 1yxy h PRO 39 Ca 0.37 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.35 1yxy h PRO 39 Cb 0.03 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.04 1yxy h PRO 39 CO -0.11 0.30 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.69 1yxy h LEU 40 N 0.46 0.86 -0.53 1.56 3.38 -1.44 0.39 115.31 120.00 1yxy h LEU 40 Ca 0.23 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1yxy h LEU 40 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1yxy h LEU 40 CO -0.06 1.04 0.27 -0.03 0.09 0.00 0.00 178.44 179.74 1yxy h MET 41 N 0.74 0.75 -0.62 1.13 4.05 -0.85 -0.61 114.93 119.53 1yxy h MET 41 Ca 0.11 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1yxy h MET 41 Cb 0.72 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 1yxy h MET 41 CO 0.06 0.61 0.13 0.00 0.23 0.00 0.00 176.91 177.93 1yxy h ALA 42 N 1.11 0.83 -0.53 0.39 0.00 -0.84 -1.25 119.26 118.96 1yxy h ALA 42 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yxy h ALA 42 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1yxy h ALA 42 CO -0.03 0.56 0.31 -0.22 0.00 0.00 0.00 179.25 179.87 1yxy h LYS 43 N 0.93 0.58 -0.52 0.00 3.64 -0.74 -0.03 116.57 120.43 1yxy h LYS 43 Ca 0.19 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1yxy h LYS 43 Cb 0.39 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1yxy h LYS 43 CO 0.01 0.39 0.27 0.00 -2.27 0.00 0.00 179.45 177.84 1yxy h ALA 44 N 1.25 0.67 -0.34 5.00 0.00 -0.76 -0.46 119.26 124.63 1yxy h ALA 44 Ca 0.22 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1yxy h ALA 44 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yxy h ALA 44 CO -0.12 -0.08 0.21 0.00 0.00 0.00 0.00 179.25 179.26 1yxy h ALA 45 N 1.28 0.43 -0.41 0.00 0.00 -0.79 -1.47 119.26 118.30 1yxy h ALA 45 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1yxy h ALA 45 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1yxy h ALA 45 CO -0.16 -0.14 0.24 0.37 0.00 0.00 0.00 179.25 179.55 1yxy h GLN 46 N 0.42 0.57 0.00 0.00 4.15 -0.61 -0.34 115.11 119.31 1yxy h GLN 46 Ca 0.13 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 1yxy h GLN 46 Cb -0.01 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1yxy h GLN 46 CO -0.05 0.44 -0.21 0.93 -1.93 0.00 0.00 178.83 178.01 1yxy h GLU 47 N 0.54 0.00 0.00 1.69 5.08 -0.90 -1.27 114.58 119.72 1yxy h GLU 47 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1yxy h GLU 47 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1yxy h GLU 47 CO -0.03 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1yxy h ALA 48 N 1.79 1.00 0.00 3.43 0.00 -0.80 -3.47 119.26 121.21 1yxy h ALA 48 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yxy h ALA 48 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yxy h ALA 48 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1yxy n GLY 49 N 0.37 1.29 3.73 0.00 0.00 -0.48 -5.09 105.19 105.00 1yxy n GLY 49 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1yxy n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yxy s ALA 50 N -2.00 2.25 -1.21 4.61 0.00 -0.18 -4.77 121.76 120.47 1yxy s ALA 50 Ca 0.00 1.01 0.18 0.00 0.00 0.00 0.00 51.96 53.15 1yxy s ALA 50 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 1yxy s ALA 50 CO 0.00 -1.70 0.82 1.33 0.00 0.00 0.00 175.76 176.21 1yxy n VAL 51 N -2.30 0.00 -3.74 0.00 0.24 -0.33 -4.76 118.33 107.44 1yxy n VAL 51 Ca 0.14 -0.19 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 1yxy n VAL 51 Cb 0.49 1.10 -0.01 0.00 -1.47 0.00 0.00 33.84 33.95 1yxy n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1yxy s GLY 52 N -2.37 -0.23 -0.02 7.63 0.00 -1.25 -4.33 107.32 106.74 1yxy s GLY 52 Ca 0.10 0.18 0.04 0.00 0.00 0.00 0.00 44.72 45.04 1yxy s GLY 52 CO 0.59 0.28 -0.13 -0.42 0.00 0.00 0.00 173.10 173.42 1yxy s ILE 53 N -3.01 1.10 -0.15 0.90 -1.09 -0.47 -1.59 121.20 116.90 1yxy s ILE 53 Ca 0.14 -0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 57.94 1yxy s ILE 53 Cb -0.00 -0.94 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 1yxy s ILE 53 CO 0.01 0.32 0.02 -0.60 -1.23 0.00 0.00 174.94 173.47 1yxy s ARG 54 N -0.11 3.61 0.03 2.79 3.52 -0.43 -0.27 118.95 128.09 1yxy s ARG 54 Ca 0.01 -0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 55.15 1yxy s ARG 54 Cb -0.08 -3.02 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1yxy s ARG 54 CO 0.00 0.40 0.12 0.00 -0.81 0.00 0.00 175.30 175.01 1yxy s ALA 55 N -0.04 -0.16 -0.04 6.12 0.00 -0.33 -0.46 121.76 126.85 1yxy s ALA 55 Ca 0.04 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1yxy s ALA 55 Cb -0.13 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1yxy s ALA 55 CO 0.02 -0.29 -0.19 1.21 0.00 0.00 0.00 175.76 176.50 1yxy s ASN 56 N -1.93 3.61 0.00 0.00 2.47 -1.26 -1.65 114.94 116.18 1yxy s ASN 56 Ca -0.08 -0.32 0.00 0.00 0.42 0.00 0.00 52.86 52.89 1yxy s ASN 56 Cb -0.03 -0.65 0.00 0.00 -1.45 0.00 0.00 41.25 39.12 1yxy s ASN 56 CO -0.03 0.33 0.00 -1.54 -3.72 0.00 0.00 177.10 172.14 1yxy n SER 57 N 2.39 -0.35 -0.24 -4.21 3.41 -0.28 -4.25 113.62 110.10 1yxy n SER 57 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.42 1yxy n SER 57 Cb 0.52 0.72 0.08 0.00 -0.26 0.00 0.00 64.21 65.27 1yxy n SER 57 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1yxy h VAL 58 N 0.00 1.04 0.19 -3.33 2.07 -1.97 -1.41 116.25 112.85 1yxy h VAL 58 Ca 0.00 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1yxy h VAL 58 Cb 0.00 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1yxy h VAL 58 CO 0.00 0.14 -0.15 -0.09 0.02 0.00 0.00 177.57 177.49 1yxy h ARG 59 N 0.77 -0.34 -0.51 1.57 2.43 -2.00 -1.72 114.38 114.58 1yxy h ARG 59 Ca 0.28 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1yxy h ARG 59 Cb 0.09 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1yxy h ARG 59 CO -0.14 -0.23 0.10 -0.44 -1.51 0.00 0.00 179.97 177.76 1yxy h ASP 60 N -0.36 0.80 -0.33 -3.80 5.19 -1.70 -1.98 116.42 114.24 1yxy h ASP 60 Ca -0.01 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1yxy h ASP 60 Cb 0.32 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1yxy h ASP 60 CO -0.01 0.84 0.21 0.40 -3.12 0.00 0.00 179.24 177.56 1yxy h ILE 61 N 0.72 1.09 -0.69 0.35 2.04 -1.17 -0.46 117.51 119.39 1yxy h ILE 61 Ca 0.16 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1yxy h ILE 61 Cb 0.37 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1yxy h ILE 61 CO 0.01 0.09 0.38 0.11 0.00 0.00 0.00 178.15 178.73 1yxy h LYS 62 N 0.43 0.96 -0.66 2.37 1.57 -1.19 0.11 116.57 120.16 1yxy h LYS 62 Ca 0.12 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1yxy h LYS 62 Cb -0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1yxy h LYS 62 CO -0.02 0.72 0.19 0.93 -0.57 0.00 0.00 179.45 180.69 1yxy h GLU 63 N 0.94 1.02 -0.33 3.15 5.08 -1.09 -2.34 114.58 121.01 1yxy h GLU 63 Ca 0.24 