#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9i s GLN 7 N 0.00 2.55 0.85 1.97 -0.21 -1.26 -5.12 119.66 118.44 1y9i s GLN 7 Ca 0.00 -0.83 -0.11 0.00 0.02 0.00 0.00 55.36 54.44 1y9i s GLN 7 Cb 0.00 -2.25 0.11 0.00 1.00 0.00 0.00 33.01 31.87 1y9i s GLN 7 CO 0.00 0.46 1.10 -1.54 -2.12 0.00 0.00 175.29 173.19 1y9i s SER 8 N -0.34 3.73 0.25 5.90 1.04 -1.26 -4.80 113.70 118.22 1y9i s SER 8 Ca 0.02 1.80 -0.05 0.00 0.48 0.00 0.00 55.95 58.19 1y9i s SER 8 Cb -0.12 -2.43 0.28 0.00 0.10 0.00 0.00 66.02 63.84 1y9i s SER 8 CO 0.02 -2.53 1.89 0.00 0.98 0.00 0.00 173.24 173.61 1y9i h ALA 9 N -1.47 1.24 0.19 5.32 0.00 -2.00 -1.49 119.26 121.05 1y9i h ALA 9 Ca -0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1y9i h ALA 9 Cb 1.26 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1y9i h ALA 9 CO 0.50 0.64 -0.09 1.25 0.00 0.00 0.00 179.25 181.55 1y9i h LEU 10 N 1.23 -0.21 -0.46 0.00 5.85 -1.99 -1.51 115.31 118.21 1y9i h LEU 10 Ca 0.32 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1y9i h LEU 10 Cb -0.02 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1y9i h LEU 10 CO -0.06 -0.12 0.22 -0.08 -0.34 0.00 0.00 178.44 178.07 1y9i h GLU 11 N -0.29 0.66 -0.64 1.25 4.81 -1.87 -1.46 114.58 117.05 1y9i h GLU 11 Ca -0.03 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1y9i h GLU 11 Cb 0.22 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1y9i h GLU 11 CO 0.04 0.56 0.42 1.03 -0.73 0.00 0.00 179.01 180.33 1y9i h SER 12 N 0.60 0.71 -0.47 1.04 0.87 -1.20 -0.82 113.55 114.28 1y9i h SER 12 Ca 0.16 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 1y9i h SER 12 Cb 0.11 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1y9i h SER 12 CO -0.02 0.51 -0.24 0.50 -0.53 0.00 0.00 176.83 177.05 1y9i h LYS 13 N 0.84 0.99 -0.37 2.24 1.63 -1.11 -1.01 116.57 119.79 1y9i h LYS 13 Ca 0.24 -0.44 -0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1y9i h LYS 13 Cb -0.06 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 1y9i h LYS 13 CO -0.07 1.11 0.22 0.00 -3.45 0.00 0.00 179.45 177.26 1y9i h ALA 14 N 0.85 0.47 -0.48 5.00 0.00 -0.97 0.17 119.26 124.31 1y9i h ALA 14 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1y9i h ALA 14 Cb 0.82 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1y9i h ALA 14 CO 0.07 -0.03 0.20 0.00 0.00 0.00 0.00 179.25 179.50 1y9i h ARG 15 N 0.48 0.72 -0.08 0.00 3.08 -1.02 -2.48 114.38 115.08 1y9i h ARG 15 Ca 0.13 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1y9i h ARG 15 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1y9i h ARG 15 CO -0.02 0.64 -0.61 0.66 -1.07 0.00 0.00 179.97 179.57 1y9i h SER 16 N 0.64 0.33 0.04 7.04 4.64 -1.00 -2.98 113.55 122.26 1y9i h SER 16 Ca 0.16 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 1y9i h SER 16 Cb 0.18 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1y9i h SER 16 CO -0.01 0.86 -0.49 -0.25 -0.87 0.00 0.00 176.83 176.06 1y9i h TRP 17 N 0.21 0.63 -0.20 4.77 2.91 -0.91 -0.05 115.95 123.31 1y9i h TRP 17 Ca -0.01 -0.20 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1y9i h TRP 17 Cb 1.12 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1y9i h TRP 17 CO 0.03 0.90 0.13 -0.07 -1.03 0.00 0.00 178.44 178.40 1y9i h LEU 18 N 0.41 0.24 -0.37 0.65 3.38 -1.40 -0.02 115.31 118.19 1y9i h LEU 18 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1y9i h LEU 18 Cb 1.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1y9i h LEU 18 CO 0.09 0.20 0.18 0.40 0.09 0.00 0.00 178.44 179.40 1y9i h ILE 19 N 0.26 1.17 -0.10 1.22 2.04 -1.36 -1.04 117.51 119.70 1y9i h ILE 19 Ca 0.07 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1y9i h ILE 19 Cb -0.00 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1y9i h ILE 19 CO -0.01 0.18 0.04 -0.08 0.00 0.00 0.00 178.15 178.28 1y9i h GLU 20 N 0.47 0.13 -0.00 2.37 4.81 -0.68 -0.65 114.58 121.02 1y9i h GLU 20 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1y9i h GLU 20 Cb 0.13 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1y9i h GLU 20 CO -0.02 0.10 -0.05 0.54 -0.73 0.00 0.00 179.01 178.86 1y9i n ARG 21 N -4.50 0.87 0.00 1.92 5.12 -0.05 -4.91 116.66 115.11 1y9i n ARG 21 Ca -0.02 -0.24 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 1y9i n ARG 21 Cb 0.10 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1y9i n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y9i n GLY 22 N 1.19 1.11 3.19 -0.13 0.00 -0.25 -5.08 105.19 105.21 1y9i n GLY 22 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1y9i n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y9i s VAL 23 N -2.00 2.65 0.21 1.61 1.01 -0.43 -5.01 120.40 118.45 1y9i s VAL 23 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1y9i s VAL 23 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1y9i s VAL 23 CO 0.00 0.35 0.39 -1.61 0.00 0.00 0.00 175.10 174.23 1y9i s GLU 24 N 1.33 3.50 0.27 2.72 0.41 -1.26 -3.18 118.70 122.48 1y9i s GLU 24 Ca 0.02 -0.42 -0.01 0.00 -0.41 0.00 0.00 54.97 54.16 1y9i s GLU 24 Cb -0.15 -2.84 0.53 0.00 -1.78 0.00 0.00 34.13 29.89 1y9i s GLU 24 CO -0.07 0.40 1.78 0.82 -0.49 0.00 0.00 175.26 177.70 1y9i h ILE 25 N 1.44 0.78 -0.18 -1.63 1.08 -1.98 -0.16 117.51 116.86 1y9i h ILE 25 Ca -0.49 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1y9i h ILE 25 Cb 1.20 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1y9i h ILE 25 CO 0.67 0.13 0.03 0.44 -0.69 0.00 0.00 178.15 178.72 1y9i h ASP 26 N 0.72 0.23 -0.73 1.72 5.19 -1.98 0.38 116.42 121.95 1y9i h ASP 26 Ca 0.47 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.82 1y9i h ASP 26 Cb 0.61 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.02 1y9i h ASP 26 CO -0.33 0.26 0.32 0.44 -3.12 0.00 0.00 179.24 176.81 1y9i h ASP 27 N 0.26 1.00 0.26 6.45 3.32 -1.41 -1.03 116.42 125.26 1y9i h ASP 27 Ca 0.06 -0.13 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 1y9i h ASP 27 Cb 0.13 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.44 1y9i h ASP 27 CO -0.00 0.87 -1.13 0.40 -1.72 0.00 0.00 179.24 177.66 1y9i h ILE 28 N 1.07 1.35 -0.81 0.35 2.04 -1.24 -3.22 117.51 117.06 1y9i h ILE 28 Ca 0.25 -2.53 0.02 0.00 1.00 0.00 0.00 64.86 63.61 1y9i h ILE 28 Cb 0.16 2.