#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8r n GLY 10 N 0.00 5.96 3.33 -0.02 0.00 -1.26 -5.02 105.19 108.18 1y8r n GLY 10 Ca 0.00 -2.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.11 1y8r n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1y8r s ILE 11 N -5.28 1.88 1.23 -0.61 -4.36 -1.26 -5.14 121.20 107.65 1y8r s ILE 11 Ca 0.50 -1.77 -0.20 0.00 -0.26 0.00 0.00 60.65 58.91 1y8r s ILE 11 Cb 0.41 -1.78 0.32 0.00 1.25 0.00 0.00 42.46 42.66 1y8r s ILE 11 CO -0.20 -0.16 0.71 -1.54 0.24 0.00 0.00 174.94 174.00 1y8r n SER 12 N 0.64 -3.81 0.02 4.36 3.41 -1.26 -4.84 113.62 112.15 1y8r n SER 12 Ca -0.16 -0.72 -0.07 0.00 -0.26 0.00 0.00 58.87 57.65 1y8r n SER 12 Cb 0.55 -0.83 -0.13 0.00 -0.26 0.00 0.00 64.21 63.54 1y8r n SER 12 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1y8r h GLU 13 N 0.00 0.00 -0.24 4.33 4.39 -2.00 -3.14 114.58 117.92 1y8r h GLU 13 Ca -0.32 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.18 1y8r h GLU 13 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1y8r h GLU 13 CO 0.19 0.75 -0.61 1.49 -1.16 0.00 0.00 179.01 179.68 1y8r h GLU 14 N 0.00 0.80 -0.33 2.33 4.81 -1.98 -2.55 114.58 117.67 1y8r h GLU 14 Ca -0.14 -0.54 -0.05 0.00 -0.13 0.00 0.00 59.36 58.50 1y8r h GLU 14 Cb 1.87 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 1y8r h GLU 14 CO 0.10 1.17 0.00 0.93 -0.73 0.00 0.00 179.01 180.49 1y8r h GLU 15 N 0.60 0.58 0.00 1.92 5.08 -1.93 0.16 114.58 120.98 1y8r h GLU 15 Ca -0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1y8r h GLU 15 Cb 1.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1y8r h GLU 15 CO 0.13 0.70 -0.13 0.00 -1.00 0.00 0.00 179.01 178.71 1y8r h ALA 16 N 0.85 1.45 0.00 3.43 0.00 -1.58 0.31 119.26 123.73 1y8r h ALA 16 Ca 0.09 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1y8r h ALA 16 Cb 0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1y8r h ALA 16 CO 0.02 0.16 -1.28 0.00 0.00 0.00 0.00 179.25 178.14 1y8r h ALA 17 N 1.87 0.65 -0.01 0.00 0.00 -0.99 -2.80 119.26 117.99 1y8r h ALA 17 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1y8r h ALA 17 Cb 0.29 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1y8r h ALA 17 CO 0.02 0.91 -0.63 0.00 0.00 0.00 0.00 179.25 179.54 1y8r n GLN 18 N -2.95 1.11 0.00 0.00 10.64 0.51 -4.24 117.38 122.45 1y8r n GLN 18 Ca -0.08 -0.53 0.04 0.00 -1.83 0.00 0.00 57.00 54.60 1y8r n GLN 18 Cb 0.83 -1.40 0.02 0.00 -0.86 0.00 0.00 30.24 28.84 1y8r n GLN 18 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1y8r n TYR 19 N -0.66 0.00 -0.29 2.61 0.53 0.11 -4.78 117.16 114.67 1y8r n TYR 19 Ca 0.06 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.86 1y8r n TYR 19 Cb 0.37 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.60 1y8r n TYR 19 CO 0.00 0.00 0.00 0.22 -1.02 0.00 0.00 176.86 176.06 1y8r h ASP 20 N 1.41 -1.54 -0.91 7.72 1.82 -1.67 0.72 116.42 123.97 1y8r h ASP 20 Ca 0.00 0.23 0.23 0.00 -0.39 0.00 0.00 57.03 57.10 1y8r h ASP 20 Cb 0.32 0.68 -0.13 0.00 0.68 0.00 0.00 39.33 40.88 1y8r h ASP 20 CO 0.00 -0.17 0.42 0.03 -1.61 0.00 0.00 179.24 177.91 1y8r h ARG 21 N -0.01 0.41 0.00 0.28 2.47 -1.89 0.19 114.38 115.82 1y8r h ARG 21 Ca 0.11 -0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 1y8r h ARG 21 Cb 0.30 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1y8r h ARG 21 CO -0.66 0.27 -0.86 -0.56 0.56 0.00 0.00 179.97 178.72 1y8r h GLN 22 N 0.42 0.00 -0.73 0.04 3.07 -1.43 -3.22 115.11 113.26 1y8r h GLN 22 Ca 0.58 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.25 1y8r h GLN 22 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.64 1y8r h GLN 22 CO -0.53 0.26 0.19 0.82 0.09 0.00 0.00 178.83 179.67 1y8r h ILE 23 N 0.00 1.26 0.00 1.86 2.04 0.31 -1.34 117.51 121.64 1y8r h ILE 23 Ca -0.06 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1y8r h ILE 23 Cb 1.33 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1y8r h ILE 23 CO 0.04 0.37 0.00 0.54 0.00 0.00 0.00 178.15 179.10 1y8r n ARG 24 N -4.23 0.05 0.00 2.37 1.74 0.39 -0.78 116.66 116.19 1y8r n ARG 24 Ca 0.06 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1y8r n ARG 24 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1y8r n ARG 24 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1y8r n LEU 25 N -1.38 0.00 -0.66 0.55 7.94 -0.53 -4.70 117.00 118.22 1y8r n LEU 25 Ca 0.02 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.99 1y8r n LEU 25 Cb 0.05 -0.33 0.20 0.00 0.53 0.00 0.00 43.42 43.86 1y8r n LEU 25 CO 0.05 -0.33 0.66 -2.67 -1.11 0.00 0.00 177.39 173.98 1y8r n TRP 26 N -2.17 0.45 0.00 1.96 2.14 -1.04 -5.04 117.44 113.74 1y8r n TRP 26 Ca 0.00 -0.22 0.00 0.00 2.07 0.00 0.00 57.50 59.35 1y8r n TRP 26 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1y8r n TRP 26 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1y8r n GLY 27 N 1.09 -2.46 0.43 -1.67 0.00 0.04 -4.17 105.19 98.46 1y8r n GLY 27 Ca 0.13 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 1y8r n GLY 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1y8r h LEU 28 N 0.00 -1.01 -0.59 0.99 6.46 -1.93 -2.89 115.31 116.33 1y8r h LEU 28 Ca 0.00 0.06 0.12 0.00 -0.12 0.00 0.00 57.88 57.94 1y8r h LEU 28 Cb 0.00 0.31 -0.11 0.00 -0.73 0.00 0.00 40.66 40.13 1y8r h LEU 28 CO 0.00 -0.60 -0.10 -0.33 -0.62 0.00 0.00 178.44 176.79 1y8r h GLU 29 N -0.94 0.03 -0.96 1.25 4.39 -1.96 0.14 114.58 116.53 1y8r h GLU 29 Ca -0.07 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.77 1y8r h GLU 29 Cb 0.78 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.33 1y8r h GLU 29 CO 0.05 0.02 0.58 0.00 -1.16 0.00 0.00 179.01 178.50 1y8r h ALA 30 N 1.58 1.48 -0.42 3.43 0.00 -1.70 0.43 119.26 124.05 1y8r h ALA 30 Ca 0.29 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1y8r h ALA 30 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1y8r h ALA 30 CO -0.58 0.09 0.09 0.37 0.00 0.00 0.00 179.25 179.22 1y8r h GLN 31 N 0.85 0.69 -0.50 0.00 5.75 -0.61 -2.12 115.11 119.16 1y8r h GLN 31 Ca 0.50 -0.17 0.08 0.00 -0.15 0.00 0.00 58.65 58.91 1y8r h GLN 31 Cb 0.61 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.01 1y8r h GLN 31 CO -0.31 0.71 0.15 0.87 -2.65 0.00 0.00 178.83 177.60 1y8r h LYS 32 N 0.55 0.30 -0.52 1.69 1.57 0.18 0.16 116.57 120.50 1y8r h LYS 32 Ca 0.13 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1y8r h LYS 32 Cb 0.34 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1y8r h LYS 32 CO 0.00 0.20 0.31 0.00 -0.57 0.00 0.00 179.45 179.39 1y8r h ARG 33 N 0.31 0.59 -0.43 3.15 3.08 -0.66 -1.86 114.38 118.55 1y8r h ARG 33 Ca 0.25 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.30 1y8r h ARG 33 Cb 0.29 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1y8r h ARG 33 CO -0.28 0.39 0.20 1.25 -1.07 0.00 0.00 179.97 180.46 1y8r h LEU 34 N 0.61 0.28 -1.76 3.04 5.85 -0.54 -1.19 115.31 121.59 1y8r h LEU 34 Ca 0.21 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1y8r h LEU 34 Cb 0.04 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1y8r h LEU 34 CO -0.11 0.20 0.23 -0.09 -0.34 0.00 0.00 178.44 178.34 1y8r h ARG 35 N 0.41 0.00 -0.28 1.25 2.43 0.12 0.17 114.38 118.47 1y8r h ARG 35 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1y8r h ARG 35 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1y8r h ARG 35 CO -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.31 1y8r n ALA 36 N -1.81 2.52 -2.74 2.80 0.00 -0.46 -3.48 120.51 117.33 1y8r n ALA 36 Ca -0.02 -1.68 -0.35 0.00 0.00 0.00 0.00 53.44 51.40 1y8r n ALA 36 Cb 0.28 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 1y8r n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y8r s SER 37 N -1.45 5.55 -0.15 0.00 0.01 0.60 -4.86 113.70 113.39 1y8r s SER 37 Ca 0.30 0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.78 1y8r s SER 37 Cb 0.21 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.82 1y8r s SER 37 CO 0.12 0.37 -0.17 -0.60 0.41 0.00 0.00 173.24 173.36 1y8r s ARG 38 N -1.06 3.15 0.04 12.44 3.52 -1.26 -1.31 118.95 134.48 1y8r s ARG 38 Ca 0.15 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 1y8r s ARG 38 Cb -0.12 -2.56 -0.03 0.00 -1.56 0.00 0.00 34.95 30.68 1y8r s ARG 38 CO 0.05 0.00 -0.11 0.08 -0.81 0.00 0.00 175.30 174.51 1y8r s VAL 39 N 0.82 3.34 -0.21 7.11 1.01 -0.07 -0.32 120.40 132.08 1y8r s VAL 39 Ca -0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1y8r s VAL 39 Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1y8r s VAL 39 CO -0.01 0.31 -0.09 -0.22 0.00 0.00 0.00 175.10 175.09 1y8r s LEU 40 N -1.63 2.68 -0.18 3.92 1.98 -0.85 -1.55 118.68 123.06 1y8r s LEU 40 Ca 0.18 -0.50 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 1y8r s LEU 40 Cb -0.11 -1.66 0.01 0.00 0.66 0.00 0.00 46.19 45.09 1y8r s LEU 40 CO 0.09 -0.02 -0.17 -0.22 -1.89 0.00 0.00 176.35 174.14 1y8r s LEU 41 N 1.41 2.31 -0.11 -0.68 2.96 -0.96 -0.65 118.68 122.95 1y8r s LEU 41 Ca 0.05 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1y8r s LEU 41 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1y8r s LEU 41 CO -0.06 0.02 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 1y8r s VAL 42 N 1.19 3.94 0.00 1.68 1.01 -0.46 -0.51 120.40 127.25 1y8r s VAL 42 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1y8r s VAL 42 Cb -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1y8r s