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1yxy h GLU 63 Cb 0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1yxy h GLU 63 CO -0.04 0.88 -0.14 0.82 -1.00 0.00 0.00 179.01 179.54 1yxy h ILE 64 N 0.98 1.29 -0.45 3.13 2.04 -0.64 -2.96 117.51 120.89 1yxy h ILE 64 Ca 0.21 -1.23 0.10 0.00 1.00 0.00 0.00 64.86 64.94 1yxy h ILE 64 Cb 0.30 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1yxy h ILE 64 CO -0.01 0.40 0.31 1.56 0.00 0.00 0.00 178.15 180.42 1yxy h GLN 65 N 0.45 0.17 0.00 2.37 4.20 -0.56 -1.07 115.11 120.68 1yxy h GLN 65 Ca 0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1yxy h GLN 65 Cb 0.66 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1yxy h GLN 65 CO 0.04 0.11 -0.11 0.00 -0.67 0.00 0.00 178.83 178.21 1yxy h ALA 66 N 1.77 1.08 -0.00 3.87 0.00 -1.25 -3.30 119.26 121.43 1yxy h ALA 66 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1yxy h ALA 66 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1yxy h ALA 66 CO -0.03 0.14 -0.10 0.44 0.00 0.00 0.00 179.25 179.70 1yxy n ILE 67 N -3.33 0.00 -3.87 0.00 -6.64 -0.49 -5.04 119.36 99.98 1yxy n ILE 67 Ca -0.00 -0.45 -0.11 0.00 -1.77 0.00 0.00 62.75 60.41 1yxy n ILE 67 Cb 0.31 1.01 -0.10 0.00 -1.44 0.00 0.00 39.64 39.42 1yxy n ILE 67 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1yxy s THR 68 N -1.03 0.07 -2.28 7.28 -1.32 -0.67 -4.91 115.64 112.78 1yxy s THR 68 Ca 0.02 -0.58 0.23 0.00 -1.21 0.00 0.00 61.69 60.14 1yxy s THR 68 Cb 0.02 -0.38 0.50 0.00 -1.51 0.00 0.00 72.50 71.13 1yxy s THR 68 CO 0.09 -0.32 1.44 0.47 -2.21 0.00 0.00 174.62 174.10 1yxy n ASP 69 N 1.73 3.64 -4.75 8.08 8.00 -1.26 -4.52 116.55 127.47 1yxy n ASP 69 Ca -0.21 -1.99 -0.39 0.00 0.71 0.00 0.00 54.79 52.90 1yxy n ASP 69 Cb 0.56 -0.33 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1yxy n ASP 69 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1yxy n LEU 70 N 1.54 5.41 -4.77 0.64 4.77 -1.26 -4.94 117.00 118.39 1yxy n LEU 70 Ca 0.21 1.04 -0.39 0.00 -0.03 0.00 0.00 56.01 56.84 1yxy n LEU 70 Cb 0.61 -1.59 -0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1yxy n LEU 70 CO 0.16 -0.38 0.96 -2.16 -1.33 0.00 0.00 177.39 174.65 1yxy s PRO 71 N -2.71 3.96 -0.12 3.23 0.04 -1.26 -4.77 135.00 133.37 1yxy s PRO 71 Ca 0.67 2.16 -0.00 0.00 0.04 0.00 0.00 61.00 63.87 1yxy s PRO 71 Cb -0.43 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1yxy s PRO 71 CO 0.53 -0.50 -0.10 0.42 0.04 0.00 0.00 177.00 177.38 1yxy s ILE 72 N -1.26 3.32 -0.33 0.56 1.01 -1.26 -1.37 121.20 121.88 1yxy s ILE 72 Ca 0.57 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 1yxy s ILE 72 Cb -0.38 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 1yxy s ILE 72 CO 0.49 0.54 0.43 -0.63 0.00 0.00 0.00 174.94 175.77 1yxy s ILE 73 N 0.05 5.10 0.01 2.92 1.01 0.63 -1.86 121.20 129.06 1yxy s ILE 73 Ca -0.03 0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.95 1yxy s ILE 73 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1yxy s ILE 73 CO 0.04 -0.09 -0.09 -0.83 0.00 0.00 0.00 174.94 173.97 1yxy s GLY 74 N 1.72 1.71 0.10 6.18 0.00 0.03 -1.19 107.32 115.87 1yxy s GLY 74 Ca 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1yxy s GLY 74 CO 0.12 -0.92 -0.01 -0.26 0.00 0.00 0.00 173.10 172.03 1yxy s ILE 75 N -0.97 0.38 -0.18 0.90 -4.36 -0.66 -1.62 121.20 114.69 1yxy s ILE 75 Ca 0.16 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1yxy s ILE 75 Cb -0.11 -1.80 0.05 0.00 1.25 0.00 0.00 42.46 41.85 1yxy s ILE 75 CO 0.07 -0.74 -0.03 -0.63 0.24 0.00 0.00 174.94 173.85 1yxy s ILE 76 N -3.84 1.06 -0.31 8.37 1.01 -1.26 -1.13 121.20 125.10 1yxy s ILE 76 Ca 0.16 -0.71 -0.25 0.00 0.00 0.00 0.00 60.65 59.85 1yxy s ILE 76 Cb 0.07 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1yxy s ILE 76 CO -0.03 0.02 0.87 -0.54 0.00 0.00 0.00 174.94 175.26 1yxy s LYS 77 N 1.64 3.98 -0.22 2.79 1.02 -1.26 -0.72 119.74 126.97 1yxy s LYS 77 Ca -0.01 0.70 -0.12 0.00 0.02 0.00 0.00 55.97 56.56 1yxy s LYS 77 Cb -0.16 -3.74 0.07 0.00 -0.52 0.00 0.00 37.83 33.48 1yxy s LYS 77 CO -0.07 -0.75 0.53 0.21 -0.92 0.00 0.00 175.35 174.34 1yxy s LYS 78 N 3.15 0.52 0.27 1.68 2.20 0.17 -5.00 119.74 122.74 1yxy s LYS 78 Ca 0.36 0.99 -0.29 0.00 -0.36 0.00 0.00 55.97 56.66 1yxy s LYS 78 Cb -0.14 0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.16 1yxy s LYS 78 CO 0.13 -0.16 1.15 -0.51 -0.36 0.00 0.00 175.35 175.61 1yxy s ASP 79 N 1.55 7.16 -0.55 1.43 1.01 -1.26 -4.43 116.67 121.58 1yxy s ASP 79 Ca -0.09 2.33 0.05 0.00 0.71 0.00 0.00 52.55 55.54 1yxy s ASP 79 Cb -0.07 -2.63 0.19 0.00 1.01 0.00 0.00 42.92 41.42 1yxy s ASP 79 CO -0.16 -0.24 0.46 -1.22 0.21 0.00 0.00 175.17 174.22 1yxy n TYR 80 N 1.36 1.30 -1.52 4.23 4.02 -1.26 -5.08 117.16 120.21 1yxy n TYR 80 Ca -0.00 -3.83 -0.33 0.00 -0.01 0.00 0.00 57.90 53.73 1yxy n TYR 80 Cb 0.44 -0.24 0.08 0.00 -0.02 0.00 0.00 39.34 39.60 1yxy n TYR 80 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1yxy s PRO 81 N -0.95 2.39 0.00 -0.72 0.04 -1.26 -2.84 135.00 131.67 1yxy s PRO 81 Ca 0.31 1.50 0.30 0.00 0.04 0.00 0.00 61.00 63.14 1yxy s PRO 81 Cb 0.03 -1.89 1.38 0.00 0.04 0.00 0.00 34.50 34.06 1yxy s PRO 81 CO -0.16 -1.59 1.97 -0.35 0.04 0.00 0.00 177.00 176.92 1yxy n PRO 82 N -2.77 0.38 -1.24 0.56 -0.04 -1.26 -5.05 135.00 125.59 1yxy n PRO 82 Ca 0.11 -0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.22 1yxy n PRO 82 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.57 1yxy n PRO 82 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1yxy s GLN 83 N -2.65 2.11 -0.05 0.54 1.11 -1.13 -5.01 119.66 114.58 1yxy s GLN 83 Ca 0.25 1.13 -0.16 0.00 0.01 0.00 0.00 55.36 56.59 1yxy s GLN 83 Cb 0.20 -1.88 -0.31 0.00 -1.01 0.00 0.00 33.01 30.01 1yxy s GLN 83 CO 0.49 -1.74 0.74 0.93 0.01 0.00 0.00 175.29 175.72 1yxy h GLU 84 N -1.20 0.34 -6.82 2.91 4.39 -1.83 -3.42 114.58 108.97 1yxy h GLU 84 Ca -0.44 -0.59 -0.56 0.00 0.34 0.00 0.00 59.36 58.10 1yxy h GLU 84 Cb 1.24 0.22 0.13 0.00 -0.10 0.00 0.00 28.75 30.23 1yxy h GLU 84 CO 0.52 1.28 0.46 -2.30 -1.16 0.00 0.00 179.01 177.81 1yxy n PRO 85 N -3.86 1.85 0.00 2.33 -0.02 -1.26 -4.91 135.00 129.13 1yxy n PRO 85 Ca -0.21 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1yxy n PRO 85 Cb 0.96 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1yxy n PRO 85 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1yxy n PHE 86 N -0.28 0.00 -2.83 6.00 1.16 -1.26 -4.14 117.46 116.12 1yxy n PHE 86 Ca 0.07 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.22 1yxy n PHE 86 Cb 0.40 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.23 1yxy n PHE 86 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1yxy s ILE 87 N -0.02 4.36 -1.12 1.97 1.01 -1.26 -0.66 121.20 125.48 1yxy s ILE 87 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 1yxy s