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 1y9i h ILE 28 CO -0.03 0.76 0.53 0.00 0.00 0.00 0.00 178.15 179.42 1y9i h ALA 29 N 0.49 1.47 -0.24 1.87 0.00 -0.62 -1.76 119.26 120.47 1y9i h ALA 29 Ca -0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1y9i h ALA 29 Cb 1.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1y9i h ALA 29 CO 0.21 0.47 -0.08 0.93 0.00 0.00 0.00 179.25 180.77 1y9i h GLU 30 N 1.04 0.37 -0.54 0.00 5.08 -1.21 -1.72 114.58 117.60 1y9i h GLU 30 Ca 0.31 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1y9i h GLU 30 Cb -0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1y9i h GLU 30 CO -0.08 0.47 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.25 1y9i h LEU 31 N 0.36 0.99 -0.35 1.33 3.38 -1.34 -1.75 115.31 117.91 1y9i h LEU 31 Ca 0.07 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1y9i h LEU 31 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1y9i h LEU 31 CO 0.02 1.08 0.13 0.58 0.09 0.00 0.00 178.44 180.34 1y9i h VAL 32 N 0.89 1.19 -0.90 1.22 2.07 -1.10 -1.81 116.25 117.82 1y9i h VAL 32 Ca 0.15 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1y9i h VAL 32 Cb 0.62 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1y9i h VAL 32 CO 0.04 0.21 0.56 0.25 0.02 0.00 0.00 177.57 178.65 1y9i h LEU 33 N 0.42 0.88 -1.49 2.57 5.85 -1.12 -0.23 115.31 122.18 1y9i h LEU 33 Ca 0.12 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1y9i h LEU 33 Cb 0.20 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1y9i h LEU 33 CO -0.01 0.56 -0.16 0.15 -0.34 0.00 0.00 178.44 178.64 1y9i h PHE 34 N 1.01 0.14 0.04 1.25 3.57 -0.94 -0.75 116.94 121.26 1y9i h PHE 34 Ca 0.39 -0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.60 1y9i h PHE 34 Cb 0.19 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1y9i h PHE 34 CO -0.03 0.29 -1.48 -0.07 -2.23 0.00 0.00 178.31 174.79 1y9i h LEU 35 N 0.13 0.14 -0.47 0.59 3.38 -0.35 -3.40 115.31 115.31 1y9i h LEU 35 Ca 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1y9i h LEU 35 Cb 0.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1y9i h LEU 35 CO 0.02 1.18 -0.45 0.00 0.09 0.00 0.00 178.44 179.28 1y9i n GLN 36 N -3.27 2.08 0.27 1.13 1.13 -0.23 -4.47 117.38 114.03 1y9i n GLN 36 Ca -0.13 -0.42 0.15 0.00 -1.94 0.00 0.00 57.00 54.66 1y9i n GLN 36 Cb 1.02 -1.19 0.71 0.00 0.11 0.00 0.00 30.24 30.89 1y9i n GLN 36 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1y9i h GLN 37 N 0.90 0.00 0.00 -1.09 -0.00 -1.35 -1.13 115.11 112.44 1y9i h GLN 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1y9i h GLN 37 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1y9i h GLN 37 CO 0.00 0.08 0.00 1.57 -0.00 0.00 0.00 178.83 180.48 1y9i h LYS 38 N 0.00 0.00 0.00 0.06 2.10 -1.83 -2.97 116.57 113.94 1y9i h LYS 38 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1y9i h LYS 38 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1y9i h LYS 38 CO 0.01 0.00 -0.20 0.66 -2.00 0.00 0.00 179.45 177.92 1y9i n TYR 39 N -2.81 0.00 -3.30 0.07 4.01 -0.72 -4.89 117.16 109.52 1y9i n TYR 39 Ca -0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1y9i n TYR 39 Cb 0.19 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.14 1y9i n TYR 39 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1y9i n HIS 40 N -1.10 -1.23 -0.31 -0.72 8.25 -0.51 -5.02 115.22 114.59 1y9i n HIS 40 Ca 0.00 -3.10 0.14 0.00 -0.26 0.00 0.00 57.72 54.50 1y9i n HIS 40 Cb 0.01 0.36 0.30 0.00 1.12 0.00 0.00 29.99 31.79 1y9i n HIS 40 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1y9i h PRO 41 N 5.42 0.13 0.00 -0.41 0.11 -1.83 0.75 132.00 136.17 1y9i h PRO 41 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1y9i h PRO 41 Cb 0.93 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1y9i h PRO 41 CO 0.34 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.63 1y9i n GLY 42 N -1.40 -1.13 3.64 -0.55 0.00 -1.26 -4.89 105.19 99.59 1y9i n GLY 42 Ca 0.22 -0.13 -0.51 0.00 0.00 0.00 0.00 46.02 45.60 1y9i n GLY 42 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1y9i n LEU 43 N -1.25 2.32 -4.79 0.99 7.94 0.26 -4.97 117.00 117.50 1y9i n LEU 43 Ca 0.14 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.87 1y9i n LEU 43 Cb 0.20 -1.27 -0.05 0.00 0.53 0.00 0.00 43.42 42.82 1y9i n LEU 43 CO 0.20 -0.66 -0.22 -1.61 -1.11 0.00 0.00 177.39 173.99 1y9i s GLU 44 N 1.31 2.85 0.48 1.96 2.02 -1.26 -5.00 118.70 121.05 1y9i s GLU 44 Ca 0.85 -0.93 0.15 0.00 0.02 0.00 0.00 54.97 55.07 1y9i s GLU 44 Cb -0.87 -2.60 1.15 0.00 0.10 0.00 0.00 34.13 31.91 1y9i s GLU 44 CO 0.47 0.47 2.07 1.25 0.02 0.00 0.00 175.26 179.53 1y9i h LEU 45 N 2.29 0.19 -0.39 1.80 5.85 -1.94 -2.18 115.31 120.93 1y9i h LEU 45 Ca -0.48 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1y9i h LEU 45 Cb 1.21 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1y9i h LEU 45 CO 0.62 0.13 0.17 -0.78 -0.34 0.00 0.00 178.44 178.24 1y9i h ASP 46 N 0.22 0.23 -0.09 1.25 1.82 -1.98 0.16 116.42 118.03 1y9i h ASP 46 Ca 0.14 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.70 1y9i h ASP 46 Cb 0.27 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1y9i h ASP 46 CO -0.02 0.17 -0.26 0.40 -1.61 0.00 0.00 179.24 177.92 1y9i h ILE 47 N 0.36 1.27 -0.54 2.25 1.08 -1.81 -2.18 117.51 117.93 1y9i h ILE 47 Ca 0.17 -1.30 -0.06 0.00 -0.39 0.00 0.00 64.86 63.28 1y9i h ILE 47 Cb 0.11 1.