VAL 42 CO -0.08 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1y8r n GLY 43 N 2.84 -0.73 3.09 4.51 0.00 -0.06 -1.70 105.19 113.14 1y8r n GLY 43 Ca -0.18 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1y8r n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y8r n LEU 44 N 0.00 6.06 0.00 0.99 7.99 -1.26 -3.93 117.00 126.85 1y8r n LEU 44 Ca 0.00 -5.17 0.00 0.00 -0.01 0.00 0.00 56.01 50.83 1y8r n LEU 44 Cb 0.00 -1.32 0.00 0.00 -0.11 0.00 0.00 43.42 41.99 1y8r n LEU 44 CO 0.00 1.60 0.00 0.29 -1.51 0.00 0.00 177.39 177.77 1y8r n LYS 45 N 1.73 2.78 0.00 3.23 5.02 -1.26 -4.80 118.16 124.86 1y8r n LYS 45 Ca 0.25 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.51 1y8r n LYS 45 Cb 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.34 1y8r n LYS 45 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1y8r h GLY 46 N 0.00 -1.42 1.51 0.72 0.00 -1.92 0.11 103.07 102.06 1y8r h GLY 46 Ca 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 47.33 47.94 1y8r h GLY 46 CO 0.00 -0.50 0.07 -2.00 0.00 0.00 0.00 176.54 174.12 1y8r h LEU 47 N -0.14 0.57 0.07 3.11 5.85 -1.92 -2.92 115.31 119.94 1y8r h LEU 47 Ca 0.01 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1y8r h LEU 47 Cb 0.15 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1y8r h LEU 47 CO -0.09 0.60 -0.13 1.23 -0.34 0.00 0.00 178.44 179.70 1y8r h GLY 48 N 0.85 -0.23 0.95 3.75 0.00 -1.52 -2.17 103.07 104.70 1y8r h GLY 48 Ca 0.13 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1y8r h GLY 48 CO 0.00 -0.13 0.16 0.00 0.00 0.00 0.00 176.54 176.56 1y8r h ALA 49 N 0.63 0.54 -0.14 3.60 0.00 -0.72 -1.93 119.26 121.24 1y8r h ALA 49 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1y8r h ALA 49 Cb 0.28 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1y8r h ALA 49 CO -0.08 0.16 -0.45 0.93 0.00 0.00 0.00 179.25 179.81 1y8r h GLU 50 N 0.53 -0.49 -0.42 0.00 4.39 -1.37 0.20 114.58 117.42 1y8r h GLU 50 Ca 0.14 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.93 1y8r h GLU 50 Cb 0.21 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 1y8r h GLU 50 CO -0.01 -0.33 0.13 0.82 -1.16 0.00 0.00 179.01 178.46 1y8r h ILE 51 N -0.51 0.84 -0.11 3.13 2.04 -1.29 -1.55 117.51 120.06 1y8r h ILE 51 Ca 0.07 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1y8r h ILE 51 Cb 0.64 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1y8r h ILE 51 CO -0.41 0.05 -0.50 0.00 0.00 0.00 0.00 178.15 177.28 1y8r h ALA 52 N 1.29 -0.80 -0.44 1.87 0.00 -0.48 -0.59 119.26 120.12 1y8r h ALA 52 Ca 0.20 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1y8r h ALA 52 Cb 0.21 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1y8r h ALA 52 CO -0.22 -1.04 -0.18 -0.22 0.00 0.00 0.00 179.25 177.59 1y8r h LYS 53 N -0.57 -0.09 -0.39 0.00 3.11 -0.15 -0.23 116.57 118.25 1y8r h LYS 53 Ca 0.05 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.94 1y8r h LYS 53 Cb 0.67 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.88 1y8r h LYS 53 CO -0.42 -0.06 0.14 -0.91 -2.81 0.00 0.00 179.45 175.39 1y8r h ASN 54 N -0.09 0.15 -0.31 4.20 2.35 -0.67 -0.29 115.58 120.91 1y8r h ASN 54 Ca 0.21 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 1y8r h ASN 54 Cb 0.42 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1y8r h ASN 54 CO -0.50 0.12 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.24 1y8r h LEU 55 N 0.29 0.62 -0.65 1.61 3.38 -0.60 0.25 115.31 120.22 1y8r h LEU 55 Ca 0.18 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1y8r h LEU 55 Cb 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1y8r h LEU 55 CO -0.18 0.85 0.40 0.40 0.09 0.00 0.00 178.44 180.01 1y8r h ILE 56 N 0.37 1.09 -0.38 1.22 2.04 -0.83 -1.15 117.51 119.87 1y8r h ILE 56 Ca 0.08 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1y8r h ILE 56 Cb 0.59 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1y8r h ILE 56 CO 0.03 0.15 -0.19 -0.07 0.00 0.00 0.00 178.15 178.07 1y8r h LEU 57 N 0.80 0.73 -1.66 1.44 3.38 -0.91 -2.89 115.31 116.20 1y8r h LEU 57 Ca 0.26 -0.25 0.17 0.00 0.09 0.00 0.00 57.88 58.15 1y8r h LEU 57 Cb 0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1y8r h LEU 57 CO -0.10 0.92 0.52 0.00 0.09 0.00 0.00 178.44 179.87 1y8r h ALA 58 N 1.14 2.26 0.00 1.53 0.00 0.31 -3.46 119.26 121.04 1y8r h ALA 58 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y8r h ALA 58 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1y8r h ALA 58 CO 0.05 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.23 1y8r n GLY 59 N -1.56 1.77 3.77 0.00 0.00 -0.95 -4.98 105.19 103.24 1y8r n GLY 59 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1y8r n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y8r s VAL 60 N -2.00 3.28 0.15 1.61 -7.23 -1.22 -3.63 120.40 111.36 1y8r s VAL 60 Ca 0.00 0.59 -0.17 0.00 -1.81 0.00 0.00 61.98 60.60 1y8r s VAL 60 Cb 0.00 -3.12 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1y8r s VAL 60 CO 0.00 -0.37 1.75 0.50 -0.31 0.00 0.00 175.10 176.67 1y8r h LYS 61 N 0.05 0.26 -1.89 4.82 3.64 -1.14 -3.41 116.57 118.89 1y8r h LYS 61 Ca -0.47 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1y8r h LYS 61 Cb 1.24 -0.06 -0.20 0.00 -0.41 0.00 0.00 32.23 32.81 1y8r h LYS 61 CO 0.54 0.17 0.41 0.20 -2.27 0.00 0.00 179.45 178.50 1y8r s GLY 62 N -2.69 -0.42 0.09 5.01 0.00 -1.12 -1.35 107.32 106.84 1y8r s GLY 62 Ca -0.13 1.57 0.07 0.00 0.00 0.00 0.00 44.72 46.22 1y8r s GLY 62 CO 0.71 0.86 -0.18 -2.27 0.00 0.00 0.00 173.10 172.22 1y8r s LEU 63 N -1.43 2.29 -0.26 0.66 2.96 -0.70 -0.89 118.68 121.31 1y8r s LEU 63 Ca -0.04 -0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1y8r s LEU 63 Cb -0.00 -0.71 0.08 0.00 0.50 0.00 0.00 46.19 46.06 1y8r s LEU 63 CO 0.02 -0.01 0.08 -0.89 -1.32 0.00 0.00 176.35 174.23 1y8r s THR 64 N -1.22 0.56 -0.11 3.68 2.01 -0.60 -0.57 115.64 119.40 1y8r s THR 64 Ca 0.03 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 60.82 1y8r s THR 64 Cb -0.10 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1y8r s THR 64 CO 0.03 -0.48 0.94 -0.04 -0.69 0.00 0.00 174.62 174.38 1y8r s MET 65 N 1.80 4.40 -0.12 4.92 1.00 -0.20 -2.28 119.30 128.83 1y8r s MET 65 Ca 0.05 1.26 0.01 0.00 0.00 0.00 0.00 55.69 57.01 1y8r s MET 65 Cb -0.17 -3.54 0.02 0.00 0.00 0.00 0.00 34.83 31.14 1y8r s MET 65 CO -0.20 -0.27 -0.14 -1.17 0.00 0.00 0.00 175.02 173.24 1y8r s LEU 66 N 1.88 1.67 -0.20 -0.03 0.20 0.33 -1.37 118.68 121.16 1y8r s LEU 66 Ca 0.45 -0.43 -0.07 0.00 0.69 0.00 0.00 54.13 54.77 1y8r s LEU 66 Cb -0.18 -1.09 0.09 0.00 -0.43 0.00 0.00 46.19 44.58 1y8r s LEU 66 CO 0.17 -0.02 0.43 -0.62 -0.29 0.00 0.00 176.35 176.03 1y8r s ASP 67 N 1.18 -0.32 0.32 3.68 -1.08 -0.95 -0.88 116.67 118.62 1y8r s ASP 67 Ca -0.02 1.02 0.17 0.00 -0.52 0.00 0.00 52.55 53.19 1y8r s ASP 67 Cb -0.14 1.36 0.20 0.00 -1.46 0.00 0.00 42.92 42.87 1y8r s ASP 67 CO -0.05 -0.23 1.51 -0.74 0.52 0.00 0.00 175.17 176.19 1y8r h HIS 68 N 8.08 0.00 -3.71 -5.34 -0.00 -1.80 -3.39 115.15 108.99 1y8r h HIS 68 Ca -0.17 0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 59.73 1y8r h HIS 68 Cb 1.11 0.00 0.20 0.00 -0.00 0.00 0.00 27.41 28.72 1y8r h HIS 68 CO 0.27 0.40 0.12 -1.21 -0.00 0.00 0.00 177.93 177.51 1y8r s GLU 69 N -3.07 0.02 0.38 5.26 0.41 -1.26 -4.91 118.70 115.52 1y8r s GLU 69 Ca 0.04 1.05 0.07 0.00 -0.41 0.00 0.00 54.97 55.73 1y8r s GLU 69 Cb 0.07 -1.65 -0.01 0.00 -1.78 0.00 0.00 34.13 30.77 1y8r s GLU 69 CO 0.72 -3.15 0.47 -0.65 -0.49 0.00 0.00 175.26 172.15 1y8r s GLN 70 N -4.60 2.88 -0.68 1.61 -1.52 -1.26 -2.83 119.66 113.26 1y8r s GLN 70 Ca 0.67 -1.20 -0.25 0.00 -1.95 0.00 0.00 55.36 52.63 1y8r s GLN 70 Cb -0.23 -2.69 0.05 0.00 -0.22 0.00 0.00 33.01 29.92 1y8r s GLN 70 CO 0.61 -0.08 1.11 0.08 -0.25 0.00 0.00 175.29 176.76 1y8r s VAL 71 N -2.29 4.06 0.90 1.09 1.01 -0.57 -4.60 120.40 120.00 1y8r s VAL 71 Ca 0.48 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1y8r s VAL 71 Cb -0.08 -4.77 0.13 0.00 0.00 0.00 0.00 36.38 31.66 1y8r s VAL 71 CO 0.31 -1.59 1.09 0.42 0.00 0.00 0.00 175.10 175.33 1y8r s THR 72 N 4.80 2.65 -1.04 3.92 -4.23 -1.26 -1.06 115.64 119.42 1y8r s THR 72 Ca 0.29 0.21 0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1y8r s THR 72 Cb -0.12 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.14 1y8r s THR 72 CO 0.14 -0.27 1.21 -2.65 -0.54 0.00 0.00 174.62 172.50 1y8r n PRO 73 N -3.93 0.01 -0.19 3.99 -0.02 -1.26 -2.23 135.00 131.37 1y8r n PRO 73 Ca 0.07 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1y8r n PRO 73 Cb 0.55 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.67 1y8r n PRO 73 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1y8r n GLU 74 N -1.48 2.87 -0.05 -0.52 4.71 -1.26 -4.70 120.64 120.21 1y8r n GLU 74 Ca 0.02 -2.09 -0.18 0.00 -0.01 0.00 0.00 57.16 54.90 1y8r n GLU 74 Cb 0.08 -1.31 -0.13 0.00 -1.01 0.00 0.00 31.44 29.07 1y8r n GLU 74 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1y8r h ASP 75 N 1.71 0.11 -0.10 1.62 3.45 -1.80 -3.36 116.42 118.04 1y8r h ASP 75 Ca 0.00 -0.86 0.03 0.00 0.43 0.00 0.00 57.03 56.63 1y8r h ASP 75 Cb 0.80 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.53 1y8r h ASP 75 CO 0.03 1.25 0.11 1.55 -1.57 0.00 0.00 179.24 180.61 1y8r h PRO 76 N -0.83 0.00 0.00 3.56 0.13 -1.80 0.19 132.00 133.24 1y8r h PRO 76 Ca -0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.94 1y8r h PRO 76 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1y8r h PRO 76 CO -0.02 0.00 -0.24 0.78 -0.23 0.00 0.00 178.00 178.29 1y8r h GLY 77 N 0.00 0.00 -0.08 1.56 0.00 -1.88 -3.07 103.07 99.60 1y8r h GLY 77 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1y8r h GLY 77 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1y8r n ALA 78 N -2.33 2.49 -3.86 3.60 0.00 -0.67 -4.95 120.51 114.80 1y8r n ALA 78 Ca -0.01 -0.52 -0.34 0.00 0.00 0.00 0.00 53.44 52.57 1y8r n ALA 78 Cb 0.35 -0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 1y8r n ALA 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1y8r s GLN 79 N -0.09 2.74 0.00 0.00 -0.44 0.57 -4.53 119.66 117.91 1y8r s GLN 79 Ca 0.01 -1.03 0.13 0.00 -2.50 0.00 0.00 55.36 51.98 1y8r s GLN 79 Cb 0.01 -2.90 0.39 0.00 -1.64 0.00 0.00 33.01 28.88 1y8r s GLN 79 CO 0.01 -0.40 1.32 1.97 0.50 0.00 0.00 175.29 178.69 1y8r n PHE 80 N 4.61 0.47 -0.02 1.67 1.16 -1.26 -3.72 117.46 120.37 1y8r n PHE 80 Ca -0.17 -0.23 0.04 0.00 -1.87 0.00 0.00 57.45 55.22 1y8r n PHE 80 Cb 0.47 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.23 1y8r n PHE 80 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1y8r n LEU 81 N 0.58 0.00 -4.70 5.98 4.77 -1.26 -4.95 117.00 117.43 1y8r n LEU 81 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1y8r n LEU 81 Cb 0.33 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1y8r n LEU 81 CO 0.09 0.06 0.68 -0.63 -1.33 0.00 0.00 177.39 176.27 1y8r s ILE 82 N -2.83 4.86 0.42 -0.08 1.01 -1.24 -4.37 121.20 118.96 1y8r s ILE 82 Ca -0.05 1.93 -0.23 0.00 0.00 0.00 0.00 60.65 62.29 1y8r s ILE 82 Cb 0.08 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 1y8r s ILE 82 CO 0.56 0.09 1.07 -0.13 0.00 0.00 0.00 174.94 176.53 1y8r s ARG 83 N 1.53 4.05 0.33 2.79 0.52 -1.20 -4.89 118.95 122.08 1y8r s ARG 83 Ca 0.47 1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 56.94 1y8r s ARG 83 Cb -0.19 -2.47 -0.11 0.00 0.52 0.00 0.00 34.95 32.71 1y8r s ARG 83 CO 0.21 -0.25 1.42 0.99 0.02 0.00 0.00 175.30 177.69 1y8r s THR 84 N -1.67 2.41 0.00 0.02 2.01 -1.26 -2.77 115.64 114.37 1y8r s THR 84 Ca 0.60 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1y8r s THR 84 Cb -0.23 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1y8r s THR 84 CO 0.28 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 1y8r n GLY 85 N 1.06 0.95 0.62 4.40 0.00 -1.26 -4.96 105.19 105.99 1y8r n GLY 85 Ca 0.02 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.56 1y8r n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1y8r n SER 86 N 1.17 2.38 -4.64 1.61 7.64 -1.12 -4.93 113.62 115.73 1y8r n SER 86 Ca 0.00 -1.67 -0.43 0.00 1.01 0.00 0.00 58.87 57.78 1y8r n SER 86 Cb 0.23 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1y8r n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1y8r n VAL 87 N 0.80 0.64 0.00 0.44 0.31 -1.26 -0.34 118.33 118.93 1y8r n VAL 87 Ca 0.10 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1y8r n VAL 87 Cb 0.38 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 30.96 1y8r n VAL 87 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y8r n GLY 88 N 4.89 2.17 3.41 2.92 0.00 -0.22 -4.95 105.19 113.41 1y8r n GLY 88 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1y8r n GLY 88 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1y8r n ARG 89 N -0.02 -2.94 -2.81 1.61 0.63 0.54 -4.54 116.66 109.13 1y8r n ARG 89 Ca 0.00 -1.71 -0.41 0.00 -0.92 0.00 0.00 57.85 54.80 1y8r n ARG 89 Cb 0.00 -1.56 -0.03 0.00 0.45 0.00 0.00 32.46 31.31 1y8r n ARG 89 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1y8r s ASN 90 N -4.46 7.24 0.20 6.15 3.84 -1.26 -1.51 114.94 125.14 1y8r s ASN 90 Ca 0.69 1.50 -0.11 0.00 0.21 0.00 0.00 52.86 55.15 1y8r s ASN 90 Cb -0.06 -2.52 0.24 0.00 -0.55 0.00 0.00 41.25 38.36 1y8r s ASN 90 CO 0.53 -0.24 1.73 -0.09 -2.79 0.00 0.00 177.10 176.23 1y8r h ARG 91 N 6.84 0.33 0.45 0.43 2.43 -1.77 0.73 114.38 123.81 1y8r h ARG 91 Ca -0.40 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1y8r h ARG 91 Cb 1.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1y8r h ARG 91 CO 0.76 0.22 -0.22 0.00 -1.51 0.00 0.00 179.97 179.22 1y8r h ALA 92 N 1.41 -0.60 -0.73 2.80 0.00 -1.83 -3.10 119.26 117.21 1y8r h ALA 92 Ca 0.28 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1y8r h ALA 92 Cb 0.36 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1y8r h ALA 92 CO -0.31 -0.68 0.08 0.93 0.00 0.00 0.00 179.25 179.27 1y8r h GLU 93 N -0.92 0.16 0.00 0.00 5.08 -1.77 0.94 114.58 118.07 1y8r h GLU 93 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1y8r h GLU 93 Cb 0.57 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1y8r h GLU 93 CO 0.10 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 1y8r n ALA 94 N -2.80 1.53 -0.06 3.43 0.00 0.25 -2.61 120.51 120.25 1y8r n ALA 94 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 1y8r n ALA 94 Cb 0.46 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 1y8r n ALA 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y8r n SER 95 N -1.27 2.23 -0.27 0.00 7.64 0.31 -3.22 113.62 119.05 1y8r n SER 95 Ca 0.04 -0.02 0.15 0.00 1.01 0.00 0.00 58.87 60.05 1y8r n SER 95 Cb 0.06 0.60 0.29 0.00 -1.01 0.00 0.00 64.21 64.14 1y8r n SER 95 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1y8r n LEU 96 N -2.53 0.00 0.00 -3.43 7.94 -0.61 -1.59 117.00 116.79 1y8r n LEU 96 Ca -0.21 1.32 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 1y8r n LEU 96 Cb 0.87 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1y8r n LEU 96 CO 0.23 -1.37 0.11 1.21 -1.11 0.00 0.00 177.39 176.46 1y8r n GLU 97 N -5.01 0.00 -0.34 1.96 2.13 -1.26 -1.28 120.64 116.84 1y8r n GLU 97 Ca 0.21 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.12 1y8r n GLU 97 Cb 0.70 -0.69 0.19 0.00 0.27 0.00 0.00 31.44 31.92 1y8r n GLU 97 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1y8r n ARG 98 N -0.25 -0.08 -0.14 5.31 1.74 -1.18 0.73 116.66 122.78 1y8r n ARG 98 Ca 0.00 1.47 -0.07 0.00 -0.77 0.00 0.00 57.85 58.48 1y8r n ARG 98 Cb 0.00 -2.25 -0.02 0.00 -1.02 0.00 0.00 32.46 29.17 1y8r n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y8r h ALA 99 N 1.92 -0.19 -0.85 7.54 0.00 -1.36 0.11 119.26 126.42 1y8r h ALA 99 Ca 0.51 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.54 1y8r h ALA 99 Cb 0.90 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1y8r h ALA 99 CO -0.95 -0.74 0.56 0.37 0.00 0.00 0.00 179.25 178.49 1y8r h GLN 100 N -0.24 1.10 -0.33 0.00 5.75 0.17 -2.29 115.11 119.27 1y8r h GLN 100 Ca 0.18 -0.07 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 1y8r h GLN 100 Cb 0.55 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1y8r h GLN 100 CO -0.58 0.73 0.31 -0.91 -2.65 0.00 0.00 178.83 175.73 1y8r h ASN 101 N 1.14 0.00 0.10 -0.69 2.35 0.58 -1.98 115.58 117.07 1y8r h ASN 101 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1y8r h ASN 101 Cb -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1y8r h ASN 101 CO -0.07 0.00 -0.07 -0.07 -1.65 0.00 0.00 177.43 175.57 1y8r h LEU 102 N 0.00 0.00 -6.00 1.61 3.38 -1.06 -3.41 115.31 109.82 1y8r h LEU 102 Ca 0.15 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.28 1y8r h LEU 102 Cb 0.78 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.33 1y8r h LEU 102 CO -0.00 0.07 -0.10 0.21 0.09 0.00 0.00 178.44 178.70 1y8r s ASN 103 N -6.69 -0.90 0.57 -0.43 3.84 -0.74 -4.80 114.94 105.80 1y8r s ASN 103 Ca -0.04 0.33 0.26 0.00 0.21 0.00 0.00 52.86 53.62 1y8r s ASN 103 Cb 0.16 1.66 1.65 0.00 -0.55 0.00 0.00 41.25 44.16 1y8r s ASN 103 CO 0.63 -0.17 2.19 -0.65 -2.79 0.00 0.00 177.10 176.31 1y8r h PRO 104 N 7.81 0.00 0.00 0.43 0.11 -1.82 -0.91 132.00 137.62 1y8r h PRO 104 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1y8r h PRO 104 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1y8r h PRO 104 CO 0.03 0.00 0.00 0.52 -0.21 0.00 0.00 178.00 178.34 1y8r h MET 105 N 0.00 0.00 -5.48 1.05 2.86 -1.95 -3.43 114.93 107.97 1y8r h MET 105 Ca 0.03 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.07 1y8r h MET 105 Cb 0.15 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.71 1y8r h MET 105 CO -0.00 0.00 -0.38 0.08 1.06 0.00 0.00 176.91 177.67 1y8r s VAL 106 N -3.45 5.34 -1.20 -2.22 1.01 -0.35 -4.88 120.40 114.65 1y8r s VAL 106 Ca 0.02 0.43 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 1y8r s VAL 106 Cb 0.09 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.99 1y8r s VAL 106 CO 0.38 0.44 1.57 -0.62 0.00 0.00 0.00 175.10 176.88 1y8r s ASP 107 N 0.17 6.81 -0.19 3.32 -1.08 -0.46 -4.93 116.67 120.31 1y8r s ASP 107 Ca 0.15 -2.34 -0.20 0.00 -0.52 0.00 0.00 52.55 49.63 1y8r s ASP 107 Cb -0.13 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 1y8r s ASP 107 CO 0.03 -1.14 0.60 -0.69 0.52 0.00 0.00 175.17 174.49 1y8r s VAL 108 N 3.68 5.05 0.42 1.11 1.01 -1.26 -1.73 120.40 128.69 1y8r s VAL 108 Ca 0.48 1.12 0.06 0.00 0.00 0.00 0.00 61.98 63.64 1y8r s VAL 108 Cb 0.01 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1y8r s VAL 108 CO 0.01 0.14 0.01 -0.54 0.00 0.00 0.00 175.10 174.73 1y8r s LYS 109 N 1.77 1.97 0.12 2.72 1.02 0.26 -4.97 119.74 122.64 1y8r s LYS 109 Ca 0.28 -2.14 0.04 0.00 0.02 0.00 0.00 55.97 54.17 1y8r