ILE 87 Cb 0.00 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1yxy s ILE 87 CO 0.00 -1.17 0.77 0.41 0.00 0.00 0.00 174.94 174.95 1yxy n THR 88 N 6.18 -5.41 0.11 2.92 -1.04 0.10 -0.91 114.28 116.22 1yxy n THR 88 Ca 0.01 -0.85 -0.04 0.00 -2.04 0.00 0.00 64.05 61.13 1yxy n THR 88 Cb 0.47 -4.05 0.08 0.00 -1.82 0.00 0.00 70.33 65.01 1yxy n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yxy h ALA 89 N 0.96 0.77 -2.21 2.41 0.00 -1.78 -3.39 119.26 116.02 1yxy h ALA 89 Ca -0.65 -0.64 -0.40 0.00 0.00 0.00 0.00 54.91 53.22 1yxy h ALA 89 Cb 1.36 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1yxy h ALA 89 CO 0.48 0.87 -0.61 0.95 0.00 0.00 0.00 179.25 180.94 1yxy s THR 90 N -3.42 0.74 0.56 0.00 -4.23 -1.26 -4.87 115.64 103.16 1yxy s THR 90 Ca -0.02 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.73 1yxy s THR 90 Cb 0.12 -2.67 0.32 0.00 1.34 0.00 0.00 72.50 71.61 1yxy s THR 90 CO 0.79 0.00 2.17 -0.03 -0.54 0.00 0.00 174.62 177.01 1yxy h MET 91 N 2.27 0.00 -0.57 3.99 4.05 -1.99 -2.03 114.93 120.65 1yxy h MET 91 Ca -0.39 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.09 1yxy h MET 91 Cb 1.25 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.00 1yxy h MET 91 CO 0.63 0.00 0.30 1.15 0.23 0.00 0.00 176.91 179.22 1yxy h THR 92 N 0.00 0.95 -0.34 -0.77 2.02 -1.98 0.26 112.91 113.05 1yxy h THR 92 Ca 0.03 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 1yxy h THR 92 Cb 0.13 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1yxy h THR 92 CO -0.00 0.10 -0.20 -0.33 0.37 0.00 0.00 175.52 175.46 1yxy h GLU 93 N 0.57 0.73 -0.41 6.66 3.07 -1.75 -2.60 114.58 120.85 1yxy h GLU 93 Ca 0.26 -0.34 0.06 0.00 -0.50 0.00 0.00 59.36 58.83 1yxy h GLU 93 Cb 0.16 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 1yxy h GLU 93 CO -0.17 0.95 0.11 0.28 -1.40 0.00 0.00 179.01 178.78 1yxy h VAL 94 N 0.50 0.83 -0.39 3.13 2.07 -1.20 -1.41 116.25 119.79 1yxy h VAL 94 Ca 0.07 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1yxy h VAL 94 Cb 0.75 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1yxy h VAL 94 CO 0.06 0.05 0.16 0.44 0.02 0.00 0.00 177.57 178.29 1yxy h ASP 95 N 0.26 0.19 -0.78 0.57 3.32 -0.40 0.15 116.42 119.73 1yxy h ASP 95 Ca 0.20 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1yxy h ASP 95 Cb 0.21 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1yxy h ASP 95 CO -0.23 0.15 0.35 1.56 -1.72 0.00 0.00 179.24 179.35 1yxy h GLN 96 N 0.33 1.14 -0.24 3.56 4.20 -1.20 -2.22 115.11 120.68 1yxy h GLN 96 Ca 0.17 -0.18 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1yxy h GLN 96 Cb 0.13 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1yxy h GLN 96 CO -0.16 0.90 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.34 1yxy h LEU 97 N 1.13 0.71 -1.44 1.46 3.38 -0.79 -2.85 115.31 116.91 1yxy h LEU 97 Ca 0.27 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1yxy h LEU 97 Cb 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1yxy h LEU 97 CO -0.03 1.08 0.41 0.00 0.09 0.00 0.00 178.44 179.98 1yxy h ALA 98 N 0.95 1.65 0.00 1.53 0.00 -0.42 -2.01 119.26 120.96 1yxy h ALA 98 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yxy h ALA 98 Cb 1.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1yxy h ALA 98 CO 0.10 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1yxy n ALA 99 N -2.45 1.77 1.01 0.00 0.00 -0.86 -2.86 120.51 117.11 1yxy n ALA 99 Ca 0.07 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1yxy n ALA 99 Cb 0.12 -1.37 0.41 0.00 0.00 0.00 0.00 19.45 18.61 1yxy n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yxy n LEU 100 N -2.03 0.30 -3.49 0.00 4.77 -0.75 -4.96 117.00 110.83 1yxy n LEU 100 Ca 0.03 0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 1yxy n LEU 100 Cb 0.24 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1yxy n LEU 100 CO 0.20 0.07 0.01 -3.20 -1.33 0.00 0.00 177.39 173.14 1yxy n ASN 101 N -1.48 -3.72 -4.76 -1.43 5.15 -1.14 -5.01 115.26 102.87 1yxy n ASN 101 Ca 0.06 -0.77 -0.23 0.00 -0.60 0.00 0.00 54.58 53.05 1yxy n ASN 101 Cb 0.34 -4.58 -0.06 0.00 -0.53 0.00 0.00 39.78 34.95 1yxy n ASN 101 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1yxy s ILE 102 N -3.48 4.14 0.16 -1.44 -4.36 -1.26 -4.72 121.20 110.24 1yxy s ILE 102 Ca 0.22 -1.48 -0.13 0.00 -0.26 0.00 0.00 60.65 59.00 1yxy s ILE 102 Cb -0.04 -3.20 0.04 0.00 1.25 0.00 0.00 42.46 40.51 1yxy s ILE 102 CO 0.78 -0.30 1.69 0.00 0.24 0.00 0.00 174.94 177.34 1yxy h ALA 103 N 1.84 0.69 -3.61 2.27 0.00 -1.92 -3.44 119.26 115.10 1yxy h ALA 103 Ca -0.47 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 53.94 1yxy h ALA 103 Cb 1.23 -0.20 -0.32 0.00 0.00 0.00 0.00 17.79 18.50 1yxy h ALA 103 CO 0.61 0.35 -0.74 0.08 0.00 0.00 0.00 179.25 179.55 1yxy s VAL 104 N -5.41 0.11 -0.26 0.00 1.01 -0.78 -3.96 120.40 111.11 1yxy s VAL 104 Ca -0.13 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1yxy s VAL 104 Cb 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.27 1yxy s VAL 104 CO 0.79 0.09 0.17 -0.63 0.00 0.00 0.00 175.10 175.53 1yxy s ILE 105 N 0.66 5.29 0.01 2.22 1.01 -0.82 -0.79 121.20 128.78 1yxy s ILE 105 Ca -0.06 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1yxy s ILE 105 Cb -0.09 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1yxy s ILE 105 CO -0.01 0.30 0.17 0.00 0.00 0.00 0.00 174.94 175.40 1yxy s ALA 106 N 1.44 3.92 -0.03 9.38 0.00 -0.64 -0.61 121.76 135.22 1yxy s ALA 106 Ca 0.07 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 1yxy s ALA 106 Cb -0.15 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.19 1yxy s ALA 106 CO 0.08 0.76 0.44 0.00 0.00 0.00 0.00 175.76 177.04 1yxy s MET 107 N -2.06 0.80 -0.03 0.00 0.23 -0.65 -4.60 119.30 112.99 1yxy s MET 107 Ca 0.29 -0.02 -0.29 0.00 -1.03 0.00 0.00 55.69 54.63 1yxy s MET 107 Cb -0.13 0.37 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 1yxy s MET 107 CO 0.20 -0.23 2.03 0.34 -2.03 0.00 0.00 175.02 175.33 1yxy s ASP 108 N -1.25 6.19 -0.23 -1.18 -1.08 -0.09 -0.83 116.67 118.20 1yxy s ASP 108 Ca -0.12 2.46 0.10 0.00 -0.52 0.00 0.00 52.55 54.47 1yxy s ASP 108 Cb -0.03 -2.53 0.43 0.00 -1.46 0.00 0.00 42.92 39.34 1yxy s ASP 108 CO 0.06 -1.29 1.21 0.00 0.52 0.00 0.00 175.17 175.67 1yxy s THR 110 N -3.61 2.33 -1.88 0.00 -4.23 -1.25 -4.83 115.64 102.17 1yxy s THR 110 Ca 0.42 0.11 0.28 0.00 -1.18 0.00 0.00 61.69 61.32 1yxy s THR 110 Cb 0.38 -2.70 0.73 0.00 1.34 0.00 0.00 72.50 72.26 1yxy s THR 110 CO -0.04 -0.14 2.01 2.29 -0.54 0.00 0.00 174.62 178.20 1yxy n LYS 111 N -3.90 0.78 -2.15 3.99 2.85 -1.26 -4.81 118.16 113.66 1yxy n LYS 111 Ca 0.06 0.01 -0.35 0.00 -1.05 0.00 0.00 58.31 56.98 1yxy n LYS 111 Cb 0.57 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.46 1yxy n LYS 111 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1yxy s ARG 112 N -2.12 3.22 0.17 -1.58 0.52 -1.26 -4.93 118.95 112.96 1yxy s ARG 112 Ca 0.39 1.60 -0.34 0.00 -0.52 0.00 0.00 55.73 56.86 1yxy s ARG 112 Cb 0.19 -1.99 -0.15 0.00 0.52 0.00 0.00 34.95 33.53 1yxy s ARG 112 CO 0.34 -0.95 1.42 -0.25 0.02 0.00 0.00 175.30 175.88 1yxy n ASP 113 N -1.52 2.43 -4.88 0.23 8.00 -1.26 -4.95 116.55 114.60 1yxy n ASP 113 Ca 0.12 1.12 -0.35 0.00 0.71 0.00 0.00 54.79 56.38 1yxy n ASP 113 Cb 0.51 -1.