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1y9i h ILE 47 CO -0.14 0.42 0.10 0.00 -0.69 0.00 0.00 178.15 177.84 1y9i h ARG 49 N 0.78 0.79 -0.55 0.00 3.08 -0.46 -2.02 114.38 115.99 1y9i h ARG 49 Ca 0.17 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.19 1y9i h ARG 49 Cb 0.38 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1y9i h ARG 49 CO 0.01 0.60 0.25 1.96 -1.07 0.00 0.00 179.97 181.72 1y9i h GLN 50 N 0.76 0.46 -0.12 0.04 4.20 -1.14 -0.71 115.11 118.60 1y9i h GLN 50 Ca 0.20 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 1y9i h GLN 50 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1y9i h GLN 50 CO -0.03 0.30 -0.40 -0.91 -0.67 0.00 0.00 178.83 177.12 1y9i h ASN 51 N 0.47 0.27 -0.52 1.46 2.35 -1.18 -2.16 115.58 116.27 1y9i h ASN 51 Ca 0.26 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1y9i h ASN 51 Cb 0.23 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1y9i h ASN 51 CO -0.22 0.65 -0.12 0.58 -1.65 0.00 0.00 177.43 176.67 1y9i h VAL 52 N 0.22 1.27 -0.39 2.81 2.07 -0.72 -2.49 116.25 119.01 1y9i h VAL 52 Ca 0.02 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1y9i h VAL 52 Cb 0.81 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1y9i h VAL 52 CO 0.06 0.45 0.23 -0.33 0.02 0.00 0.00 177.57 178.01 1y9i h GLU 53 N 0.90 0.46 -0.96 1.57 4.39 -0.82 -1.41 114.58 118.71 1y9i h GLU 53 Ca 0.14 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1y9i h GLU 53 Cb 0.69 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 1y9i h GLU 53 CO 0.05 0.30 0.63 0.45 -1.16 0.00 0.00 179.01 179.28 1y9i h HIS 54 N 0.47 1.17 -0.36 4.33 3.86 -1.23 -1.96 115.15 121.43 1y9i h HIS 54 Ca 0.15 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1y9i h HIS 54 Cb 0.00 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 1y9i h HIS 54 CO -0.07 0.67 0.06 0.28 0.86 0.00 0.00 177.93 179.73 1y9i h VAL 55 N 1.20 1.24 0.00 2.45 2.07 -0.98 -2.78 116.25 119.45 1y9i h VAL 55 Ca 0.38 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1y9i h VAL 55 Cb 0.02 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1y9i h VAL 55 CO -0.12 0.28 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 1y9i h LEU 56 N 0.43 0.00 -0.02 2.57 3.38 -0.63 -2.02 115.31 119.02 1y9i h LEU 56 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1y9i h LEU 56 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y9i h LEU 56 CO 0.01 0.00 -0.04 0.54 0.09 0.00 0.00 178.44 179.04 1y9i n ARG 57 N -2.89 0.24 -2.93 1.13 1.74 -0.80 -4.67 116.66 108.47 1y9i n ARG 57 Ca -0.01 -0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 1y9i n ARG 57 Cb 0.17 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 1y9i n ARG 57 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1y9i s LYS 58 N -2.78 4.46 0.29 5.56 1.02 -0.76 -4.96 119.74 122.57 1y9i s LYS 58 Ca 0.21 1.05 0.02 0.00 0.02 0.00 0.00 55.97 57.28 1y9i s LYS 58 Cb 0.20 -3.47 0.60 0.00 -0.52 0.00 0.00 37.83 34.64 1y9i s LYS 58 CO 0.51 -0.01 1.84 -0.09 -0.92 0.00 0.00 175.35 176.67 1y9i h ARG 59 N 6.84 0.92 -0.95 1.68 2.43 -1.89 -1.23 114.38 122.18 1y9i h ARG 59 Ca -0.40 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 1y9i h ARG 59 Cb 1.20 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1y9i h ARG 59 CO 0.76 0.61 0.63 1.49 -1.51 0.00 0.00 179.97 181.95 1y9i h GLU 60 N 0.95 1.24 -0.17 0.20 4.57 -1.95 -0.43 114.58 119.00 1y9i h GLU 60 Ca 0.49 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.47 1y9i h GLU 60 Cb 0.52 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1y9i h GLU 60 CO -0.26 0.82 -0.40 0.28 -1.18 0.00 0.00 179.01 178.28 1y9i h VAL 61 N 1.28 1.34 -0.80 0.32 2.07 -1.57 -2.82 116.25 116.08 1y9i h VAL 61 Ca 0.36 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1y9i h VAL 61 Cb -0.12 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1y9i h VAL 61 CO -0.08 0.50 0.52 1.56 0.02 0.00 0.00 177.57 180.09 1y9i h GLN 62 N 0.21 1.06 -0.77 1.57 4.20 -0.91 -0.44 115.11 120.04 1y9i h GLN 62 Ca -0.00 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1y9i h GLN 62 Cb 1.00 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 1y9i h GLN 62 CO 0.09 0.71 0.51 -0.91 -0.67 0.00 0.00 178.83 178.56 1y9i h ASN 63 N 1.09 0.89 -0.41 1.46 2.35 -1.08 -1.47 115.58 118.40 1y9i h ASN 63 Ca 0.29 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 1y9i h ASN 63 Cb -0.10 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1y9i h ASN 63 CO -0.06 0.65 -0.05 0.00 -1.65 0.00 0.00 177.43 176.32 1y9i h ALA 64 N 1.28 0.56 0.09 -0.83 0.00 -1.13 -2.06 119.26 117.17 1y9i h ALA 64 Ca 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y9i h ALA 64 Cb -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1y9i h ALA 64 CO -0.06 0.39 -0.06 0.28 0.00 0.00 0.00 179.25 179.80 1y9i h VAL 65 N 0.58 0.88 -0.16 0.00 2.07 -0.87 0.43 116.25 119.18 1y9i h VAL 65 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1y9i h VAL 65 Cb 