s LYS 109 Cb -0.16 -1.56 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 1y8r s LYS 109 CO 0.10 -0.11 -0.10 0.14 -0.92 0.00 0.00 175.35 174.46 1y8r s VAL 110 N -2.78 1.05 -0.15 3.17 -7.23 -1.26 -1.04 120.40 112.17 1y8r s VAL 110 Ca 0.31 -1.85 -0.10 0.00 -1.81 0.00 0.00 61.98 58.53 1y8r s VAL 110 Cb 0.09 -1.60 0.05 0.00 0.56 0.00 0.00 36.38 35.47 1y8r s VAL 110 CO 0.16 -0.65 0.36 -0.62 -0.31 0.00 0.00 175.10 174.04 1y8r s ASP 111 N -2.80 -0.42 0.00 4.85 -1.08 -0.47 -4.91 116.67 111.85 1y8r s ASP 111 Ca 0.11 0.77 0.12 0.00 -0.52 0.00 0.00 52.55 53.03 1y8r s ASP 111 Cb -0.00 0.70 0.14 0.00 -1.46 0.00 0.00 42.92 42.29 1y8r s ASP 111 CO 0.00 -0.16 0.96 0.35 0.52 0.00 0.00 175.17 176.83 1y8r n THR 112 N 3.74 0.16 -2.36 1.71 -2.24 -1.26 -2.25 114.28 111.77 1y8r n THR 112 Ca -0.20 -0.58 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 1y8r n THR 112 Cb 0.56 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.89 1y8r n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1y8r s GLU 113 N -1.03 4.52 0.35 -0.78 0.41 -1.26 -4.08 118.70 116.83 1y8r s GLU 113 Ca 0.16 1.91 -0.29 0.00 -0.41 0.00 0.00 54.97 56.35 1y8r s GLU 113 Cb 0.11 -3.19 -0.11 0.00 -1.78 0.00 0.00 34.13 29.16 1y8r s GLU 113 CO 0.16 0.01 1.50 0.34 -0.49 0.00 0.00 175.26 176.77 1y8r s ASP 114 N -0.36 6.38 0.45 -0.19 -1.08 -1.26 -4.53 116.67 116.08 1y8r s ASP 114 Ca 0.49 3.00 0.15 0.00 -0.52 0.00 0.00 52.55 55.67 1y8r s ASP 114 Cb -0.34 -2.66 1.03 0.00 -1.46 0.00 0.00 42.92 39.50 1y8r s ASP 114 CO 0.41 -0.86 2.00 -0.29 0.52 0.00 0.00 175.17 176.95 1y8r h ILE 115 N 3.08 1.10 0.00 4.11 6.09 -1.96 -2.68 117.51 127.25 1y8r h ILE 115 Ca -0.50 -0.61 -0.06 0.00 -1.37 0.00 0.00 64.86 62.33 1y8r h ILE 115 Cb 1.23 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.85 1y8r h ILE 115 CO 0.68 0.17 -0.27 -0.33 -3.07 0.00 0.00 178.15 175.33 1y8r h GLU 116 N 0.00 0.00 -1.20 2.19 5.08 -1.99 -2.83 114.58 115.84 1y8r h GLU 116 Ca -0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1y8r h GLU 116 Cb 0.32 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.29 1y8r h GLU 116 CO 0.02 0.27 0.86 1.63 -1.00 0.00 0.00 179.01 180.79 1y8r n LYS 117 N -4.09 2.63 -4.63 2.33 5.02 -1.01 -4.92 118.16 113.49 1y8r n LYS 117 Ca -0.02 -3.18 -0.33 0.00 -2.02 0.00 0.00 58.31 52.76 1y8r n LYS 117 Cb 0.33 -2.23 -0.15 0.00 -0.02 0.00 0.00 35.03 32.95 1y8r n LYS 117 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1y8r s LYS 118 N -3.68 3.25 0.46 1.97 2.47 -1.07 -4.90 119.74 118.24 1y8r s LYS 118 Ca 0.60 -0.74 -0.24 0.00 -1.56 0.00 0.00 55.97 54.04 1y8r s LYS 118 Cb 0.48 -2.61 -0.07 0.00 -1.46 0.00 0.00 37.83 34.16 1y8r s LYS 118 CO -0.07 0.08 1.27 -1.25 0.16 0.00 0.00 175.35 175.54 1y8r s PRO 119 N 0.67 3.68 0.59 4.03 0.04 -1.26 -4.88 135.00 137.87 1y8r s PRO 119 Ca -0.08 2.05 0.30 0.00 0.04 0.00 0.00 61.00 63.31 1y8r s PRO 119 Cb -0.16 -2.51 1.38 0.00 0.04 0.00 0.00 34.50 33.25 1y8r s PRO 119 CO 0.02 -0.69 1.77 1.49 0.04 0.00 0.00 177.00 179.62 1y8r h GLU 120 N 2.16 0.00 0.00 4.56 4.81 -2.00 0.51 114.58 124.61 1y8r h GLU 120 Ca -0.50 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1y8r h GLU 120 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1y8r h GLU 120 CO 0.60 0.00 -0.41 0.66 -0.73 0.00 0.00 179.01 179.14 1y8r h SER 121 N 0.00 0.00 -0.26 1.04 4.64 -2.02 -3.19 113.55 113.76 1y8r h SER 121 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1y8r h SER 121 Cb 1.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.75 1y8r h SER 121 CO -0.00 0.41 0.12 0.15 -0.87 0.00 0.00 176.83 176.64 1y8r h PHE 122 N 0.00 0.43 -0.01 4.77 3.57 -0.33 -3.18 116.94 122.19 1y8r h PHE 122 Ca -0.00 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1y8r h PHE 122 Cb 0.97 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.58 1y8r h PHE 122 CO 0.00 0.34 -0.49 0.74 -2.23 0.00 0.00 178.31 176.67 1y8r h PHE 123 N 0.44 0.51 -1.51 0.41 -1.00 -1.67 -3.33 116.94 110.78 1y8r h PHE 123 Ca 0.11 -0.27 0.44 0.00 2.81 0.00 0.00 57.97 61.06 1y8r h PHE 123 Cb 0.10 -0.06 -0.06 0.00 3.61 0.00 0.00 35.95 39.53 1y8r h PHE 123 CO 0.00 1.08 1.22 1.79 -1.61 0.00 0.00 178.31 180.80 1y8r h THR 124 N -0.20 0.10 0.00 -1.55 1.35 -1.66 0.52 112.91 111.46 1y8r h THR 124 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1y8r h THR 124 Cb 1.21 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1y8r h THR 124 CO 0.10 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 1y8r n GLN 125 N -3.79 0.00 -4.06 4.72 10.64 -1.25 -4.77 117.38 118.87 1y8r n GLN 125 Ca 0.34 0.28 -0.24 0.00 -1.83 0.00 0.00 57.00 55.55 1y8r n GLN 125 Cb 1.69 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 29.52 1y8r n GLN 125 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1y8r s PHE 126 N -3.00 3.23 -0.15 2.61 0.40 0.18 -4.89 117.98 116.36 1y8r s PHE 126 Ca 0.06 -0.03 0.17 0.00 -0.60 0.00 0.00 56.93 56.53 1y8r s PHE 126 Cb 0.08 -1.51 -0.24 0.00 0.51 0.00 0.00 43.02 41.86 1y8r s PHE 126 CO 0.23 0.51 0.27 -0.25 0.70 0.00 0.00 175.22 176.68 1y8r n ASP 127 N -0.77 0.25 -3.90 1.36 8.00 0.57 -4.95 116.55 117.10 1y8r n ASP 127 Ca -0.08 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 1y8r n ASP 127 Cb 0.56 0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 42.32 1y8r n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y8r s ALA 128 N -2.59 -0.20 -0.04 2.24 0.00 -1.21 -3.32 121.76 116.64 1y8r s ALA 128 Ca -0.08 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1y8r s ALA 128 Cb 0.07 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1y8r s ALA 128 CO 0.83 -0.21 -0.08 0.08 0.00 0.00 0.00 175.76 176.38 1y8r s VAL 129 N -1.53 0.76 -0.12 0.00 1.01 -0.58 -2.00 120.40 117.93 1y8r s VAL 129 Ca -0.14 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1y8r s VAL 129 Cb -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1y8r s VAL 129 CO 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 175.10 175.22 1y8r s LEU 131 N 1.22 3.95 -0.07 0.00 1.02 -0.62 -1.36 118.68 122.82 1y8r s LEU 131 Ca -0.02 0.25 -0.06 0.00 0.02 0.00 0.00 54.13 54.32 1y8r s LEU 131 Cb -0.14 -2.07 0.02 0.00 0.02 0.00 0.00 46.19 44.02 1y8r s LEU 131 CO -0.05 0.35 0.18 -0.89 0.02 0.00 0.00 176.35 175.96 1y8r s THR 132 N -1.04 -0.00 -1.20 5.49 2.01 -0.69 -1.34 115.64 118.87 1y8r s THR 132 Ca 0.17 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1y8r s THR 132 Cb -0.12 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.14 1y8r s THR 132 CO 0.07 0.01 0.70 0.00 -0.69 0.00 0.00 174.62 174.70 1y8r s SER 135 N -3.56 6.34 0.29 0.00 1.04 -1.26 -4.84 113.70 111.71 1y8r s SER 135 Ca 0.30 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.27 1y8r s SER 135 Cb -0.06 -2.49 0.69 0.00 0.10 0.00 0.00 66.02 64.26 1y8r s SER 135 CO 0.18 -0.79 1.71 -0.09 0.98 0.00 0.00 173.24 175.24 1y8r h ARG 136 N 0.21 0.43 0.03 4.02 2.43 -1.96 -0.05 114.38 119.49 1y8r h ARG 136 Ca -0.45 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1y8r h ARG 136 Cb 1.19 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1y8r h ARG 136 CO 0.61 0.29 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.68 1y8r h ASP 137 N 0.44 -0.71 -0.49 -3.80 5.19 -1.97 -1.62 116.42 113.47 1y8r h ASP 137 Ca 0.54 0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 57.00 1y8r h ASP 137 Cb 0.98 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.75 1y8r h ASP 137 CO -0.49 -0.32 0.15 0.58 -3.12 0.00 0.00 179.24 176.04 1y8r h VAL 138 N -0.40 1.22 0.79 -1.35 2.07 -1.48 -1.34 116.25 115.77 1y8r h VAL 138 Ca 0.05 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1y8r h VAL 138 Cb 0.46 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1y8r h VAL 138 CO -0.19 0.29 -0.46 0.40 0.02 0.00 0.00 177.57 177.63 1y8r h ILE 139 N 0.80 0.08 -0.46 4.57 2.04 -0.55 -0.46 117.51 123.51 1y8r h ILE 139 Ca 0.18 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.12 1y8r h ILE 139 Cb 0.27 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.36 1y8r h ILE 139 CO -0.00 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.79 1y8r h VAL 140 N -1.16 0.72 -0.19 1.67 2.07 -1.23 0.13 116.25 118.25 1y8r h VAL 140 Ca -0.10 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1y8r h VAL 140 Cb 0.92 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1y8r h VAL 140 CO 0.13 0.04 -0.26 0.50 0.02 0.00 0.00 177.57 177.99 1y8r h LYS 141 N 0.20 -0.29 -0.20 1.57 1.63 -1.08 0.49 116.57 118.88 1y8r h LYS 141 Ca 0.23 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.90 1y8r h LYS 141 Cb 0.31 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1y8r h LYS 141 CO -0.32 -0.19 -0.51 0.28 -3.45 0.00 0.00 179.45 175.25 1y8r h VAL 142 N -0.30 1.31 -0.40 2.00 2.07 -0.54 -2.41 116.25 117.98 1y8r h VAL 142 Ca 0.12 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 65.93 1y8r h VAL 142 Cb 0.48 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1y8r h VAL 142 CO -0.36 0.54 0.20 -0.78 0.02 0.00 0.00 177.57 177.19 1y8r h ASP 143 N 0.45 0.31 -0.23 0.57 -0.00 -0.25 0.33 116.42 117.59 1y8r h ASP 143 Ca 0.02 0.02 0.02 0.00 -0.00 0.00 0.00 57.03 57.09 1y8r h ASP 143 Cb 1.