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.21 1yxy n ASP 113 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1yxy s ARG 114 N 0.28 3.56 0.38 -1.24 0.52 -1.26 -4.32 118.95 116.88 1yxy s ARG 114 Ca 0.76 -0.09 0.08 0.00 -0.52 0.00 0.00 55.73 55.97 1yxy s ARG 114 Cb -0.76 -3.10 0.83 0.00 0.52 0.00 0.00 34.95 32.44 1yxy s ARG 114 CO 0.45 0.67 1.96 1.25 0.02 0.00 0.00 175.30 179.65 1yxy h HIS 115 N 4.10 0.67 -0.00 -0.53 -0.00 -1.89 -1.64 115.15 115.86 1yxy h HIS 115 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1yxy h HIS 115 Cb 1.20 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 1yxy h HIS 115 CO 0.69 0.34 -0.02 -0.40 -0.00 0.00 0.00 177.93 178.54 1yxy n ASP 116 N -4.48 0.28 0.00 3.26 5.68 -1.26 -4.92 116.55 115.11 1yxy n ASP 116 Ca 0.11 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 1yxy n ASP 116 Cb 0.28 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1yxy n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yxy n GLY 117 N 1.13 1.05 3.82 6.12 0.00 -0.62 -5.01 105.19 111.67 1yxy n GLY 117 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1yxy n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yxy s LEU 118 N 0.00 3.81 0.51 0.99 1.43 -1.26 -4.94 118.68 119.22 1yxy s LEU 118 Ca 0.00 1.69 -0.19 0.00 -1.03 0.00 0.00 54.13 54.60 1yxy s LEU 118 Cb 0.00 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.61 1yxy s LEU 118 CO 0.00 -0.52 1.03 1.51 0.23 0.00 0.00 176.35 178.60 1yxy s ASP 119 N -2.45 6.28 0.25 2.29 -4.77 -1.26 -4.47 116.67 112.54 1yxy s ASP 119 Ca 0.62 1.84 -0.06 0.00 -3.30 0.00 0.00 52.55 51.66 1yxy s ASP 119 Cb -0.10 -2.55 0.28 0.00 -1.09 0.00 0.00 42.92 39.46 1yxy s ASP 119 CO 0.20 -0.83 1.93 -0.29 0.70 0.00 0.00 175.17 176.89 1yxy h ILE 120 N 1.24 1.25 -0.99 2.11 6.09 -1.92 -2.17 117.51 123.12 1yxy h ILE 120 Ca -0.48 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 1yxy h ILE 120 Cb 1.21 -0.21 -0.05 0.00 0.47 0.00 0.00 36.82 38.24 1yxy h ILE 120 CO 0.59 0.25 0.64 0.00 -3.07 0.00 0.00 178.15 176.55 1yxy h ALA 121 N 1.38 1.25 -0.64 0.18 0.00 -1.93 -0.70 119.26 118.80 1yxy h ALA 121 Ca 0.37 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1yxy h ALA 121 Cb -0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.21 1yxy h ALA 121 CO -0.08 0.67 0.18 0.77 0.00 0.00 0.00 179.25 180.78 1yxy h SER 122 N 1.35 0.95 -0.34 0.00 0.02 -1.80 -1.34 113.55 112.38 1yxy h SER 122 Ca 0.36 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1yxy h SER 122 Cb -0.12 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.15 1yxy h SER 122 CO -0.07 0.92 0.10 0.15 -1.14 0.00 0.00 176.83 176.79 1yxy h PHE 123 N 0.93 0.56 -0.40 3.45 3.57 -0.96 0.02 116.94 124.10 1yxy h PHE 123 Ca 0.20 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1yxy h PHE 123 Cb 0.32 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1yxy h PHE 123 CO 0.02 0.55 0.17 0.82 -2.23 0.00 0.00 178.31 177.65 1yxy h ILE 124 N 0.40 0.93 -0.89 1.41 2.04 -0.99 -0.19 117.51 120.22 1yxy h ILE 124 Ca 0.11 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1yxy h ILE 124 Cb 0.26 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1yxy h ILE 124 CO -0.00 0.06 0.52 0.03 0.00 0.00 0.00 178.15 178.76 1yxy h ARG 125 N 0.35 1.21 -0.47 2.37 3.08 -1.08 -1.08 114.38 118.77 1yxy h ARG 125 Ca 0.18 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1yxy h ARG 125 Cb 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1yxy h ARG 125 CO -0.15 0.86 0.26 1.96 -1.07 0.00 0.00 179.97 181.83 1yxy h GLN 126 N 1.23 0.65 -0.40 0.04 4.20 -0.27 0.37 115.11 120.92 1yxy h GLN 126 Ca 0.32 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1yxy h GLN 126 Cb -0.02 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1yxy h GLN 126 CO -0.06 0.50 0.09 0.28 -0.67 0.00 0.00 178.83 178.97 1yxy h VAL 127 N 0.62 1.23 -0.54 -0.54 2.07 -0.73 -1.37 116.25 116.98 1yxy h VAL 127 Ca 0.17 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1yxy h VAL 127 Cb 0.04 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1yxy h VAL 127 CO -0.03 0.28 0.11 0.11 0.02 0.00 0.00 177.57 178.06 1yxy h LYS 128 N 0.51 0.84 -0.53 1.57 1.79 -1.05 0.16 116.57 119.87 1yxy h LYS 128 Ca 0.12 -0.18 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 1yxy h LYS 128 Cb 0.33 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1yxy h LYS 128 CO 0.00 0.77 -0.12 1.49 -1.08 0.00 0.00 179.45 180.52 1yxy h GLU 129 N 0.81 1.00 -0.04 3.15 4.57 -0.76 -2.20 114.58 121.10 1yxy h GLU 129 Ca 0.17 -0.37 -0.24 0.00 -1.18 0.00 0.00 59.36 57.75 1yxy h GLU 129 Cb 0.33 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1yxy h GLU 129 CO 0.00 1.05 -0.90 -0.22 -1.18 0.00 0.00 179.01 177.77 1yxy h LYS 130 N 0.89 0.68 -2.19 1.92 3.64 -0.89 -3.38 116.57 117.25 1yxy h LYS 130 Ca 0.14 -0.68 -0.59 0.00 -1.27 0.00 0.00 60.65 58.25 1yxy h LYS 130 Cb 0.68 0.18 -0.41 0.00 -0.41 0.00 0.00 32.23 32.27 1yxy h LYS 130 CO 0.05 1.27 -0.77 0.66 -2.27 0.00 0.00 179.45 178.39 1yxy n TYR 131 N -3.94 2.20 0.24 1.91 4.01 0.54 -4.96 117.16 117.15 1yxy n TYR 131 Ca -0.10 -3.95 0.16 0.00 -0.16 0.00 0.00 57.90 53.85 1yxy n TYR 131 Cb 0.81 -0.47 0.85 0.00 -0.31 0.00 0.00 39.34 40.22 1yxy n TYR 131 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1yxy h PRO 132 N 4.23 0.00 -0.08 -0.72 0.13 -1.58 -2.18 132.00 131.81 1yxy h PRO 132 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1yxy h PRO 132 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1yxy h PRO 132 CO 0.70 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 1yxy n ASN 133 N -3.85 1.52 -4.61 1.44 3.02 -1.26 -4.86 115.26 106.67 1yxy n ASN 133 Ca -0.00 -1.57 -0.37 0.00 -0.03 0.00 0.00 54.58 52.60 1yxy n ASN 133 Cb 0.23 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.25 1yxy n ASN 133 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1yxy s GLN 134 N -1.91 3.97 0.30 3.52 2.00 -0.82 -4.97 119.66 121.75 1yxy s GLN 134 Ca 0.36 -0.31 -0.29 0.00 -2.00 0.00 0.00 55.36 53.11 1yxy s GLN 134 Cb 0.19 -3.58 -0.10 0.00 0.80 0.00 0.00 33.01 30.33 1yxy s GLN 134 CO 0.31 -0.08 1.15 -0.51 -0.50 0.00 0.00 175.29 175.66 1yxy s LEU 135 N 1.45 4.50 0.05 3.68 1.43 -1.25 -4.98 118.68 123.56 1yxy s LEU 135 Ca 0.07 2.37 0.07 0.00 -1.03 0.00 0.00 54.13 55.61 1yxy s LEU 135 Cb -0.15 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 1yxy