0.55 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1y9i h VAL 65 CO 0.03 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.65 1y9i h LEU 66 N -0.14 0.19 -0.31 2.57 4.07 -1.27 -0.69 115.31 119.73 1y9i h LEU 66 Ca -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1y9i h LEU 66 Cb 0.12 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1y9i h LEU 66 CO 0.01 0.17 0.11 0.74 -1.08 0.00 0.00 178.44 178.39 1y9i h THR 67 N 0.19 1.19 -0.02 0.22 2.02 -1.28 -1.14 112.91 114.09 1y9i h THR 67 Ca 0.06 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1y9i h THR 67 Cb 0.01 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1y9i h THR 67 CO -0.01 0.20 0.01 1.23 0.37 0.00 0.00 175.52 177.32 1y9i h GLY 68 N 0.34 0.03 1.21 2.16 0.00 -0.82 -2.63 103.07 103.37 1y9i h GLY 68 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1y9i h GLY 68 CO -0.01 0.02 0.30 -2.22 0.00 0.00 0.00 176.54 174.63 1y9i h ILE 69 N -0.18 1.23 -0.75 2.60 2.04 -1.13 -2.05 117.51 119.29 1y9i h ILE 69 Ca 0.01 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 65.24 1y9i h ILE 69 Cb 0.21 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1y9i h ILE 69 CO -0.00 0.29 0.41 -0.61 0.00 0.00 0.00 178.15 178.24 1y9i h GLN 70 N 1.00 0.69 -0.44 2.37 5.75 -1.09 0.13 115.11 123.52 1y9i h GLN 70 Ca 0.24 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 1y9i h GLN 70 Cb 0.16 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1y9i h GLN 70 CO -0.02 0.45 -0.26 -0.07 -2.65 0.00 0.00 178.83 176.28 1y9i h LEU 71 N 0.71 0.96 -0.41 -2.39 3.38 -1.07 -3.08 115.31 113.41 1y9i h LEU 71 Ca 0.35 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1y9i h LEU 71 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1y9i h LEU 71 CO -0.23 1.16 0.12 0.44 0.09 0.00 0.00 178.44 180.01 1y9i h ASP 72 N 0.79 0.60 0.00 -0.43 3.32 -0.64 -1.94 116.42 118.13 1y9i h ASP 72 Ca 0.09 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1y9i h ASP 72 Cb 0.83 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1y9i h ASP 72 CO 0.07 0.66 0.00 0.52 -1.72 0.00 0.00 179.24 178.77 1y9i n VAL 73 N -4.58 0.02 0.00 -1.35 0.31 0.36 -0.70 118.33 112.39 1y9i n VAL 73 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1y9i n VAL 73 Cb 0.19 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1y9i n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y9i n ALA 75 N 0.59 0.00 0.04 3.52 0.00 -0.73 -1.52 120.51 122.41 1y9i n ALA 75 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1y9i n ALA 75 Cb 0.02 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.89 1y9i n ALA 75 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1y9i h GLU 76 N 0.00 0.44 -0.25 0.00 4.81 -1.16 -0.51 114.58 117.91 1y9i h GLU 76 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1y9i h GLU 76 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1y9i h GLU 76 CO 0.00 0.36 0.00 1.63 -0.73 0.00 0.00 179.01 180.27 1y9i n LYS 77 N -4.42 2.05 -3.30 1.92 5.02 -0.58 -4.94 118.16 113.91 1y9i n LYS 77 Ca 0.02 -1.57 -0.23 0.00 -2.02 0.00 0.00 58.31 54.50 1y9i n LYS 77 Cb 0.12 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1y9i n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y9i n GLY 78 N 1.28 -0.53 0.23 0.72 0.00 -0.20 -4.92 105.19 101.77 1y9i n GLY 78 Ca 0.17 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1y9i n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y9i n GLU 79 N -4.44 0.60 -2.43 1.61 1.02 -1.26 -4.98 120.64 110.76 1y9i n GLU 79 Ca -0.06 -0.47 -0.31 0.00 -0.02 0.00 0.00 57.16 56.30 1y9i n GLU 79 Cb 0.59 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 1y9i n GLU 79 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1y9i s LEU 80 N -2.72 3.60 0.55 -4.62 1.43 -1.26 -5.02 118.68 110.64 1y9i s LEU 80 Ca 0.15 1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 1y9i s LEU 80 Cb 0.17 -4.33 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 1y9i s LEU 80 CO 0.69 -0.59 1.08 0.68 0.23 0.00 0.00 176.35 178.43 1y9i s VAL 81 N -2.67 3.54 0.36 -1.59 -7.23 -1.26 -4.43 120.40 107.13 1y9i s VAL 81 Ca 0.55 0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 61.40 1y9i s VAL 81 Cb -0.10 -3.34 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 1y9i s VAL 81 CO 0.36 -0.30 0.85 -1.10 -0.31 0.00 0.00 175.10 174.60 1y9i s GLN 82 N -3.59 4.17 0.00 4.82 -1.52 -1.26 -0.95 119.66 121.33 1y9i s GLN 82 Ca 0.68 0.94 0.28 0.00 -1.95 0.00 0.00 55.36 55.31 1y9i s GLN 82 Cb -0.19 -2.38 1.21 0.00 -0.22 0.00 0.00 33.01 31.43 1y9i s GLN 82 CO 0.29 0.10 1.83 -0.35 -0.25 0.00 0.00 175.29 176.92 1y9i n PRO 83 N -0.33 1.53 -0.36 2.91 -0.04 -1.26 -4.87 135.00 132.58 1y9i n PRO 83 Ca 0.04 -0.77 0.08 0.00 -0.04 0.00 0.00 63.50 62.81 1y9i n PRO 83 Cb 0.53 -1.48 0.24 0.00 -0.04 0.00 0.00 33.50 32.76 1y9i n PRO 83 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1y9i h LEU 84 N 1.86 0.90 -0.20 1.53 5.85 -1.75 -0.42 115.31 123.08 1y9i h LEU 84 Ca 0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1y9i h LEU 84 Cb 0.39 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1y9i h LEU 84 CO 0.00 0.47 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.76 1y9i h GLN 85 N 0.97 -0.20 -0.17 1.25 5.75 -1.26 0.24 115.11 121.69 1y9i h GLN 85 Ca 0.50 0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.85 1y9i h GLN 85 Cb 0.53 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1y9i h GLN 85 CO -0.28 -0.14 -0.57 -0.91 -2.65 0.00 0.00 178.83 174.29 1y9i h ASN 86 N -0.21 