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 40.31 1y8r h ASP 143 CO 0.10 0.22 0.08 1.56 -0.00 0.00 0.00 179.24 181.19 1y8r h GLN 144 N 0.42 0.17 -0.58 0.28 4.20 -0.83 0.13 115.11 118.89 1y8r h GLN 144 Ca 0.17 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.89 1y8r h GLN 144 Cb 0.06 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1y8r h GLN 144 CO -0.11 0.12 0.36 0.82 -0.67 0.00 0.00 178.83 179.35 1y8r h ILE 145 N 0.18 1.08 -0.64 2.54 2.04 -0.89 -1.85 117.51 119.96 1y8r h ILE 145 Ca 0.10 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1y8r h ILE 145 Cb 0.07 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1y8r h ILE 145 CO -0.10 0.13 0.36 0.00 0.00 0.00 0.00 178.15 178.54 1y8r h HIS 147 N 0.87 1.06 0.24 0.00 -0.00 -0.28 0.91 115.15 117.96 1y8r h HIS 147 Ca 0.23 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1y8r h HIS 147 Cb 0.02 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.12 1y8r h HIS 147 CO -0.01 0.87 -0.17 -0.22 -0.00 0.00 0.00 177.93 178.40 1y8r h LYS 148 N 0.98 -0.37 -0.80 5.26 3.64 -1.17 -1.85 116.57 122.26 1y8r h LYS 148 Ca 0.21 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1y8r h LYS 148 Cb 0.33 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1y8r h LYS 148 CO -0.00 -0.25 0.00 0.09 -2.27 0.00 0.00 179.45 177.02 1y8r n ASN 149 N -3.30 0.83 -3.48 4.20 3.02 -1.13 -4.87 115.26 110.52 1y8r n ASN 149 Ca -0.05 -1.58 -0.25 0.00 -0.03 0.00 0.00 54.58 52.67 1y8r n ASN 149 Cb 0.17 -0.40 0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1y8r n ASN 149 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1y8r n SER 150 N 0.12 -5.83 -3.98 6.41 7.64 -0.69 -5.00 113.62 112.28 1y8r n SER 150 Ca 0.00 -0.38 -0.24 0.00 1.01 0.00 0.00 58.87 59.26 1y8r n SER 150 Cb 0.20 -2.57 -0.17 0.00 -1.01 0.00 0.00 64.21 60.67 1y8r n SER 150 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1y8r s ILE 151 N -2.39 1.02 0.19 0.44 1.01 0.31 -4.99 121.20 116.79 1y8r s ILE 151 Ca 0.17 -0.38 -0.33 0.00 0.00 0.00 0.00 60.65 60.11 1y8r s ILE 151 Cb -0.02 -0.97 -0.14 0.00 0.01 0.00 0.00 42.46 41.34 1y8r s ILE 151 CO 0.86 0.34 1.46 0.29 0.00 0.00 0.00 174.94 177.88 1y8r n LYS 152 N 4.10 1.95 -5.01 2.79 4.01 -1.21 -4.33 118.16 120.46 1y8r n LYS 152 Ca -0.21 0.70 -0.28 0.00 -0.51 0.00 0.00 58.31 58.01 1y8r n LYS 152 Cb 0.51 -2.39 -0.15 0.00 -0.51 0.00 0.00 35.03 32.49 1y8r n LYS 152 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1y8r s PHE 153 N 0.38 2.04 0.11 2.13 5.36 -0.97 -1.53 117.98 125.50 1y8r s PHE 153 Ca 0.74 -0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 56.27 1y8r s PHE 153 Cb -0.70 -1.28 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 1y8r s PHE 153 CO 0.45 0.01 0.14 -0.06 -1.46 0.00 0.00 175.22 174.30 1y8r s PHE 154 N -0.62 0.46 -0.02 10.12 0.40 -0.19 -0.55 117.98 127.59 1y8r s PHE 154 Ca 0.09 -0.89 -0.28 0.00 -0.60 0.00 0.00 56.93 55.25 1y8r s PHE 154 Cb -0.09 -0.23 0.10 0.00 0.51 0.00 0.00 43.02 43.31 1y8r s PHE 154 CO 0.00 -0.55 0.85 -0.08 0.70 0.00 0.00 175.22 176.14 1y8r s THR 155 N -3.95 0.00 -0.20 0.64 -1.32 -0.48 -1.59 115.64 108.74 1y8r s THR 155 Ca 0.13 0.00 -0.36 0.00 -1.21 0.00 0.00 61.69 60.26 1y8r s THR 155 Cb 0.06 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.19 1y8r s THR 155 CO -0.05 0.00 1.23 -0.83 -2.21 0.00 0.00 174.62 172.76 1y8r s GLY 156 N -2.13 -0.28 0.31 6.08 0.00 -0.45 -0.77 107.32 110.08 1y8r s GLY 156 Ca 0.02 1.65 -0.15 0.00 0.00 0.00 0.00 44.72 46.24 1y8r s GLY 156 CO -0.06 0.55 0.63 0.99 0.00 0.00 0.00 173.10 175.22 1y8r s ASP 157 N -2.15 0.02 -0.01 1.64 1.01 -1.07 -4.10 116.67 112.01 1y8r s ASP 157 Ca 0.10 -0.96 0.00 0.00 0.71 0.00 0.00 52.55 52.39 1y8r s ASP 157 Cb -0.01 0.71 0.01 0.00 1.01 0.00 0.00 42.92 44.64 1y8r s ASP 157 CO -0.04 -1.37 0.01 -0.69 0.21 0.00 0.00 175.17 173.29 1y8r s VAL 158 N -3.42 0.00 -0.22 -1.27 1.01 -1.26 -1.26 120.40 113.99 1y8r s VAL 158 Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 1y8r s VAL 158 Cb -0.03 -0.07 0.07 0.00 0.00 0.00 0.00 36.38 36.35 1y8r s VAL 158 CO 0.11 0.05 0.05 -0.36 0.00 0.00 0.00 175.10 174.95 1y8r s PHE 159 N 0.49 1.00 0.00 5.22 0.40 0.23 -4.72 117.98 120.61 1y8r s PHE 159 Ca -0.04 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 1y8r s PHE 159 Cb -0.06 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.38 1y8r s PHE 159 CO -0.01 -0.66 0.00 0.41 0.70 0.00 0.00 175.22 175.66 1y8r n GLY 160 N 5.05 3.59 0.44 4.36 0.00 0.38 -1.43 105.19 117.59 1y8r n GLY 160 Ca -0.08 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1y8r n GLY 160 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1y8r n TYR 161 N 13.76 0.24 -4.39 1.61 4.02 -0.79 -3.86 117.16 127.75 1y8r n TYR 161 Ca 0.00 -0.12 -0.28 0.00 -0.01 0.00 0.00 57.90 57.49 1y8r n TYR 161 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.20 1y8r n TYR 161 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1y8r s HIS 162 N -1.76 2.35 0.17 -0.72 3.76 -0.51 0.12 115.29 118.70 1y8r s HIS 162 Ca 0.26 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.70 1y8r s HIS 162 Cb 0.13 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.62 1y8r s HIS 162 CO 0.20 0.44 0.36 0.20 -0.85 0.00 0.00 174.74 175.09 1y8r s GLY 163 N -2.45 0.27 0.06 -2.22 0.00 -0.89 0.77 107.32 102.87 1y8r s GLY 163 Ca 0.19 -0.66 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 1y8r s GLY 163 CO 0.09 -0.64 0.26 -2.52 0.00 0.00 0.00 173.10 170.29 1y8r s TYR 164 N -3.93 -0.02 -0.03 1.90 -0.85 -0.39 -2.26 117.35 111.76 1y8r s TYR 164 Ca 0.14 -0.21 -0.01 0.00 -0.52 0.00 0.00 57.07 56.46 1y8r s TYR 164 Cb 0.02 0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.43 1y8r s TYR 164 CO -0.01 -0.52 0.07 0.99 -1.52 0.00 0.00 175.55 174.56 1y8r s THR 165 N -2.96 -0.04 0.01 -3.49 2.01 -0.34 -2.60 115.64 108.23 1y8r s THR 165 Ca -0.02 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1y8r s THR 165 Cb 0.01 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.37 1y8r s THR 165 CO -0.06 0.06 -0.13 0.12 -0.69 0.00 0.00 174.62 173.92 1y8r s PHE 166 N 0.83 1.19 0.12 4.92 5.36 0.05 -0.06 117.98 130.38 1y8r s PHE 166 Ca -0.07 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 55.66 1y8r s PHE 166 Cb -0.09 -0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 41.81 1y8r s PHE 166 CO -0.03 0.00 -0.11 0.00 -1.46 0.00 0.00 175.22 173.63 1y8r s ALA 167 N -0.56 1.27 -0.39 11.12 0.00 -0.83 -1.38 121.76 130.99 1y8r s ALA 167 Ca 0.03 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1y8r s ALA 167 Cb -0.06 0.02 0.16 0.00 0.00 0.00 0.00 23.12 23.24 1y8r s ALA 167 CO 0.00 -0.04 0.43 1.21 0.00 0.00 0.00 175.76 177.37 1y8r s ASN 168 N -2.68 0.62 0.00 0.00 2.47 0.29 -4.83 114.94 110.81 1y8r s ASN 168 Ca 0.10 -1.58 0.22 0.00 0.42 0.00 0.00 52.86 52.01 1y8r s ASN 168 Cb -0.01 0.79 0.62 0.00 -1.45 0.00 0.00 41.25 41.19 1y8r s ASN 168 CO 0.00 -0.23 1.49 0.18 -3.72 0.00 0.00 177.10 174.83 1y8r n LEU 169 N 4.09 2.31 0.00 3.21 4.77 -1.26 -2.28 117.00 127.84 1y8r n LEU 169 Ca 0.13 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1y8r n LEU 169 Cb 0.48 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1y8r n LEU 169 CO 0.07 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1y8r n GLY 170 N 1.27 3.58 3.26 -0.72 0.00 -1.26 -3.57 105.19 107.74 1y8r n GLY 170 Ca 0.17 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1y8r n GLY 170 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y8r n GLU 171 N 13.89 3.24 -3.00 1.61 -0.58 -1.26 -0.21 120.64 134.33 1y8r n GLU 171 Ca 0.00 -3.33 -0.40 0.00 -0.42 0.00 0.00 57.16 53.00 1y8r n GLU 171 Cb 0.00 -3.24 -0.05 0.00 -0.57 0.00 0.00 31.44 27.58 1y8r n GLU 171 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1y8r s HIS 172 N 2.70 3.48 -0.10 -0.32 2.46 -0.12 -4.94 115.29 118.46 1y8r s HIS 172 Ca 0.47 1.20 0.02 0.00 0.47 0.00 0.00 55.06 57.21 1y8r s HIS 172 Cb 0.05 -2.89 -0.02 0.00 -0.13 0.00 0.00 32.58 29.59 1y8r s HIS 172 CO 0.01 -0.09 -0.14 -1.21 -2.47 0.00 0.00 174.74 170.84 1y8r s GLU 173 N 1.53 3.02 0.20 2.88 2.02 -1.26 0.15 118.70 127.25 1y8r s GLU 173 Ca 0.36 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.68 1y8r s GLU 173 Cb -0.17 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 1y8r s GLU 173 CO 0.15 0.37 0.21 1.97 0.02 0.00 0.00 175.26 177.98 1y8r n PHE 174 N 3.05 -0.69 -4.34 1.61 1.16 0.91 -4.92 117.46 114.24 1y8r n PHE 174 Ca -0.18 -1.56 -0.20 0.00 -1.87 0.00 0.00 57.45 53.65 1y8r n PHE 174 Cb 0.52 0.23 -0.15 0.00 -1.61 0.00 0.00 39.48 38.47 1y8r n PHE 174 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1y8r s VAL 175 N -2.75 0.72 0.00 1.97 0.11 -1.08 -0.18 120.40 119.20 1y8r s VAL 175 Ca 0.21 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1y8r s VAL 175 Cb 0.00 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1y8r s VAL 175 CO 0.15 0.23 0.00 1.21 -3.33 0.00 0.00 175.10 173.36 1y8r n GLU 176 N 3.35 3.54 -3.87 1.54 2.13 0.60 -1.06 120.64 126.86 1y8r n GLU 176 Ca -0.19 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.54 1y8r n GLU 176 Cb 0.54 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.21 1y8r n GLU 176 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1y8r s GLU 177 N 1.99 1.48 0.00 5.31 2.12 -1.26 -2.74 118.70 125.60 1y8r s GLU 177 Ca 0.00 -1.06 -0.12 0.00 0.36 0.00 0.00 54.97 54.15 1y8r s GLU 177 Cb 0.00 0.50 -0.15 0.00 0.26 0.00 0.00 34.13 34.74 1y8r s GLU 177 CO 0.00 -0.62 1.06 2.41 -0.54 0.00 0.00 175.26 177.56 1y8r n THR 204 N -0.36 0.00 0.00 -1.70 -1.04 -1.26 -4.37 114.28 105.56 1y8r n THR 204 Ca -0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1y8r n THR 204 Cb 0.62 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1y8r n THR 204 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1y8r n THR 205 N 5.31 0.00 -2.10 12.58 -1.04 -1.26 -5.00 114.28 122.78 1y8r n THR 205 Ca 0.18 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.17 1y8r n THR 205 Cb 0.19 -0.86 0.01 0.00 -1.82 0.00 0.00 70.33 67.86 1y8r n THR 205 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1y8r n MET 206 N 0.00 -0.61 -3.94 -2.82 1.56 -1.16 -5.06 117.12 105.09 1y8r n MET 206 Ca 0.00 0.68 -0.30 0.00 -0.27 0.00 0.00 57.70 57.81 1y8r n MET 206 Cb 0.00 -3.09 -0.04 0.00 2.15 0.00 0.00 33.22 32.24 1y8r n MET 206 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1y8r s VAL 207 N -3.05 5.26 -0.14 1.12 1.01 -1.11 -4.86 120.40 118.64 1y8r s VAL 207 Ca 0.06 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 1y8r s VAL 207 Cb -0.01 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1y8r s VAL 207 CO 0.28 0.07 0.51 -0.75 0.00 0.00 0.00 175.10 175.21 1y8r s LYS 208 N -2.69 4.31 0.17 2.72 2.36 -1.26 -0.29 119.74 125.05 1y8r s LYS 208 Ca 0.34 0.48 0.02 0.00 -2.55 0.00 0.00 55.97 54.26 1y8r s LYS 208 Cb -0.12 -3.47 -0.05 0.00 -1.05 0.00 0.00 37.83 33.14 1y8r s LYS 208 CO 0.27 0.06 -0.01 0.15 1.55 0.00 0.00 175.35 177.38 1y8r s LYS 209 N 0.93 1.11 0.00 4.03 1.02 0.75 -4.97 119.74 122.61 1y8r s LYS 209 Ca 0.26 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.73 1y8r s LYS 209 Cb -0.15 -0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 36.84 1y8r s LYS 209 CO 0.11 -0.11 -0.02 0.21 -0.92 0.00 0.00 175.35 174.61 1y8r s LYS 210 N -3.90 0.15 0.06 1.68 2.20 -1.26 -0.06 119.74 118.61 1y8r s LYS 210 Ca 0.23 -0.15 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1y8r s LYS 210 Cb 0.06 -0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.26 1y8r s LYS 210 CO 0.04 0.02 -0.08 0.08 -0.36 0.00 0.00 175.35 175.05 1y8r s VAL 211 N -0.26 0.64 -0.05 4.02 1.01 0.12 -5.00 120.40 120.88 1y8r s VAL 211 Ca -0.02 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.65 1y8r s VAL 211 Cb -0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1y8r s VAL 211 CO -0.00 -0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 173.70 1y8r s VAL 212 N -2.04 1.59 0.28 2.92 1.01 -1.26 -0.94 120.40 121.96 1y8r s VAL 212 Ca -0.03 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1y8r s VAL 212 Cb -0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1y8r s VAL 212 CO -0.01 0.45 0.10 -0.36 0.00 0.00 0.00 175.10 175.28 1y8r s PHE 213 N 0.04 2.83 0.24 5.22 0.40 0.70 -4.96 117.98 122.45 1y8r s PHE 213 Ca -0.05 -0.22 0.11 0.00 -0.60 0.00 0.00 56.93 56.16 1y8r s PHE 213 Cb -0.13 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 1y8r s PHE 213 CO 0.03 0.51 -0.19 0.00 0.70 0.00 0.00 175.22 176.27 1y8r n PRO 215 N -0.39 0.72 -0.33 0.00 -0.02 -1.26 -4.82 135.00 128.90 1y8r n PRO 215 Ca -0.07 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.68 1y8r n PRO 215 Cb 0.59 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.85 1y8r n PRO 215 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1y8r h VAL 216 N 0.05 1.23 -0.82 -1.45 2.07 -1.95 -2.15 116.25 113.23 1y8r h VAL 216 Ca -0.48 -0.42 0.19 0.00 0.82 0.00 0.00 66.70 66.80 1y8r h VAL 216 Cb 1.34 -0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 30.92 1y8r h VAL 216 CO 0.49 0.22 0.30 0.50 0.02 0.00 0.00 177.57 179.10 1y8r h LYS 217 N 1.21 0.34 -0.03 1.57 3.64 -1.93 0.57 116.57 121.95 1y8r h LYS 217 Ca 0.33 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1y8r h LYS 217 Cb -0.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1y8r h LYS 217 CO -0.07 0.23 -0.67 0.93 -2.27 0.00 0.00 179.45 177.60 1y8r h GLU 218 N 0.35 0.14 -0.55 1.90 5.08 -1.78 -2.06 114.58 117.66 1y8r h GLU 218 Ca 0.49 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.64 1y8r h GLU 218 Cb 0.88 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1y8r h GLU 218 CO -0.52 0.75 -0.07 0.00 -1.00 0.00 0.00 179.01 178.18 1y8r h ALA 219 N 1.22 0.74 -0.00 3.43 0.00 0.40 -3.01 119.26 122.04 1y8r h ALA 219 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1y8r h ALA 219 Cb 1.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1y8r h ALA 219 CO 0.10 0.63 -0.21 1.28 0.00 0.00 0.00 179.25 181.05 1y8r n LEU 220 N -4.19 0.32 -2.28 0.00 4.77 0.15 -4.11 117.00 111.66 1y8r n LEU 220 Ca 0.02 0.18 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 1y8r n LEU 220 Cb 0.38 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1y8r n LEU 220 CO 0.45 0.07 0.17 -0.62 -1.33 0.00 0.00 177.39 176.12 1y8r n GLU 221 N -1.33 3.37 -2.07 3.23 1.02 -0.78 -5.08 120.64 119.00 1y8r n GLU 221 Ca 0.09 -4.27 -0.39 0.00 -0.02 0.00 0.00 57.16 52.57 1y8r n GLU 221 Cb 0.32 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1y8r n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1y8r s VAL 222 N -4.95 2.67 -0.45 2.62 1.01 -1.22 -4.93 120.40 115.15 1y8r s VAL 222 Ca 0.48 0.56 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 1y8r s VAL 222 Cb 0.40 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.51 1y8r s VAL 222 CO -0.07 0.05 0.53 -0.62 0.00 0.00 0.00 175.10 174.99 1y8r s ASP 223 N -0.92 6.22 0.00 3.32 -1.08 -1.26 -4.93 116.67 118.02 1y8r s ASP 223 Ca 0.60 -0.74 0.16 0.00 -0.52 0.00 0.00 52.55 52.06 1y8r s ASP 223 Cb -0.36 -2.26 0.47 0.00 -1.46 0.00 0.00 42.92 39.31 1y8r s ASP 223 CO 0.45 -0.72 1.39 0.79 0.52 0.00 0.00 175.17 177.60 1y8r n TRP 224 N 5.87 0.69 0.08 -5.34 7.02 -1.26 -4.09 117.44 120.40 1y8r n TRP 224 Ca -0.06 -0.34 -0.08 0.00 -1.02 0.00 0.00 57.50 55.99 1y8r n TRP 224 Cb 0.47 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.29 1y8r n TRP 224 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1y8r h SER 225 N 3.09 0.13 -3.02 -0.99 4.64 -1.89 -3.39 113.55 112.12 1y8r h SER 225 Ca 0.00 -0.13 -0.56 0.00 -0.47 0.00 0.00 61.79 60.63 1y8r h SER 225 Cb 0.70 -0.04 0.19 0.00 -0.31 0.00 0.00 62.40 62.95 1y8r h SER 225 CO 0.00 1.03 -0.62 -0.24 -0.87 0.00 0.00 176.83 176.12 1y8r n SER 226 N -3.50 -1.97 0.10 4.97 2.88 -1.26 -4.85 113.62 109.99 1y8r n SER 226 Ca -0.02 0.53 -0.03 0.00 -1.33 0.00 0.00 58.87 58.01 1y8r n SER 226 Cb 0.89 -1.14 0.02 0.00 -0.75 0.00 0.00 64.21 63.23 1y8r n SER 226 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1y8r h GLU 227 N -0.55 0.00 0.01 -1.46 4.57 -1.95 -2.63 114.58 112.56 1y8r h GLU 227 Ca -0.45 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.53 1y8r h GLU 227 Cb 1.34 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 1y8r h GLU 227 CO 0.40 0.79 -0.89 -0.22 -1.18 0.00 0.00 179.01 177.90 1y8r h LYS 228 N 0.00 0.19 0.00 1.92 1.63 -1.96 -2.91 116.57 115.45 1y8r h LYS 228 Ca -0.01 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1y8r h LYS 228 Cb 1.45 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1y8r h LYS 228 CO 0.10 0.96 0.00 0.00 -3.45 0.00 0.00 179.45 177.06 1y8r h ALA 229 N 0.96 1.00 0.00 5.00 0.00 -1.83 -1.68 119.26 122.71 1y8r h ALA 229 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y8r h ALA 229 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1y8r h ALA 229 CO 0.14 0.00 -0.13 1.63 0.00 0.00 0.00 179.25 180.89 1y8r n LYS 230 N -2.77 0.21 -0.10 0.00 4.76 -1.00 -1.95 118.16 117.31 1y8r n LYS 230 Ca 0.01 0.15 -0.20 0.00 -2.87 0.00 0.00 58.31 55.40 1y8r n LYS 230 Cb 0.29 -1.72 -0.10 0.00 -1.84 0.00 0.00 35.03 31.66 1y8r n LYS 230 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1y8r n ALA 231 N -1.73 0.76 -0.31 7.82 0.00 -0.66 -3.96 120.51 122.43 1y8r n ALA 231 Ca 0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 1y8r n ALA 231 Cb 0.41 -0.45 0.08 0.00 0.00 0.00 0.00 19.45 19.48 1y8r n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y8r h ALA 232 N -0.58 1.06 -0.69 0.00 0.00 -1.57 -2.46 119.26 115.01 1y8r h ALA 232 Ca -0.32 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.62 1y8r h ALA 232 Cb 1.22 -0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1y8r h ALA 232 CO -0.20 0.56 0.10 1.25 0.00 0.00 0.00 179.25 180.96 1y8r h LEU 233 N 1.15 -0.12 -2.04 0.00 5.85 -1.57 0.74 115.31 119.32 1y8r h LEU 233 Ca 0.29 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 1y8r h LEU 233 Cb 0.00 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1y8r h LEU 233 CO -0.05 -0.08 -0.09 0.50 -0.34 0.00 0.00 178.44 178.39 1y8r h LYS 234 N 0.20 0.00 -0.01 1.25 1.63 -1.57 -2.60 116.57 115.47 1y8r h LYS 234 Ca 0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1y8r h LYS 234 Cb 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1y8r h LYS 234 CO -0.53 0.09 -0.47 0.54 -3.45 0.00 0.00 179.45 175.62 1y8r n ARG 235 N -3.56 1.36 -3.27 1.90 1.74 0.20 -4.96 116.66 110.07 1y8r n ARG 235 Ca -0.02 -0.79 -0.39 0.00 -0.77 0.00 0.00 57.85 55.88 1y8r n ARG 235 Cb 0.21 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1y8r n ARG 235 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1y8r s THR 236 N -2.28 4.91 0.31 0.55 2.01 0.18 -5.04 115.64 116.27 1y8r s THR 236 Ca 0.15 1.15 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 1y8r s THR 236 Cb 0.15 -3.88 -0.11 0.00 0.01 0.00 0.00 72.50 68.67 1y8r s THR 236 CO 0.53 0.46 1.49 0.28 -0.69 0.00 0.00 174.62 176.69 1y8r s THR 237 N -0.45 2.30 0.59 -0.82 -1.32 -1.26 -4.91 115.64 109.77 1y8r s THR 237 Ca 0.29 0.27 0.31 0.00 -1.21 0.00 0.00 61.69 61.35 1y8r s THR 237 Cb -0.18 -3.17 0.36 0.00 -1.51 0.00 0.00 72.50 68.00 1y8r s THR 237 CO 0.16 0.05 2.26 0.77 -2.21 0.00 0.00 174.62 175.65 1y8r h SER 238 N 4.25 0.00 -0.77 8.08 4.64 -1.95 -2.17 113.55 125.63 1y8r h SER 238 Ca -0.48 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.06 1y8r h SER 238 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1y8r h SER 238 CO 0.73 0.01 0.66 0.44 -0.87 0.00 0.00 176.83 177.80 1y8r h ASP 239 N 0.00 0.00 -0.31 4.97 5.19 -1.98 0.50 116.42 124.79 1y8r h ASP 239 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1y8r h ASP 239 Cb 0.