s LEU 135 CO 0.08 -0.26 -0.20 -0.76 0.23 0.00 0.00 176.35 175.44 1yxy s LEU 136 N -1.60 2.20 -0.08 1.79 1.43 -1.26 -1.94 118.68 119.23 1yxy s LEU 136 Ca 0.46 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1yxy s LEU 136 Cb -0.34 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 1yxy s LEU 136 CO 0.43 0.11 -0.23 -0.32 0.23 0.00 0.00 176.35 176.58 1yxy s MET 137 N -1.33 2.63 -0.38 1.70 -2.45 0.23 -1.56 119.30 118.14 1yxy s MET 137 Ca 0.06 -0.82 -0.16 0.00 -1.25 0.00 0.00 55.69 53.52 1yxy s MET 137 Cb -0.09 -2.09 0.00 0.00 1.25 0.00 0.00 34.83 33.90 1yxy s MET 137 CO 0.02 0.24 0.41 0.00 1.05 0.00 0.00 175.02 176.74 1yxy s ALA 138 N 0.17 3.46 -0.44 4.11 0.00 0.29 -1.63 121.76 127.72 1yxy s ALA 138 Ca -0.12 -1.34 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1yxy s ALA 138 Cb -0.16 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.04 1yxy s ALA 138 CO 0.06 -1.33 1.10 -0.51 0.00 0.00 0.00 175.76 175.07 1yxy s ASP 139 N 1.77 6.69 0.40 0.00 1.01 -0.01 -0.12 116.67 126.41 1yxy s ASP 139 Ca 0.12 0.57 0.04 0.00 0.71 0.00 0.00 52.55 53.99 1yxy s ASP 139 Cb -0.17 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1yxy s ASP 139 CO 0.13 -1.14 0.07 0.27 0.21 0.00 0.00 175.17 174.71 1yxy s ILE 140 N 4.18 1.03 0.00 0.77 -5.25 -0.29 -1.09 121.20 120.55 1yxy s ILE 140 Ca 0.46 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 58.12 1yxy s ILE 140 Cb -0.09 -2.52 0.00 0.00 2.95 0.00 0.00 42.46 42.80 1yxy s ILE 140 CO 0.27 0.00 0.00 -1.54 -1.79 0.00 0.00 174.94 171.88 1yxy n SER 141 N -1.06 4.44 -4.35 4.36 3.41 -1.26 -1.87 113.62 117.29 1yxy n SER 141 Ca -0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.36 1yxy n SER 141 Cb 0.66 0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 65.19 1yxy n SER 141 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1yxy s THR 142 N -1.83 1.23 0.13 6.66 -4.23 -1.26 -4.28 115.64 112.06 1yxy s THR 142 Ca 0.00 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.26 1yxy s THR 142 Cb 0.00 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1yxy s THR 142 CO 0.00 -0.37 1.77 0.15 -0.54 0.00 0.00 174.62 175.63 1yxy h PHE 143 N 2.46 0.24 -0.83 3.99 3.57 -1.98 -2.32 116.94 122.06 1yxy h PHE 143 Ca -0.39 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1yxy h PHE 143 Cb 1.22 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1yxy h PHE 143 CO 0.62 0.14 0.51 0.22 -2.23 0.00 0.00 178.31 177.56 1yxy h ASP 144 N 0.27 0.98 -0.97 0.41 3.58 -1.99 -1.52 116.42 117.18 1yxy h ASP 144 Ca 0.10 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1yxy h ASP 144 Cb 0.01 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 40.77 1yxy h ASP 144 CO -0.06 0.75 0.60 -0.33 -2.88 0.00 0.00 179.24 177.32 1yxy h GLU 145 N 1.14 1.30 -0.42 0.28 5.08 -1.85 -0.31 114.58 119.80 1yxy h GLU 145 Ca 0.30 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1yxy h GLU 145 Cb -0.06 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.89 1yxy h GLU 145 CO -0.06 0.90 0.21 0.78 -1.00 0.00 0.00 179.01 179.84 1yxy h GLY 146 N 1.33 0.64 0.96 -3.84 0.00 -0.83 -1.46 103.07 99.88 1yxy h GLY 146 Ca 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1yxy h GLY 146 CO -0.07 0.29 0.17 1.41 0.00 0.00 0.00 176.54 178.35 1yxy h LEU 147 N 0.54 0.37 -0.50 3.11 3.38 -0.88 -0.74 115.31 120.59 1yxy h LEU 147 Ca 0.14 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1yxy h LEU 147 Cb 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1yxy h LEU 147 CO -0.02 0.34 0.33 0.58 0.09 0.00 0.00 178.44 179.76 1yxy h VAL 148 N 0.38 1.13 -0.57 1.22 2.07 -0.98 -0.68 116.25 118.82 1yxy h VAL 148 Ca 0.11 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1yxy h VAL 148 Cb 0.04 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1yxy h VAL 148 CO -0.02 0.12 0.02 0.00 0.02 0.00 0.00 177.57 177.72 1yxy h ALA 149 N 1.18 0.76 -0.23 1.67 0.00 -1.10 -2.02 119.26 119.53 1yxy h ALA 149 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1yxy h ALA 149 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1yxy h ALA 149 CO -0.04 0.57 0.10 1.25 0.00 0.00 0.00 179.25 181.14 1yxy h HIS 150 N 0.88 0.33 0.00 0.00 6.17 -0.91 -1.87 115.15 119.75 1yxy h HIS 150 Ca 0.16 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.19 1yxy h HIS 150 Cb 0.52 -0.10 -0.00 0.00 2.52 0.00 0.00 27.41 30.34 1yxy h HIS 150 CO 0.04 0.34 -0.15 1.96 0.71 0.00 0.00 177.93 180.83 1yxy h GLN 151 N 0.22 0.00 0.00 5.26 1.08 -1.01 -1.48 115.11 119.19 1yxy h GLN 151 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1yxy h GLN 151 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1yxy h GLN 151 CO -0.01 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 178.02 1yxy n ALA 152 N -2.34 2.29 0.00 3.87 0.00 -0.77 -4.92 120.51 118.64 1yxy n ALA 152 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1yxy n ALA 152 Cb 0.25 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1yxy n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yxy n GLY 153 N 1.41 1.26 3.75 0.00 0.00 -0.56 -4.29 105.19 106.76 1yxy n GLY 153 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1yxy n GLY 153 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yxy s ILE 154 N -2.00 2.27 -0.02 -0.61 1.10 -0.73 -4.96 121.20 116.27 1yxy s ILE 154 Ca 0.00 0.20 -0.09 0.00 -0.51 0.00 0.00 60.65 60.25 1yxy s ILE 154 Cb 0.00 -3.10 -0.31 0.00 0.15 0.00 0.00 42.46 39.21 1yxy s ILE 154 CO 0.00 -0.01 0.79 0.44 -2.11 0.00 0.00 174.94 174.05 1yxy h ASP 155 N 1.37 0.59 -4.36 4.50 3.32 -1.76 -3.44 116.42 116.65 1yxy h ASP 155 Ca -0.51 -0.80 -0.39 0.00 0.02 0.00 0.00 57.03 55.36 1yxy h ASP 155 Cb 1.30 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 40.41 1yxy h ASP 155 CO 0.57 1.66 -0.77 -0.36 -1.72 0.00 0.00 179.24 178.62 1yxy s PHE 156 N -2.60 0.99 -0.16 4.55 0.08 -0.60 -4.61 117.98 115.63 1yxy s PHE 156 Ca -0.12 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 1yxy s PHE 156 Cb 0.06 -0.59 -0.01 0.00 -0.57 0.00 0.00 43.02 41.91 1yxy s PHE 156 CO 0.87 0.00 -0.13 0.08 -0.10 0.00 0.00 175.22 175.95 1yxy s VAL 157 N -0.85 2.89 0.10 -0.44 1.01 -0.43 -0.54 120.40 122.14 1yxy s VAL 157 Ca -0.01 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1yxy s VAL 157 Cb -0.07 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1yxy s VAL 157 CO 0.01 0.50 -0.12 -0.83 0.00 0.00 0.00 175.10 174.66 1yxy s GLY 158 N 0.85 1.77 -0.14 4.51 0.00 0.82 -0.91 107.32 114.22 1yxy s GLY 158 Ca -0.04 -1.26 0.16 0.00 0.00 0.00 0.00 44.72 43.59 1yxy s GLY 158 CO -0.00 -1.23 1.63 -1.30 0.00 0.00 0.00 173.10 172.20 1yxy n THR 159 N 0.78 2.03 0.19 0.90 -2.24 -1.20 -1.13 114.28 113.60 1yxy n THR 159 Ca -0.14 -1.20 0.15 0.00 -2.27 0.00 0.00 64.05 60.59 1yxy n THR 159 Cb 0.52 -0.01 0.76 0.00 -2.10 0.00 0.00 70.33 69.50 1yxy