0.59 0.02 -0.69 2.35 -1.68 -0.93 115.58 115.03 1y9i h ASN 86 Ca 0.12 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1y9i h ASN 86 Cb 0.40 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1y9i h ASN 86 CO -0.32 1.03 -0.01 0.40 -1.65 0.00 0.00 177.43 176.88 1y9i h ILE 87 N 0.40 0.99 -0.10 2.81 2.04 -0.65 -0.89 117.51 122.10 1y9i h ILE 87 Ca 0.00 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 1y9i h ILE 87 Cb 1.11 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1y9i h ILE 87 CO 0.11 0.01 -0.46 0.40 0.00 0.00 0.00 178.15 178.20 1y9i h ILE 88 N -0.03 1.37 -0.51 -0.67 2.04 -0.98 -1.87 117.51 116.86 1y9i h ILE 88 Ca -0.00 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.06 1y9i h ILE 88 Cb 0.03 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1y9i h ILE 88 CO 0.00 0.54 0.30 0.77 0.00 0.00 0.00 178.15 179.76 1y9i h SER 89 N 0.08 0.60 0.18 1.72 4.64 -1.15 -1.31 113.55 118.31 1y9i h SER 89 Ca -0.03 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1y9i h SER 89 Cb 1.10 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1y9i h SER 89 CO 0.10 0.47 -0.16 0.00 -0.87 0.00 0.00 176.83 176.37 1y9i n ALA 90 N -2.46 2.88 -3.71 5.18 0.00 -0.34 -4.93 120.51 117.13 1y9i n ALA 90 Ca 0.04 -0.39 -0.24 0.00 0.00 0.00 0.00 53.44 52.86 1y9i n ALA 90 Cb 0.08 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.37 1y9i n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1y9i n ASP 91 N -0.49 -2.29 -4.64 0.00 2.03 -0.50 -4.83 116.55 105.83 1y9i n ASP 91 Ca 0.15 -0.89 -0.47 0.00 0.52 0.00 0.00 54.79 54.10 1y9i n ASP 91 Cb 0.33 -3.80 -0.03 0.00 -0.72 0.00 0.00 41.12 36.90 1y9i n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1y9i n GLU 92 N -4.20 1.71 0.26 -0.67 -0.58 -0.76 -4.88 120.64 111.52 1y9i n GLU 92 Ca -0.24 0.61 0.09 0.00 -0.42 0.00 0.00 57.16 57.20 1y9i n GLU 92 Cb 0.66 -2.23 0.66 0.00 -0.57 0.00 0.00 31.44 29.96 1y9i n GLU 92 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1y9i h GLY 93 N 4.18 0.00 -0.50 0.62 0.00 -1.92 -2.17 103.07 103.28 1y9i h GLY 93 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1y9i h GLY 93 CO 0.76 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.34 1y9i n LEU 94 N -4.42 1.48 -4.57 3.11 4.77 -1.26 -4.76 117.00 111.34 1y9i n LEU 94 Ca -0.03 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 1y9i n LEU 94 Cb 0.11 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1y9i n LEU 94 CO 0.33 0.27 0.35 -0.47 -1.33 0.00 0.00 177.39 176.54 1y9i s TYR 95 N -1.94 3.17 -0.30 -1.77 5.04 -0.82 -4.94 117.35 115.79 1y9i s TYR 95 Ca 0.37 0.36 0.12 0.00 -2.44 0.00 0.00 57.07 55.48 1y9i s TYR 95 Cb 0.20 -3.07 0.30 0.00 0.35 0.00 0.00 41.96 39.74 1y9i s TYR 95 CO 0.32 -0.58 1.22 0.41 -1.34 0.00 0.00 175.55 175.58 1y9i n GLY 96 N 4.64 3.72 0.22 8.97 0.00 -1.26 -4.62 105.19 116.87 1y9i n GLY 96 Ca -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.33 1y9i n GLY 96 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y9i h VAL 97 N 0.99 1.24 -0.42 1.61 2.07 -1.98 -1.81 116.25 117.94 1y9i h VAL 97 Ca 0.00 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1y9i h VAL 97 Cb 0.95 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1y9i h VAL 97 CO 0.06 0.35 -0.07 -2.24 0.02 0.00 0.00 177.57 175.70 1y9i h ASP 98 N 0.26 0.70 0.31 0.57 2.03 -1.89 -0.95 116.42 117.44 1y9i h ASP 98 Ca 0.04 -0.18 -0.14 0.00 -0.73 0.00 0.00 57.03 56.02 1y9i h ASP 98 Cb 0.58 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 1y9i h ASP 98 CO 0.04 0.81 -0.56 -0.33 -1.03 0.00 0.00 179.24 178.17 1y9i h GLU 99 N 0.66 0.26 -0.26 4.15 3.07 -1.75 -1.27 114.58 119.45 1y9i h GLU 99 Ca 0.12 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1y9i h GLU 99 Cb 0.51 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1y9i h GLU 99 CO 0.03 0.75 0.02 0.82 -1.40 0.00 0.00 179.01 179.23 1y9i h ILE 100 N 0.20 1.24 -0.57 3.13 1.08 -0.90 -0.32 117.51 121.37 1y9i h ILE 100 Ca 0.00 -0.85 -0.04 0.00 -0.39 0.00 0.00 64.86 63.58 1y9i h ILE 100 Cb 1.05 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 1y9i h ILE 100 CO 0.09 0.27 0.21 0.25 -0.69 0.00 0.00 178.15 178.28 1y9i h LEU 101 N 0.24 0.80 -0.84 1.44 5.85 -1.08 -2.84 115.31 118.88 1y9i h LEU 101 Ca 0.08 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1y9i h LEU 101 Cb 0.38 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1y9i h LEU 101 CO 0.01 0.77 0.53 0.00 -0.34 0.00 0.00 178.44 179.41 1y9i h ALA 102 N 1.06 1.07 0.00 1.25 0.00 -1.02 -2.28 119.26 119.34 1y9i h ALA 102 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1y9i h ALA 102 Cb 0.23 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1y9i h ALA 102 CO -0.01 0.51 -0.10 1.25 0.00 0.00 0.00 179.25 180.90 1y9i h LEU 103 N 1.15 0.00 -1.49 0.00 5.85 -0.81 -1.32 115.31 118.69 1y9i h LEU 103 Ca 0.31 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1y9i h LEU 103 Cb -0.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1y9i h LEU 103 CO -0.06 0.10 -0.14 0.77 -0.34 0.00 0.00 178.44 178.77 1y9i h SER 104 N 0.00 0.00 0.07 1.25 4.64 -1.30 -0.07 113.55 118.14 1y9i h SER 104 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1y9i h SER 104 Cb 0.