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1y8r h ASP 239 CO 0.00 0.00 0.12 0.22 -3.12 0.00 0.00 179.24 176.46 1y8r h TYR 240 N 0.00 0.47 -0.05 4.55 3.20 -1.77 -0.31 116.97 123.05 1y8r h TYR 240 Ca 0.37 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 62.06 1y8r h TYR 240 Cb 1.68 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 1y8r h TYR 240 CO 0.00 0.46 -0.57 0.74 -1.64 0.00 0.00 178.16 177.14 1y8r h PHE 241 N 0.34 0.21 -0.89 -3.82 -1.00 -0.25 -2.39 116.94 109.14 1y8r h PHE 241 Ca 0.10 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1y8r h PHE 241 Cb 0.19 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 1y8r h PHE 241 CO -0.00 0.70 0.47 1.25 -1.61 0.00 0.00 178.31 179.12 1y8r h LEU 242 N 0.13 1.12 -0.63 1.54 5.85 -0.93 -1.19 115.31 121.20 1y8r h LEU 242 Ca -0.00 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1y8r h LEU 242 Cb 1.05 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1y8r h LEU 242 CO 0.08 0.91 0.40 0.25 -0.34 0.00 0.00 178.44 179.75 1y8r h LEU 243 N 1.25 0.66 0.64 2.25 5.85 -0.55 -0.88 115.31 124.53 1y8r h LEU 243 Ca 0.31 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1y8r h LEU 243 Cb 0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1y8r h LEU 243 CO -0.05 0.47 -0.43 1.56 -0.34 0.00 0.00 178.44 179.65 1y8r h GLN 244 N 0.79 -0.99 -0.07 1.25 1.08 -1.06 0.12 115.11 116.24 1y8r h GLN 244 Ca 0.25 0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.54 1y8r h GLN 244 Cb -0.02 0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 1y8r h GLN 244 CO -0.09 -0.66 -0.44 0.28 -0.95 0.00 0.00 178.83 176.97 1y8r h VAL 245 N -1.02 0.00 -1.00 -0.54 2.07 -1.08 0.38 116.25 115.07 1y8r h VAL 245 Ca -0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1y8r h VAL 245 Cb 0.84 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1y8r h VAL 245 CO 0.06 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.21 1y8r h LEU 246 N -0.51 0.95 -0.36 2.57 3.38 -1.13 0.11 115.31 120.32 1y8r h LEU 246 Ca 0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1y8r h LEU 246 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1y8r h LEU 246 CO -0.33 0.54 0.16 -0.07 0.09 0.00 0.00 178.44 178.83 1y8r h LEU 247 N 1.04 0.48 -0.51 1.67 3.38 0.12 0.20 115.31 121.70 1y8r h LEU 247 Ca 0.47 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.35 1y8r h LEU 247 Cb 0.39 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1y8r h LEU 247 CO -0.23 0.49 0.25 0.50 0.09 0.00 0.00 178.44 179.54 1y8r h LYS 248 N 0.44 0.47 0.28 1.13 1.63 0.12 -1.68 116.57 118.96 1y8r h LYS 248 Ca 0.12 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1y8r h LYS 248 Cb 0.15 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1y8r h LYS 248 CO -0.01 0.31 -0.31 0.35 -3.45 0.00 0.00 179.45 176.34 1y8r h PHE 249 N 0.49 -0.83 -0.88 1.91 3.57 -0.43 0.99 116.94 121.75 1y8r h PHE 249 Ca 0.23 0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.99 1y8r h PHE 249 Cb 0.15 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1y8r h PHE 249 CO -0.11 -0.44 0.64 -0.09 -2.23 0.00 0.00 178.31 176.09 1y8r h ARG 250 N -0.63 0.00 0.00 1.11 2.43 -0.41 0.38 114.38 117.27 1y8r h ARG 250 Ca -0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1y8r h ARG 250 Cb 0.58 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1y8r h ARG 250 CO -0.08 0.00 -1.08 1.79 -1.51 0.00 0.00 179.97 179.09 1y8r h THR 251 N 0.00 0.43 0.11 0.20 1.35 -0.36 -2.05 112.91 112.58 1y8r h THR 251 Ca 0.42 -1.76 -0.28 0.00 -0.55 0.00 0.00 66.41 64.24 1y8r h THR 251 Cb 1.70 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 70.10 1y8r h THR 251 CO -0.00 0.24 -1.44 0.44 -0.25 0.00 0.00 175.52 174.51 1y8r h ASP 252 N 0.00 0.36 0.15 5.36 5.19 0.19 -3.38 116.42 124.30 1y8r h ASP 252 Ca -0.09 -0.84 0.00 0.00 -0.62 0.00 0.00 57.03 55.48 1y8r h ASP 252 Cb 1.38 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1y8r h ASP 252 CO 0.04 1.63 -0.54 0.29 -3.12 0.00 0.00 179.24 177.53 1y8r n LYS 253 N -3.92 0.62 -1.02 3.56 4.76 0.98 -4.96 118.16 118.18 1y8r n LYS 253 Ca -0.26 -0.46 -0.01 0.00 -2.87 0.00 0.00 58.31 54.72 1y8r n LYS 253 Cb 0.90 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.59 1y8r n LYS 253 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y8r n GLY 254 N 1.43 0.26 3.47 0.72 0.00 -0.77 -4.93 105.19 105.37 1y8r n GLY 254 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1y8r n GLY 254 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y8r s ARG 255 N -1.37 1.15 0.54 1.61 1.04 -1.23 -5.01 118.95 115.68 1y8r s ARG 255 Ca 0.00 -0.44 -0.16 0.00 -1.04 0.00 0.00 55.73 54.09 1y8r s ARG 255 Cb 0.00 0.52 -0.07 0.00 -2.04 0.00 0.00 34.95 33.36 1y8r s ARG 255 CO 0.00 -0.51 1.00 -0.51 -0.04 0.00 0.00 175.30 175.24 1y8r s ASP 256 N -2.68 6.46 -0.07 -2.89 1.01 -1.26 -4.17 116.67 113.07 1y8r s ASP 256 Ca 0.03 1.58 -0.32 0.00 0.71 0.00 0.00 52.55 54.55 1y8r s ASP 256 Cb -0.01 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 1y8r s ASP 256 CO -0.11 -0.70 1.97 -0.81 0.21 0.00 0.00 175.17 175.73 1y8r n PRO 257 N -1.79 2.36 -3.77 8.23 -0.04 -1.26 -4.95 135.00 133.78 1y8r n PRO 257 Ca 0.07 0.84 -0.28 0.00 -0.04 0.00 0.00 63.50 64.09 1y8r n PRO 257 Cb 0.54 -2.84 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 1y8r n PRO 257 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1y8r s SER 258 N 4.88 6.38 0.14 3.54 0.15 -1.26 -3.32 113.70 124.21 1y8r s SER 258 Ca 0.93 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1y8r s SER 258 Cb -0.57 -1.99 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 1y8r s SER 258 CO 0.46 0.01 1.31 0.77 1.20 0.00 0.00 173.24 176.99 1y8r h SER 259 N 2.23 0.31 0.00 5.45 4.64 -1.94 -2.72 113.55 121.51 1y8r h SER 259 Ca -0.48 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1y8r h SER 259 Cb 1.19 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1y8r h SER 259 CO 0.69 1.11 0.10 0.47 -0.87 0.00 0.00 176.83 178.33 1y8r n ASP 260 N -3.62 0.23 -2.26 4.97 8.00 -1.26 -0.88 116.55 121.73 1y8r n ASP 260 Ca -0.05 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1y8r n ASP 260 Cb 0.86 -0.56 0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1y8r n ASP 260 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1y8r n THR 261 N -1.78 0.91 0.00 -3.53 -2.24 -1.11 -4.98 114.28 101.55 1y8r n THR 261 Ca -0.01 -2.31 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 1y8r n THR 261 Cb 0.11 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1y8r n THR 261 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y8r n TYR 262 N -0.23 0.00 -0.33 4.78 9.36 -0.06 -1.13 117.16 129.55 1y8r n TYR 262 Ca 0.09 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.52 1y8r n TYR 262 Cb 0.93 -0.28 0.41 0.00 -0.63 0.00 0.00 39.34 39.77 1y8r n TYR 262 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1y8r h GLU 263 N 0.00 0.01 0.79 2.98 4.39 -1.90 0.94 114.58 121.79 1y8r h GLU 263 Ca 0.00 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1y8r h GLU 263 Cb 0.00 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1y8r h GLU 263 CO 0.00 0.01 -0.38 1.49 -1.16 0.00 0.00 179.01 178.97 1y8r h GLU 264 N 0.01 -1.02 0.32 2.33 4.81 -1.79 -2.74 114.58 116.51 1y8r h GLU 264 Ca 0.70 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.99 1y8r h GLU 264 Cb 1.64 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 31.25 1y8r h GLU 264 CO -0.86 -0.68 -0.18 -0.44 -0.73 0.00 0.00 179.01 176.12 1y8r h ASP 265 N -1.18 -0.44 -0.97 1.04 3.32 0.27 -1.97 116.42 116.48 1y8r h ASP 265 Ca -0.11 0.02 0.35 0.00 0.02 0.00 0.00 57.03 57.31 1y8r h ASP 265 Cb 0.81 0.13 -0.18 0.00 0.22 0.00 0.00 39.33 40.31 1y8r h ASP 265 CO 0.18 -0.30 0.31 -1.20 -1.72 0.00 0.00 179.24 176.51 1y8r n SER 266 N -5.31 0.15 0.14 6.45 7.64 0.31 0.17 113.62 123.17 1y8r n SER 266 Ca -0.10 1.63 -0.14 0.00 1.01 0.00 0.00 58.87 61.27 1y8r n SER 266 Cb 0.22 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.63 1y8r n SER 266 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1y8r h GLU 267 N 0.00 -0.34 -0.43 1.43 4.57 -1.05 -2.30 114.58 116.46 1y8r h GLU 267 Ca 0.72 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.98 1y8r h GLU 267 Cb 1.77 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 30.39 1y8r h GLU 267 CO -0.82 -0.06 0.17 1.25 -1.18 0.00 0.00 179.01 178.38 1y8r h LEU 268 N -0.62 0.20 -0.12 1.64 5.85 0.07 -1.50 115.31 120.83 1y8r h LEU 268 Ca -0.04 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1y8r h LEU 268 Cb 