n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yxy h THR 160 N 3.95 0.69 -0.02 4.28 1.03 -1.55 -1.92 112.91 119.36 1yxy h THR 160 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1yxy h THR 160 Cb 1.57 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 1yxy h THR 160 CO 0.30 0.00 -0.04 0.18 -0.01 0.00 0.00 175.52 175.96 1yxy n LEU 161 N -4.14 2.08 -4.68 0.00 4.77 -0.78 -4.73 117.00 109.51 1yxy n LEU 161 Ca 0.01 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 54.88 1yxy n LEU 161 Cb 0.28 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1yxy n LEU 161 CO 0.31 0.35 1.43 -0.55 -1.33 0.00 0.00 177.39 177.60 1yxy s SER 162 N -2.05 6.55 0.00 -1.43 0.15 -0.72 -0.74 113.70 115.45 1yxy s SER 162 Ca 0.33 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.50 1yxy s SER 162 Cb 0.20 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1yxy s SER 162 CO 0.34 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1yxy n GLY 163 N 4.20 0.73 0.16 9.45 0.00 -1.08 -4.89 105.19 113.75 1yxy n GLY 163 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1yxy n GLY 163 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yxy n TYR 164 N -2.00 0.12 -4.25 1.61 4.01 0.08 -4.90 117.16 111.82 1yxy n TYR 164 Ca 0.00 -0.72 -0.21 0.00 -0.16 0.00 0.00 57.90 56.82 1yxy n TYR 164 Cb 0.00 -0.11 -0.12 0.00 -0.31 0.00 0.00 39.34 38.80 1yxy n TYR 164 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1yxy s THR 165 N -1.84 1.35 0.51 -0.72 -4.23 -1.20 -5.06 115.64 104.45 1yxy s THR 165 Ca 0.17 -1.36 0.22 0.00 -1.18 0.00 0.00 61.69 59.55 1yxy s THR 165 Cb 0.14 -1.25 0.28 0.00 1.34 0.00 0.00 72.50 73.02 1yxy s THR 165 CO 0.03 -0.13 2.14 -0.65 -0.54 0.00 0.00 174.62 175.48 1yxy h PRO 166 N 4.30 0.00 -0.02 3.99 0.11 -1.95 -2.92 132.00 135.51 1yxy h PRO 166 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1yxy h PRO 166 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1yxy h PRO 166 CO 0.40 0.05 -0.37 2.48 -0.21 0.00 0.00 178.00 180.36 1yxy n TYR 167 N -4.13 0.00 -2.58 0.65 0.18 -1.26 -4.94 117.16 105.07 1yxy n TYR 167 Ca -0.03 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.52 1yxy n TYR 167 Cb 0.14 -0.03 0.09 0.00 -0.38 0.00 0.00 39.34 39.17 1yxy n TYR 167 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1yxy s SER 168 N -2.42 4.51 -0.03 9.48 1.04 -1.10 -5.01 113.70 120.16 1yxy s SER 168 Ca 0.21 -0.27 -0.32 0.00 0.48 0.00 0.00 55.95 56.05 1yxy s SER 168 Cb 0.19 -0.20 -0.10 0.00 0.10 0.00 0.00 66.02 66.01 1yxy s SER 168 CO 0.53 -1.74 1.95 -1.14 0.98 0.00 0.00 173.24 173.82 1yxy n ARG 169 N -2.76 2.53 0.12 4.02 0.63 -1.26 -4.71 116.66 115.23 1yxy n ARG 169 Ca 0.14 0.92 0.09 0.00 -0.92 0.00 0.00 57.85 58.08 1yxy n ARG 169 Cb 0.60 -2.86 0.03 0.00 0.45 0.00 0.00 32.46 30.68 1yxy n ARG 169 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1yxy h GLN 170 N 10.21 0.00 -6.88 -0.14 1.08 -1.91 -2.85 115.11 114.61 1yxy h GLN 170 Ca -0.49 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.15 1yxy h GLN 170 Cb 1.25 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.84 1yxy h GLN 170 CO 0.95 0.08 0.30 0.39 -0.95 0.00 0.00 178.83 179.59 1yxy n GLU 171 N -2.84 1.23 -1.27 1.46 4.71 -1.26 -4.95 120.64 117.71 1yxy n GLU 171 Ca -0.00 0.46 -0.31 0.00 -0.01 0.00 0.00 57.16 57.29 1yxy n GLU 171 Cb 0.60 -2.30 0.09 0.00 -1.01 0.00 0.00 31.44 28.83 1yxy n GLU 171 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1yxy s ALA 172 N -1.40 2.19 0.00 0.62 0.00 -1.26 -4.89 121.76 117.02 1yxy s ALA 172 Ca 0.73 0.36 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1yxy s ALA 172 Cb -0.44 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1yxy s ALA 172 CO 0.49 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.84 1yxy n GLY 173 N -0.92 -0.95 3.76 0.00 0.00 -1.26 -4.96 105.19 100.86 1yxy n GLY 173 Ca 0.10 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1yxy n GLY 173 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yxy s PRO 174 N -2.00 3.49 -1.39 1.61 0.04 -1.20 -4.85 135.00 130.69 1yxy s PRO 174 Ca 0.00 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 1yxy s PRO 174 Cb 0.00 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.30 1yxy s PRO 174 CO 0.00 -0.81 2.02 -3.47 0.04 0.00 0.00 177.00 174.78 1yxy n ASP 175 N -0.78 4.34 0.12 6.66 -0.08 -1.26 -4.75 116.55 120.79 1yxy n ASP 175 Ca 0.09 -2.89 0.02 0.00 -1.51 0.00 0.00 54.79 50.51 1yxy n ASP 175 Cb 0.47 -1.68 0.39 0.00 2.34 0.00 0.00 41.12 42.65 1yxy n ASP 175 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1yxy h VAL 176 N 4.52 1.18 -0.45 5.18 -1.51 -1.97 -1.62 116.25 121.58 1yxy h VAL 176 Ca 0.51 -0.80 -0.04 0.00 -1.23 0.00 0.00 66.70 65.14 1yxy h VAL 176 Cb 0.72 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1yxy h VAL 176 CO 1.71 0.25 0.12 0.00 -1.23 0.00 0.00 177.57 178.42 1yxy h ALA 177 N 1.64 0.59 -0.17 5.19 0.00 -1.99 -0.44 119.26 124.08 1yxy h ALA 177 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1yxy h ALA 177 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1yxy h ALA 177 CO 0.02 0.26 0.05 1.25 0.00 0.00 0.00 179.25 180.83 1yxy h LEU 178 N 0.59 0.25 -0.06 0.00 5.85 -1.88 -1.24 115.31 118.82 1yxy h LEU 178 Ca 0.14 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1yxy h LEU 178 Cb 0.30 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1yxy h LEU 178 CO -0.00 0.40 -0.20 0.40 -0.34 0.00 0.00 178.44 178.70 1yxy h ILE 179 N 0.08 0.51 -0.42 4.05 2.04 -1.22 -1.30 117.51 121.26 1yxy h ILE 179 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1yxy h ILE 179 Cb 0.24 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1yxy h ILE 179 CO -0.00 0.00 0.27 -0.08 0.00 0.00 0.00 178.15 178.34 1yxy h GLU 180 N -0.29 0.54 -0.59 2.37 4.81 -1.04 -1.26 114.58 119.12 1yxy h GLU 180 Ca 0.08 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1yxy h GLU 180 Cb 0.40 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1yxy h GLU 180 CO -0.23 0.36 0.36 0.00 -0.73 0.00 0.00 179.01 178.78 1yxy h ALA 181 N 1.16 0.76 -0.56 2.92 0.00 -1.03 0.33 119.26 122.84 1yxy h ALA 181 Ca 0.16 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1yxy h ALA 181 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1yxy h ALA 181 CO -0.04 0.11 0.08 -0.07 0.00 0.00 0.00 179.25 179.33 1yxy h LEU 182 N 0.72 0.89 -0.19 0.00 3.38 -1.03 -1.67 115.31 117.41 1yxy h LEU 182 Ca 0.23 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1yxy h LEU 182 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1yxy h LEU 182 CO -0.09 0.93 0.06 0.00 0.09 0.00 0.00 178.44 179.43 1yxy h LYS 184 N 0.15 0.52 0.00 0.00 1.57 -0.81 -1.83 116.57 116.17 1yxy h LYS 184 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1yxy h LYS 184 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1yxy h LYS 184 CO -0.09 