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1y9i h SER 104 CO 0.01 0.14 -0.41 0.40 -0.87 0.00 0.00 176.83 176.10 1y9i h ILE 105 N 0.00 1.65 -0.80 0.95 2.04 -1.28 -3.31 117.51 116.76 1y9i h ILE 105 Ca -0.00 -2.42 0.06 0.00 1.00 0.00 0.00 64.86 63.50 1y9i h ILE 105 Cb 0.55 3.27 -0.06 0.00 -0.74 0.00 0.00 36.82 39.84 1y9i h ILE 105 CO 0.02 0.66 0.48 0.58 0.00 0.00 0.00 178.15 179.88 1y9i h VAL 106 N -0.66 1.01 0.00 1.67 2.07 -1.10 -2.11 116.25 117.12 1y9i h VAL 106 Ca -0.07 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1y9i h VAL 106 Cb 1.32 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1y9i h VAL 106 CO 0.08 0.16 0.00 0.78 0.02 0.00 0.00 177.57 178.61 1y9i h ASN 107 N 0.86 0.00 0.17 0.57 -0.26 -1.10 -2.16 115.58 113.67 1y9i h ASN 107 Ca 0.35 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1y9i h ASN 107 Cb 0.20 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1y9i h ASN 107 CO -0.18 0.00 -0.02 -0.37 -1.06 0.00 0.00 177.43 175.80 1y9i h VAL 108 N 0.00 0.17 0.00 2.81 -1.51 -1.46 -1.68 116.25 114.58 1y9i h VAL 108 Ca 0.00 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1y9i h VAL 108 Cb 0.01 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.26 1y9i h VAL 108 CO 0.00 0.02 -0.35 -1.22 -1.23 0.00 0.00 177.57 174.78 1y9i n TYR 109 N -3.30 0.00 0.00 5.19 4.01 -0.81 -5.11 117.16 117.14 1y9i n TYR 109 Ca -0.02 -1.27 0.00 0.00 -0.16 0.00 0.00 57.90 56.44 1y9i n TYR 109 Cb 0.12 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 1y9i n TYR 109 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y9i n GLY 110 N -1.15 -1.73 0.25 2.72 0.00 -0.63 -4.56 105.19 100.09 1y9i n GLY 110 Ca 0.17 -1.54 0.17 0.00 0.00 0.00 0.00 46.02 44.83 1y9i n GLY 110 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y9i h SER 111 N 0.00 0.00 0.22 1.61 4.64 -1.87 -2.63 113.55 115.53 1y9i h SER 111 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y9i h SER 111 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1y9i h SER 111 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1y9i n ILE 112 N -2.71 0.91 1.03 0.95 -5.35 -1.26 -1.46 119.36 111.47 1y9i n ILE 112 Ca -0.02 0.23 0.11 0.00 -0.27 0.00 0.00 62.75 62.80 1y9i n ILE 112 Cb 0.08 -1.06 0.02 0.00 -1.74 0.00 0.00 39.64 36.94 1y9i n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y9i n GLY 113 N -0.47 -0.43 0.16 3.28 0.00 -0.99 -4.49 105.19 102.26 1y9i n GLY 113 Ca 0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 1y9i n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1y9i h PHE 114 N 1.42 0.06 0.17 1.61 0.04 -1.46 -2.23 116.94 116.55 1y9i h PHE 114 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1y9i h PHE 114 Cb 0.64 0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1y9i h PHE 114 CO 0.00 -0.02 -0.08 1.15 -0.60 0.00 0.00 178.31 178.75 1y9i h THR 115 N 0.16 0.84 -0.74 -1.55 2.02 -1.79 -2.44 112.91 109.40 1y9i h THR 115 Ca 0.19 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.34 1y9i h THR 115 Cb 0.24 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1y9i h THR 115 CO -0.27 0.01 0.49 0.78 0.37 0.00 0.00 175.52 176.90 1y9i h ASN 116 N -0.25 0.83 0.22 4.18 2.35 -1.81 0.03 115.58 121.11 1y9i h ASN 116 Ca -0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1y9i h ASN 116 Cb 0.20 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1y9i h ASN 116 CO 0.04 0.59 -0.10 0.22 -1.65 0.00 0.00 177.43 176.53 1y9i h TYR 117 N 0.97 -0.27 -0.30 1.19 3.20 -1.22 -0.32 116.97 120.22 1y9i h TYR 117 Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1y9i h TYR 117 Cb -0.06 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1y9i h TYR 117 CO -0.00 -0.16 0.10 0.78 -1.64 0.00 0.00 178.16 177.24 1y9i h GLY 118 N -0.30 0.50 0.65 1.82 0.00 -1.09 -1.46 103.07 103.19 1y9i h GLY 118 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1y9i h GLY 118 CO 0.05 0.27 -0.15 -1.82 0.00 0.00 0.00 176.54 174.89 1y9i h TYR 119 N 0.33 -0.39 -0.08 5.60 3.20 -0.92 -1.39 116.97 123.32 1y9i h TYR 119 Ca 0.10 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1y9i h TYR 119 Cb 0.23 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1y9i h TYR 119 CO 0.00 -0.23 -0.30 0.97 -1.64 0.00 0.00 178.16 176.97 1y9i h ILE 120 N -0.27 1.24 0.00 1.81 2.10 -1.03 -0.84 117.51 120.53 1y9i h ILE 120 Ca 0.04 -1.15 -0.10 0.00 1.08 0.00 0.00 64.86 64.73 1y9i h ILE 120 Cb 0.32 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.55 1y9i h ILE 120 CO -0.13 0.34 -0.48 -0.78 -1.08 0.00 0.00 178.15 176.02 1y9i h ASP 121 N 0.13 0.00 0.12 2.19 3.58 -0.83 0.12 116.42 121.73 1y9i h ASP 121 Ca 0.02 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.29 1y9i h ASP 121 Cb 0.60 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.66 1y9i h ASP 121 CO 0.04 0.48 -0.84 0.50 -2.88 0.00 0.00 179.24 176.55 1y9i h LYS 122 N 0.00 0.26 -0.22 0.28 1.63 -0.76 -3.36 116.57 114.40 1y9i h LYS 122 Ca -0.00 -0.44 -0.14 0.00 -0.85 0.00 0.00 60.65 59.21 1y9i h LYS 122 Cb 0.88 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1y9i h LYS 122 CO 0.06 1.21 -0.41 0.28 -3.45 0.00 0.00 179.45 177.15 1y9i h VAL 123 N -0.43 1.32 -5.73 2.00 2.07 -1.17 -3.48 116.25 110.83 1y9i h VAL 123 Ca -0.16 -1.62 -0.32 0.00 0.82 0.00 0.00 66.70 65.42 1y9i h VAL 123 Cb 1.60 1.79 0.15 0.00 -1.52 0.00 0.00 31.29 33.32 1y9i h VAL 123 CO 0.12 0.51 -0.87 0.29 0.02 0.00 0.00 177.57 177.64 1y9i n LYS 124 N -4.21 -2.81 -1.81 1.57 5.02 0.42 -4.97 118.16 111.37 1y9i n LYS 124 Ca -0.05 0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 56.69 1y9i n LYS 124 Cb 0.54 -5.36 0.10 0.00 -0.02 0.00 0.00 35.03 30.28 1y9i n LYS 124 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y9i s PRO 125 N -5.05 1.85 2.08 1.97 0.04 -1.26 -3.04 135.00 131.58 1y9i s PRO 125 Ca 0.36 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1y9i s PRO 125 Cb -0.