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 1yxy n ALA 185 N -2.48 1.83 -1.74 3.86 0.00 -0.64 -4.87 120.51 116.47 1yxy n ALA 185 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1yxy n ALA 185 Cb 0.14 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1yxy n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yxy n GLY 186 N 0.09 0.91 3.62 0.00 0.00 -0.69 -5.08 105.19 104.04 1yxy n GLY 186 Ca 0.06 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1yxy n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yxy s ILE 187 N -2.50 3.80 -0.60 -0.61 1.01 -1.05 -5.06 121.20 116.19 1yxy s ILE 187 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.69 1yxy s ILE 187 Cb 0.00 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1yxy s ILE 187 CO 0.00 0.42 1.50 0.00 0.00 0.00 0.00 174.94 176.85 1yxy s ALA 188 N -1.00 2.65 -0.20 9.38 0.00 -1.26 -4.48 121.76 126.86 1yxy s ALA 188 Ca 0.17 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 1yxy s ALA 188 Cb -0.11 -4.18 -0.04 0.00 0.00 0.00 0.00 23.12 18.78 1yxy s ALA 188 CO 0.07 -3.22 0.10 0.08 0.00 0.00 0.00 175.76 172.79 1yxy s VAL 189 N 6.70 5.05 -0.43 0.00 1.01 -1.26 -1.31 120.40 130.15 1yxy s VAL 189 Ca 0.53 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 1yxy s VAL 189 Cb -0.11 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.06 1yxy s VAL 189 CO 0.22 0.43 0.29 -0.63 0.00 0.00 0.00 175.10 175.41 1yxy s ILE 190 N 0.52 4.35 0.08 2.22 1.01 -0.08 -0.19 121.20 129.11 1yxy s ILE 190 Ca 0.05 -1.42 -0.31 0.00 0.00 0.00 0.00 60.65 58.98 1yxy s ILE 190 Cb -0.12 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1yxy s ILE 190 CO 0.00 -0.56 1.41 0.00 0.00 0.00 0.00 174.94 175.80 1yxy s ALA 191 N 1.44 3.60 -0.19 9.38 0.00 -0.28 -3.27 121.76 132.44 1yxy s ALA 191 Ca 0.03 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 1yxy s ALA 191 Cb -0.24 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.37 1yxy s ALA 191 CO 0.02 -0.72 0.50 -2.00 0.00 0.00 0.00 175.76 173.56 1yxy s GLU 192 N 1.54 0.56 0.00 0.00 2.12 -1.26 -0.55 118.70 121.11 1yxy s GLU 192 Ca 0.65 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.74 1yxy s GLU 192 Cb -0.36 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.25 1yxy s GLU 192 CO 0.29 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 1yxy n GLY 193 N 3.19 2.98 2.39 -1.50 0.00 -1.26 -2.36 105.19 108.63 1yxy n GLY 193 Ca -0.16 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 1yxy n GLY 193 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yxy n LYS 194 N 0.18 -1.23 -2.75 1.61 5.02 -1.26 -4.19 118.16 115.55 1yxy n LYS 194 Ca 0.00 0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 56.80 1yxy n LYS 194 Cb 0.00 -5.24 -0.04 0.00 -0.02 0.00 0.00 35.03 29.73 1yxy n LYS 194 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1yxy s ILE 195 N -2.72 4.18 -0.02 -0.18 1.01 -1.26 -3.27 121.20 118.94 1yxy s ILE 195 Ca 0.00 0.20 0.16 0.00 0.00 0.00 0.00 60.65 61.02 1yxy s ILE 195 Cb 0.00 -4.69 -0.25 0.00 0.01 0.00 0.00 42.46 37.53 1yxy s ILE 195 CO 0.00 -1.40 0.36 1.41 0.00 0.00 0.00 174.94 175.30 1yxy n HIS 196 N 8.07 0.00 -4.21 3.97 8.25 -1.26 -4.59 115.22 125.45 1yxy n HIS 196 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 1yxy n HIS 196 Cb 0.47 -0.37 -0.12 0.00 1.12 0.00 0.00 29.99 31.09 1yxy n HIS 196 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1yxy s SER 197 N -3.88 1.81 0.48 0.41 1.04 -1.26 -4.92 113.70 107.38 1yxy s SER 197 Ca -0.06 -0.61 0.19 0.00 0.48 0.00 0.00 55.95 55.94 1yxy s SER 197 Cb 0.10 -0.07 1.19 0.00 0.10 0.00 0.00 66.02 67.35 1yxy s SER 197 CO 0.68 -0.05 1.99 -0.65 0.98 0.00 0.00 173.24 176.19 1yxy h PRO 198 N 4.31 0.21 -0.43 4.02 0.11 -1.99 -2.04 132.00 136.19 1yxy h PRO 198 Ca -0.41 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1yxy h PRO 198 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1yxy h PRO 198 CO 0.40 0.14 0.20 0.93 -0.21 0.00 0.00 178.00 179.46 1yxy h GLU 199 N 0.22 0.63 -0.73 1.05 3.07 -1.99 -0.28 114.58 116.55 1yxy h GLU 199 Ca 0.26 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1yxy h GLU 199 Cb 0.73 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1yxy h GLU 199 CO -0.05 0.56 0.38 0.93 -1.40 0.00 0.00 179.01 179.43 1yxy h GLU 200 N 0.56 1.03 -0.77 2.33 5.08 -1.82 -2.27 114.58 118.73 1yxy h GLU 200 Ca 0.15 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1yxy h GLU 200 Cb 0.15 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1yxy h GLU 200 CO -0.02 0.79 0.39 0.00 -1.00 0.00 0.00 179.01 179.17 1yxy h ALA 201 N 1.19 0.99 -0.36 3.43 0.00 -0.99 -1.49 119.26 122.03 1yxy h ALA 201 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1yxy h ALA 201 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1yxy h ALA 201 CO -0.04 0.54 0.09 -0.22 0.00 0.00 0.00 179.25 179.63 1yxy h LYS 202 N 1.08 0.56 -0.74 0.00 3.64 -0.90 0.77 116.57 120.97 1yxy h LYS 202 Ca 0.27 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1yxy h LYS 202 Cb 0.09 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1yxy h LYS 202 CO -0.04 0.60 0.45 -0.22 -2.27 0.00 0.00 179.45 177.98 1yxy h LYS 203 N 0.42 0.82 -0.26 1.90 3.64 -1.23 -0.82 116.57 121.04 1yxy h LYS 203 Ca 0.11 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1yxy h LYS 203 Cb 0.29 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1yxy h LYS 203 CO -0.00 0.54 -0.23 0.82 -2.27 0.00 0.00 179.45 178.31 1yxy h ILE 204 N 0.84 1.31 -0.49 2.00 2.04 -1.10 -3.02 117.51 119.09 1yxy h ILE 204 Ca 0.32 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.85 1yxy h ILE 204 Cb 0.12 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1yxy h ILE 204 CO -0.15 0.43 0.33 -1.13 0.00 0.00 0.00 178.15 177.62 1yxy h ASN 205 N 0.34 0.42 0.68 1.72 -1.24 -0.46 -1.18 115.58 115.86 1yxy h ASN 205 Ca 0.05 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1yxy h ASN 205 Cb 0.78 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1yxy h ASN 205 CO 0.06 0.28 0.00 0.47 -1.29 0.00 0.00 177.43 176.95 1yxy n ASP 206 N -4.48 0.43 0.07 1.15 8.00 -0.35 -2.73 116.55 118.65 1yxy n ASP 206 Ca 0.06 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.30 1yxy n ASP 206 Cb 0.20 -0.70 0.48 0.00 -0.02 0.00 0.00 41.12 41.08 1yxy n ASP 206 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1yxy n LEU 207 N -1.97 0.53 -0.35 0.64 4.77 -0.45 -4.94 117.00 115.23 1yxy n LEU 207 Ca 0.03 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1yxy n LEU 207 Cb 0.22 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1yxy n LEU 207 CO 0.18 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1yxy n GLY 208 N 1.31 0.94 3.82 -0.72 0.00 -1.11 -4.90 105.19 104.53 1yxy n GLY 208 Ca 0.06 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1yxy n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yxy s VAL 209 N -2.64 4.05 0.21 1.61 -7.23 -1.26 -4.88 120.40 110.26 1yxy s VAL 209 Ca 0.00 0.94 0.15 0.00 -1.81 0.00 0.00 61.98 61.26 1yxy s VAL 209 Cb 0.00 -3.49 0.06 0.00 0.56 0.00 0.00 36.38 33.51 1yxy s VAL 209 CO 0.00 -0.61 1.68 0.00 -0.31 0.00 0.00 175.10 175.86 1yxy h ALA 210 N 0.45 0.99 -2.02 1.32 0.00 -0.92 -3.44 119.26 115.64 1yxy h ALA 210 Ca -0.46 -0.44 0.24 0.00 0.00 0.00 0.00 54.91 54.25 1yxy h ALA 210 Cb 1.21 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1yxy h ALA 210 CO 0.59 0.60 0.65 0.20 0.00 0.00 0.00 179.25 181.28 1yxy s GLY 211 N -4.40 -0.25 -0.03 0.00 0.00 -1.02 -3.68 107.32 97.93 1yxy s GLY 211 Ca -0.00 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1yxy s GLY 211 CO 0.72 0.63 0.01 -0.42 0.00 0.00 0.00 173.10 174.04 1yxy s ILE 212 N -2.76 0.08 -0.21 0.90 1.01 -1.26 -1.12 121.20 117.84 1yxy s ILE 212 Ca 0.15 0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.90 1yxy s ILE 212 Cb 0.01 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 1yxy s ILE 212 CO 0.00 0.13 0.03 -0.69 0.00 0.00 0.00 174.94 174.42 1yxy s VAL 213 N 1.17 4.23 -0.13 2.92 1.01 0.29 -0.02 120.40 129.86 1yxy s VAL 213 Ca -0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1yxy s VAL 213 Cb -0.13 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1yxy s VAL 213 CO -0.02 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 174.67 1yxy s VAL 214 N 1.04 3.08 0.00 2.92 1.01 -0.05 -4.27 120.40 124.13 1yxy s VAL 214 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1yxy s VAL 214 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1yxy s VAL 214 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1yxy n GLY 215 N 3.57 0.55 0.37 4.51 0.00 -1.26 -1.03 105.19 111.90 1yxy n GLY 215 Ca -0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.03 1yxy n GLY 215 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yxy h GLY 216 N 0.00 1.60 2.00 -0.02 0.00 -1.91 -0.23 103.07 104.51 1yxy h GLY 216 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1yxy h GLY 216 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.37 1yxy h ALA 217 N 1.67 1.00 0.00 3.60 0.00 -1.87 -1.32 119.26 122.34 1yxy h ALA 217 Ca 0.61 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.36 1yxy h ALA 217 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1yxy h ALA 217 CO -0.39 0.00 -1.60 -0.89 0.00 0.00 0.00 179.25 176.37 1yxy n ILE 218 N -2.64 0.61 0.17 0.00 5.41 -0.22 -4.87 119.36 117.82 1yxy n ILE 218 Ca -0.02 -0.23 0.03 0.00 1.00 0.00 0.00 62.75 63.54 1yxy n ILE 218 Cb 0.09 -0.91 0.04 0.00 -0.71 0.00 0.00 39.64 38.15 1yxy n ILE 218 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1yxy n THR 219 N -2.84 0.26 -3.91 1.39 -2.24 -0.48 -4.76 114.28 101.70 1yxy n THR 219 Ca -0.19 -0.63 -0.29 0.00 -2.27 0.00 0.00 64.05 60.67 1yxy n THR 219 Cb 0.70 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.77 1yxy n THR 219 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1yxy s ARG 220 N -0.66 2.24 0.45 -0.78 0.52 -0.51 -4.88 118.95 115.33 1yxy s ARG 220 Ca 0.09 -3.03 0.18 0.00 -0.52 0.00 0.00 55.73 52.45 1yxy s ARG 220 Cb 0.06 -3.34 1.14 0.00 0.52 0.00 0.00 34.95 33.33 1yxy s ARG 220 CO 0.08 -1.22 1.93 -1.00 0.02 0.00 0.00 175.30 175.11 1yxy h PRO 221 N 5.84 0.31 -0.22 3.54 0.13 -1.86 -1.16 132.00 138.58 1yxy h PRO 221 Ca 0.06 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.19 1yxy h PRO 221 Cb 0.81 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1yxy h PRO 221 CO 0.70 0.20 0.09 -0.22 -0.23 0.00 0.00 178.00 178.55 1yxy h LYS 222 N 0.32 0.20 -0.46 0.86 3.64 -1.93 0.22 116.57 119.41 1yxy h LYS 222 Ca 0.36 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1yxy h LYS 222 Cb 0.94 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1yxy h LYS 222 CO -0.10 0.13 -0.24 0.93 -2.27 0.00 0.00 179.45 177.91 1yxy h GLU 223 N 0.21 0.97 0.03 1.90 5.08 -1.57 -0.89 114.58 120.31 1yxy h GLU 223 Ca 0.09 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1yxy h GLU 223 Cb 0.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1yxy h GLU 223 CO -0.08 1.10 -0.01 0.82 -1.00 0.00 0.00 179.01 179.83 1yxy h ILE 224 N 0.83 1.02 -0.77 3.13 2.04 -1.25 -2.65 117.51 119.88 1yxy h ILE 224 Ca 0.10 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1yxy h ILE 224 Cb 0.82 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1yxy h ILE 224 CO 0.07 0.04 0.49 0.00 0.00 0.00 0.00 178.15 178.76 1yxy h ALA 225 N 0.86 1.00 -0.93 1.87 0.00 -0.86 -2.21 119.26 118.99 1yxy h ALA 225 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1yxy h ALA 225 Cb 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 1yxy h ALA 225 CO 0.01 0.32 0.56 0.93 0.00 0.00 0.00 179.25 181.06 1yxy h GLU 226 N 0.98 0.86 -0.39 0.00 5.08 -1.01 -0.43 114.58 119.67 1yxy h GLU 226 Ca 0.30 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1yxy h GLU 226 Cb -0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1yxy h GLU 226 CO -0.10 0.57 -0.22 0.00 -1.00 0.00 0.00 179.01 178.26 1yxy h ARG 227 N 0.89 0.78 -0.19 2.33 3.08 -1.05 0.65 114.38 120.87 1yxy h ARG 227 Ca 0.46 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1yxy h ARG 227 Cb 0.46 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1yxy h ARG 227 CO -0.27 0.93 0.11 0.74 -1.07 0.00 0.00 179.97 180.41 1yxy h PHE 228 N 0.68 0.25 -0.64 3.04 0.04 -1.02 -2.85 116.94 116.44 1yxy h PHE 228 Ca 0.09 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 1yxy h PHE 228 Cb 0.73 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 1yxy h PHE 228 CO 0.04 0.21 0.06 0.82 -0.60 0.00 0.00 178.31 178.84 1yxy h ILE 229 N 0.22 1.26 -0.35 -0.55 2.04 -0.86 -2.94 117.51 116.33 1yxy h ILE 229 Ca 0.07 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 1yxy h ILE 229 Cb 0.03 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1yxy h ILE 229 CO -0.01 0.40 -0.01 -0.08 0.00 0.00 0.00 178.15 178.44 1yxy h GLU 230 N 1.00 0.55 0.00 2.37 4.57 -0.85 -2.42 114.58 119.80 1yxy h GLU 230 Ca 0.19 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1yxy h GLU 230 Cb 0.49 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1yxy h GLU 230 CO 0.02 0.59 -0.05 0.00 -1.18 0.00 0.00 179.01 178.39 1yxy h ALA 231 N 1.46 1.12 -0.00 2.92 0.00 -1.31 -1.96 119.26 121.49 1yxy h ALA 231 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1yxy h ALA 231 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1yxy h ALA 231 CO 0.01 0.07 -0.10 1.28 0.00 0.00 0.00 179.25 180.50 1yxy n LEU 232 N -3.33 0.58 -0.86 0.00 4.32 -0.91 -5.14 117.00 111.66 1yxy n LEU 232 Ca -0.01 -0.07 0.12 0.00 -0.02 0.00 0.00 56.01 56.03 1yxy n LEU 232 Cb 0.21 -0.14 0.19 0.00 -1.62 0.00 0.00 43.42 42.05 1yxy n LEU 232 CO 0.26 0.11 0.68 0.29 -1.22 0.00 0.00 177.39 177.51