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1y9i s PRO 125 CO 0.78 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1y9i n GLY 126 N -3.01 2.80 0.36 0.56 0.00 -1.26 -1.94 105.19 102.70 1y9i n GLY 126 Ca 0.08 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.30 1y9i n GLY 126 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1y9i h ILE 127 N 0.00 0.84 0.00 -0.61 6.09 -1.90 -0.10 117.51 121.83 1y9i h ILE 127 Ca 0.00 -0.08 -0.02 0.00 -1.37 0.00 0.00 64.86 63.39 1y9i h ILE 127 Cb 0.00 0.58 -0.00 0.00 0.47 0.00 0.00 36.82 37.87 1y9i h ILE 127 CO 0.00 0.04 -0.10 -0.07 -3.07 0.00 0.00 178.15 174.95 1y9i h LEU 128 N 0.24 0.00 -0.12 2.19 3.38 -1.64 -1.26 115.31 118.09 1y9i h LEU 128 Ca 0.25 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.99 1y9i h LEU 128 Cb 0.68 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1y9i h LEU 128 CO -0.05 0.10 -0.82 0.00 0.09 0.00 0.00 178.44 177.76 1y9i h ALA 129 N 1.90 0.27 0.00 1.53 0.00 -0.92 -2.99 119.26 119.04 1y9i h ALA 129 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1y9i h ALA 129 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1y9i h ALA 129 CO 0.01 0.67 0.00 0.87 0.00 0.00 0.00 179.25 180.81 1y9i h LYS 130 N 0.50 0.00 0.00 0.00 6.56 -1.22 -2.74 116.57 119.68 1y9i h LYS 130 Ca -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1y9i h LYS 130 Cb 1.46 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.12 1y9i h LYS 130 CO 0.17 0.00 -0.59 1.28 -2.06 0.00 0.00 179.45 178.25 1y9i n LEU 131 N -3.09 0.57 -2.18 2.94 4.77 -0.71 -4.18 117.00 115.12 1y9i n LEU 131 Ca 0.01 -0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 1y9i n LEU 131 Cb 0.31 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1y9i n LEU 131 CO 0.27 0.12 0.64 0.59 -1.33 0.00 0.00 177.39 177.68 1y9i n ASN 132 N -1.58 5.91 0.08 -1.43 3.02 -1.03 -4.58 115.26 115.66 1y9i n ASN 132 Ca 0.05 -3.76 0.01 0.00 -0.03 0.00 0.00 54.58 50.84 1y9i n ASN 132 Cb 0.35 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 1y9i n ASN 132 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1y9i h GLU 133 N 2.17 0.00 -6.39 3.52 5.08 -1.73 -3.49 114.58 113.75 1y9i h GLU 133 Ca 0.45 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.37 1y9i h GLU 133 Cb 1.21 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.51 1y9i h GLU 133 CO 1.06 0.43 -0.91 0.72 -1.00 0.00 0.00 179.01 179.32 1y9i n HIS 134 N -3.07 -1.90 1.95 4.33 8.25 -1.26 -4.84 115.22 118.68 1y9i n HIS 134 Ca -0.04 0.48 0.07 0.00 -0.26 0.00 0.00 57.72 57.97 1y9i n HIS 134 Cb 0.80 -3.25 0.43 0.00 1.12 0.00 0.00 29.99 29.09 1y9i n HIS 134 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1y9i n ASP 135 N -2.48 0.11 0.00 0.41 5.75 -1.26 -4.86 116.55 114.22 1y9i n ASP 135 Ca -0.12 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1y9i n ASP 135 Cb 0.59 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1y9i n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y9i n GLY 136 N 0.75 0.91 0.94 6.12 0.00 -1.26 -4.80 105.19 107.86 1y9i n GLY 136 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1y9i n GLY 136 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y9i n ILE 137 N -2.09 0.74 -2.57 -0.61 2.08 -1.26 -5.06 119.36 110.60 1y9i n ILE 137 Ca 0.00 0.25 -0.35 0.00 0.56 0.00 0.00 62.75 63.20 1y9i n ILE 137 Cb 0.00 -1.41 -0.04 0.00 -0.75 0.00 0.00 39.64 37.44 1y9i n ILE 137 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y9i s ALA 138 N -2.09 3.01 -0.12 -1.39 0.00 -1.26 -4.84 121.76 115.07 1y9i s ALA 138 Ca -0.02 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1y9i s ALA 138 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1y9i s ALA 138 CO 0.02 -0.22 -0.11 0.08 0.00 0.00 0.00 175.76 175.53 1y9i s VAL 139 N -1.81 1.29 -0.14 0.00 1.01 -1.26 -4.60 120.40 114.89 1y9i s VAL 139 Ca 0.61 -0.47 0.19 0.00 0.00 0.00 0.00 61.98 62.31 1y9i s VAL 139 Cb -0.19 -1.23 0.45 0.00 0.00 0.00 0.00 36.38 35.40 1y9i s VAL 139 CO 0.24 0.41 1.17 1.41 0.00 0.00 0.00 175.10 178.33 1y9i n HIS 140 N 4.66 0.53 -0.27 5.22 8.25 -1.26 -4.69 115.22 127.66 1y9i n HIS 140 Ca -0.16 -1.26 0.04 0.00 -0.26 0.00 0.00 57.72 56.09 1y9i n HIS 140 Cb 0.50 -0.21 0.18 0.00 1.12 0.00 0.00 29.99 31.58 1y9i n HIS 140 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1y9i h THR 141 N 4.61 0.75 0.08 1.59 2.02 -1.90 -1.60 112.91 118.47 1y9i h THR 141 Ca -0.09 -0.20 -0.34 0.00 0.77 0.00 0.00 66.41 66.56 1y9i h THR 141 Cb 1.51 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1y9i h THR 141 CO 0.16 0.10 -1.91 0.49 0.37 0.00 0.00 175.52 174.74 1y9i n PHE 142 N -4.90 1.15 -0.33 3.16 3.72 -1.26 -4.40 117.46 114.59 1y9i n PHE 142 Ca 0.14 0.30 -0.04 0.00 -0.05 0.00 0.00 57.45 57.80 1y9i n PHE 142 Cb 0.37 -1.17 0.09 0.00 -0.94 0.00 0.00 39.48 37.83 1y9i n PHE 142 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1y9i h LEU 143 N 0.05 1.10 -0.89 4.37 5.85 -1.79 -1.35 115.31 122.65 1y9i h LEU 143 Ca -0.38 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1y9i h LEU 143 Cb 2.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.73 1y9i h LEU 143 CO 0.08 0.86 0.58 -2.24 -0.34 0.00 0.00 178.44 177.39 1y9i h ASP 144 N 1.25 1.00 0.13 1.25 2.03 -1.50 0.74 116.42 121.32 1y9i h ASP 144 Ca 0.32 -0.02 -0.20 0.00 -0.73 0.00 0.00 57.03 56.40 1y9i h ASP 144 Cb -0.02 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.24 1y9i h ASP 144 CO -0.06 0.71 -0.76 0.44 -1.03 0.00 0.00 179.24 178.55 1y9i h ASP 145 N 1.17 0.63 -0.30 4.15 3.32 -1.71 -2.39 116.42 121.29 1y9i h ASP 145 Ca 0.34 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1y9i h ASP 145 Cb -0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1y9i h ASP 145 CO -0.09 1.18 0.17 0.40 -1.72 0.00 0.00 179.24 179.18 1y9i h ILE 146 N 0.36 1.12 -0.27 0.35 2.04 -0.67 0.11 117.51 120.55 1y9i h ILE 146 Ca -0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1y9i h ILE 146 Cb 1.35 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1y9i h ILE 146 CO 0.14 0.12 0.12 0.58 0.00 0.00 0.00 178.15 179.11 1y9i h VAL 147 N 0.37 1.16 -0.80 1.67 2.07 -0.86 -0.12 116.25 119.73 1y9i h VAL 147 Ca 0.11 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1y9i h VAL 147 Cb 0.05 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1y9i h VAL 147 CO -0.02 0.16 0.42 1.23 0.02 0.00 0.00 177.57 179.38 1y9i h GLY 148 N 0.30 1.21 1.03 2.17 0.00 -1.29 -1.87 103.07 104.61 1y9i h GLY 148 Ca 0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1y9i h GLY 148 CO -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 176.54 177.04 1y9i h ALA 149 N 1.33 0.69 -0.77 3.60 0.00 -0.43 -1.08 119.26 122.61 1y9i h ALA 149 Ca 0.28 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1y9i h ALA 149 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1y9i h ALA 149 CO -0.04 0.53 0.32 0.82 0.00 0.00 0.00 179.25 180.88 1y9i h ILE 150 N 0.78 1.25 -0.53 0.00 2.04 -0.72 0.06 117.51 120.40 1y9i h ILE 150 Ca 0.14 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1y9i h ILE 150 Cb 0.56 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1y9i h ILE 150 CO 0.03 0.32 0.20 0.00 0.00 0.00 0.00 178.15 178.70 1y9i h ALA 151 N 1.17 0.69 -0.50 1.87 0.00 -1.13 0.02 119.26 121.37 1y9i h ALA 151 Ca 0.26 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1y9i h ALA 151 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1y9i h ALA 151 CO -0.02 0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.60 1y9i h ALA 152 N 1.05 0.67 -0.65 0.00 0.00 -0.79 -0.36 119.26 119.18 1y9i h ALA 152 Ca 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1y9i h ALA 152 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1y9i h ALA 152 CO -0.01 0.42 0.28 0.00 0.00 0.00 0.00 179.25 179.94 1y9i h ALA 153 N 0.96 0.84 -0.78 0.00 0.00 -0.76 -0.80 119.26 118.72 1y9i h ALA 153 Ca 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1y9i h ALA 153 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1y9i h ALA 153 CO 0.01 0.44 0.31 0.00 0.00 0.00 0.00 179.25 180.01 1y9i h ALA 154 N 1.12 1.01 -0.34 0.00 0.00 -0.76 -1.12 119.26 119.17 1y9i h ALA 154 Ca 0.22 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1y9i h ALA 154 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1y9i h ALA 154 CO -0.02 0.64 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 1y9i h ALA 155 N 1.16 1.11 -0.44 0.00 0.00 -0.65 -1.49 119.26 118.95 1y9i h ALA 155 Ca 0.26 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1y9i h ALA 155 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1y9i h ALA 155 CO -0.02 0.55 -0.09 0.77 0.00 0.00 0.00 179.25 180.46 1y9i h SER 156 N 0.55 0.84 -0.37 0.00 0.02 -0.66 -0.26 113.55 113.67 1y9i h SER 156 Ca 0.09 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1y9i h SER 156 Cb 0.58 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1y9i h SER 156 CO 0.04 1.00 0.23 -0.09 -1.14 0.00 0.00 176.83 176.87 1y9i h ARG 157 N 0.67 0.50 -0.28 3.45 2.43 -0.99 -1.41 114.38 118.74 1y9i h ARG 157 Ca 0.11 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1y9i h ARG 157 Cb 0.62 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1y9i h ARG 157 CO 0.04 0.36 0.05 1.25 -1.51 0.00 0.00 179.97 180.16 1y9i h LEU 158 N 0.49 -0.00 -1.11 3.80 5.85 -1.07 -0.89 115.31 122.36 1y9i h LEU 158 Ca 0.13 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.00 1y9i h LEU 158 Cb -0.01 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1y9i h LEU 158 CO -0.03 0.03 0.61 0.00 -0.34 0.00 0.00 178.44 178.71 1y9i h ALA 159 N 1.21 1.58 -0.28 1.25 0.00 -0.56 0.32 119.26 122.77 1y9i h ALA 159 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1y9i h ALA 159 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1y9i h ALA 159 CO -0.18 0.22 -0.30 0.45 0.00 0.00 0.00 179.25 179.44 1y9i h HIS 160 N 0.96 0.67 -0.15 0.00 3.86 -0.47 -3.10 115.15 116.92 1y9i h HIS 160 Ca 0.45 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1y9i h HIS 160 Cb 0.42 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1y9i h HIS 160 CO -0.00 0.82 0.04 0.77 0.86 0.00 0.00 177.93 180.42 1y9i h SER 161 N 0.50 0.22 -0.43 2.45 0.02 0.38 -2.63 113.55 114.06 1y9i h SER 161 Ca 0.06 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1y9i h SER 161 Cb 0.78 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1y9i h SER 161 CO 0.06 0.38 0.21 1.88 -1.14 0.00 0.00 176.83 178.23 1y9i h TYR 162 N 0.05 0.39 -0.75 3.45 -1.99 -1.28 -2.35 116.97 114.49 1y9i h TYR 162 Ca 0.05 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.88 1y9i h TYR 162 Cb 0.24 -0.11 -0.07 0.00 2.00 0.00 0.00 36.73 38.79 1y9i h TYR 162 CO 0.00 0.20 0.40 1.25 -0.00 0.00 0.00 178.16 180.02 1y9i h HIS 163 N 0.43 0.73 0.00 4.88 2.76 -1.50 -3.52 115.15 118.92 1y9i h HIS 163 Ca 0.18 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1y9i h HIS 163 Cb 0.09 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1y9i h HIS 163 CO -0.10 0.29 0.00 -0.40 -1.30 0.00 0.00 177.93 176.42