0.44 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1y8r h LEU 268 CO 0.06 0.15 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.13 1y8r h LEU 269 N 0.35 -0.35 -1.78 2.25 3.38 -0.24 0.32 115.31 119.24 1y8r h LEU 269 Ca 0.20 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1y8r h LEU 269 Cb 0.17 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1y8r h LEU 269 CO -0.19 -0.15 0.24 -0.07 0.09 0.00 0.00 178.44 178.37 1y8r h LEU 270 N -0.13 0.25 0.52 1.67 3.38 -1.11 0.27 115.31 120.15 1y8r h LEU 270 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1y8r h LEU 270 Cb 0.25 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1y8r h LEU 270 CO -0.20 0.16 -0.25 -0.61 0.09 0.00 0.00 178.44 177.64 1y8r h GLN 271 N 0.28 -0.67 -0.68 1.13 5.75 0.01 -3.07 115.11 117.87 1y8r h GLN 271 Ca 0.16 0.05 0.17 0.00 -0.15 0.00 0.00 58.65 58.87 1y8r h GLN 271 Cb 0.26 0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1y8r h GLN 271 CO -0.03 -0.44 0.47 0.82 -2.65 0.00 0.00 178.83 176.99 1y8r h ILE 272 N -0.96 0.73 -0.96 2.39 2.04 -0.14 0.82 117.51 121.42 1y8r h ILE 272 Ca -0.07 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1y8r h ILE 272 Cb 0.53 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1y8r h ILE 272 CO 0.12 0.03 0.63 -0.09 0.00 0.00 0.00 178.15 178.84 1y8r h ARG 273 N 0.17 1.16 0.00 2.37 2.43 -0.41 -1.20 114.38 118.90 1y8r h ARG 273 Ca 0.33 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1y8r h ARG 273 Cb 1.06 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1y8r h ARG 273 CO -0.05 0.77 0.00 0.09 -1.51 0.00 0.00 179.97 179.26 1y8r n ASN 274 N -4.45 0.00 -0.31 -3.80 4.13 0.27 -1.92 115.26 109.18 1y8r n ASN 274 Ca 0.13 0.87 0.09 0.00 1.68 0.00 0.00 54.58 57.36 1y8r n ASN 274 Cb 0.12 -0.47 0.26 0.00 -1.54 0.00 0.00 39.78 38.15 1y8r n ASN 274 CO 0.00 0.00 0.00 -2.24 0.28 0.00 0.00 177.26 175.30 1y8r h ASP 275 N 0.00 0.55 0.15 6.41 2.03 -1.57 0.40 116.42 124.39 1y8r h ASP 275 Ca 0.00 0.10 -0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1y8r h ASP 275 Cb 0.00 0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1y8r h ASP 275 CO 0.00 0.20 -0.11 0.58 -1.03 0.00 0.00 179.24 178.88 1y8r h VAL 276 N 0.61 0.76 0.00 4.15 2.07 -1.29 0.02 116.25 122.57 1y8r h VAL 276 Ca 0.50 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.94 1y8r h VAL 276 Cb 0.76 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1y8r h VAL 276 CO -0.39 0.00 -0.36 -0.07 0.02 0.00 0.00 177.57 176.77 1y8r h LEU 277 N -0.26 0.00 -0.14 2.57 3.38 -0.71 -2.98 115.31 117.17 1y8r h LEU 277 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1y8r h LEU 277 Cb 0.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1y8r h LEU 277 CO -0.00 0.36 -0.85 0.44 0.09 0.00 0.00 178.44 178.48 1y8r h ASP 278 N 0.00 0.89 -0.27 -0.43 3.32 -0.67 -1.26 116.42 118.00 1y8r h ASP 278 Ca -0.00 -0.62 0.08 0.00 0.02 0.00 0.00 57.03 56.50 1y8r h ASP 278 Cb 0.69 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1y8r h ASP 278 CO 0.05 1.42 0.25 0.28 -1.72 0.00 0.00 179.24 179.51 1y8r h SER 279 N 0.48 0.00 -0.50 6.45 0.02 -0.84 0.78 113.55 119.93 1y8r h SER 279 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1y8r h SER 279 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1y8r h SER 279 CO 0.17 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.04 1y8r n LEU 280 N -4.00 2.88 -3.77 5.07 4.77 -1.12 -4.93 117.00 115.90 1y8r n LEU 280 Ca 0.04 -1.41 -0.25 0.00 -0.03 0.00 0.00 56.01 54.36 1y8r n LEU 280 Cb 0.40 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1y8r n LEU 280 CO 0.30 0.70 0.03 0.61 -1.33 0.00 0.00 177.39 177.71 1y8r n GLY 281 N 1.37 -0.39 3.21 -0.72 0.00 0.27 -4.53 105.19 104.40 1y8r n GLY 281 Ca 0.18 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 1y8r n GLY 281 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y8r s ILE 282 N -3.49 1.42 -0.17 -0.61 1.01 -0.49 -4.86 121.20 114.01 1y8r s ILE 282 Ca 0.31 -1.20 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1y8r s ILE 282 Cb -0.15 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1y8r s ILE 282 CO 0.81 0.04 1.73 -0.94 0.00 0.00 0.00 174.94 176.58 1y8r s SER 283 N -1.36 6.31 0.54 3.58 1.04 -1.26 -4.11 113.70 118.45 1y8r s SER 283 Ca 0.04 1.85 0.27 0.00 0.48 0.00 0.00 55.95 58.59 1y8r s SER 283 Cb -0.09 -2.53 1.46 0.00 0.10 0.00 0.00 66.02 64.97 1y8r s SER 283 CO 0.02 -1.28 1.80 -0.65 0.98 0.00 0.00 173.24 174.12 1y8r h PRO 284 N 11.07 0.00 0.00 4.02 0.11 -1.91 0.76 132.00 146.05 1y8r h PRO 284 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1y8r h PRO 284 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1y8r h PRO 284 CO 0.98 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1y8r n ASP 285 N -2.63 0.00 0.15 -2.05 5.75 -1.26 -2.87 116.55 113.63 1y8r n ASP 285 Ca -0.02 -0.28 -0.00 0.00 -0.01 0.00 0.00 54.79 54.48 1y8r n ASP 285 Cb 0.28 -0.20 0.21 0.00 -1.03 0.00 0.00 41.12 40.37 1y8r n ASP 285 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1y8r h LEU 286 N 0.00 0.00 -8.17 -2.12 6.46 -1.22 -3.39 115.31 106.87 1y8r h LEU 286 Ca 0.00 0.00 -0.72 0.00 -0.12 0.00 0.00 57.88 57.04 1y8r h LEU 286 Cb 0.16 0.00 -0.27 0.00 -0.73 0.00 0.00 40.66 39.83 1y8r h LEU 286 CO 0.00 0.57 -0.46 -0.22 -0.62 0.00 0.00 178.44 177.71 1y8r s LEU 287 N -7.61 5.16 0.16 2.25 2.96 -1.14 -4.88 118.68 115.58 1y8r s LEU 287 Ca -0.01 -1.42 -0.26 0.00 -0.22 0.00 0.00 54.13 52.22 1y8r s LEU 287 Cb 0.13 -2.02 -0.15 0.00 0.50 0.00 0.00 46.19 44.65 1y8r s LEU 287 CO 0.75 -0.53 0.50 -2.65 -1.32 0.00 0.00 176.35 173.10 1y8r n PRO 288 N 4.97 0.00 0.23 0.98 -0.02 -1.26 -4.85 135.00 135.04 1y8r n PRO 288 Ca -0.11 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1y8r n PRO 288 Cb 0.43 -0.93 0.49 0.00 -0.02 0.00 0.00 33.50 33.48 1y8r n PRO 288 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1y8r h GLU 289 N 1.05 0.00 -0.02 -0.52 5.08 -1.91 -2.73 114.58 115.52 1y8r h GLU 289 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1y8r h GLU 289 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1y8r h GLU 289 CO 0.51 0.20 0.00 -0.40 -1.00 0.00 0.00 179.01 178.32 1y8r n ASP 290 N -3.38 0.15 -0.26 1.42 3.85 -1.26 -3.79 116.55 113.28 1y8r n ASP 290 Ca 0.00 -1.60 0.03 0.00 -0.71 0.00 0.00 54.79 52.51 1y8r n ASP 290 Cb 0.41 -0.01 0.26 0.00 -1.35 0.00 0.00 41.12 40.43 1y8r n ASP 290 CO 0.00 0.00 0.00 2.19 -1.01 0.00 0.00 177.20 178.38 1y8r h PHE 291 N 0.19 0.96 0.00 2.11 -5.15 -1.83 -0.44 116.94 112.77 1y8r h PHE 291 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1y8r h PHE 291 Cb 0.04 -0.32 0.00 0.00 0.22 0.00 0.00 35.95 35.89 1y8r h PHE 291 CO 0.01 0.54 0.09 1.33 -2.00 0.00 0.00 178.31 178.28 1y8r n VAL 292 N -4.46 1.60 -0.06 0.88 0.24 -1.25 -2.03 118.33 113.25 1y8r n VAL 292 Ca 0.11 0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 62.77 1y8r n VAL 292 Cb 0.15 -1.49 -0.12 0.00 -1.47 0.00 0.00 33.84 30.91 1y8r n VAL 292 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1y8r h ARG 293 N 0.00 -0.00 -1.70 7.34 2.47 -1.38 -3.40 114.38 117.71 1y8r h ARG 293 Ca 0.00 0.00 -0.70 0.00 -1.26 0.00 0.00 59.98 58.03 1y8r h ARG 293 Cb 0.19 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 28.18 1y8r h ARG 293 CO 0.00 0.88 0.40 0.66 0.56 0.00 0.00 179.97 182.47 1y8r n TYR 294 N -4.66 3.13 -2.23 3.04 4.02 -0.86 -4.58 117.16 115.02 1y8r n TYR 294 Ca -0.10 -2.63 0.01 0.00 -0.01 0.00 0.00 57.90 55.17 1y8r n TYR 294 Cb 0.43 -0.82 -0.00 0.00 -0.02 0.00 0.00 39.34 38.92 1y8r n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1y8r s PHE 296 N 0.00 3.38 0.13 0.00 0.40 -1.26 -3.49 117.98 117.13 1y8r s PHE 296 Ca 0.15 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 1y8r s PHE 296 Cb 0.18 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.93 1y8r s PHE 296 CO -0.08 0.59 0.00 0.45 0.70 0.00 0.00 175.22 176.88 1y8r n SER 297 N 1.17 -7.00 -4.44 1.36 2.88 -1.21 -2.78 113.62 103.60 1y8r n SER 297 Ca -0.13 0.59 -0.33 0.00 -1.33 0.00 0.00 58.87 57.67 1y8r n SER 297 Cb 0.53 -1.67 -0.13 0.00 -0.75 0.00 0.00 64.21 62.19 1y8r n SER 297 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1y8r s GLU 298 N -0.84 3.48 -0.35 -1.46 2.02 -1.26 0.15 118.70 120.44 1y8r s GLU 298 Ca 0.00 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.32 1y8r s GLU 298 Cb 0.00 -2.75 0.04 0.00 0.10 0.00 0.00 34.13 31.52 1y8r s GLU 298 CO 0.00 0.25 0.12 -1.64 0.02 0.00 0.00 175.26 174.01 1y8r s MET 299 N 0.30 2.62 0.18 1.61 -1.94 -1.25 -4.94 119.30 115.89 1y8r s MET 299 Ca -0.07 -1.20 -0.05 0.00 -1.71 0.00 0.00 55.69 52.66 1y8r s MET 299 Cb -0.15 -3.50 0.31 0.00 2.01 0.00 0.00 34.83 33.50 1y8r s MET 299 CO 0.04 -0.69 1.02 0.00 -0.01 0.00 0.00 175.02 175.38 1y8r n ALA 300 N 4.83 0.16 -0.19 3.03 0.00 -1.26 0.56 120.51 127.64 1y8r n ALA 300 Ca -0.12 0.72 -0.03 0.00 0.00 0.00 0.00 53.44 54.00 1y8r n ALA 300 Cb 0.45 -0.43 0.07 0.00 0.00 0.00 0.00 19.45 19.53 1y8r n ALA 300 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1y8r h PRO 301 N 0.00 0.52 -0.53 0.00 0.11 -1.98 0.10 132.00 130.22 1y8r h PRO 301 Ca 0.32 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.31 1y8r h PRO 301 Cb 0.49 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1y8r h PRO 301 CO -0.67 0.34 -0.01 0.28 -0.21 0.00 0.00 178.00 177.73 1y8r h VAL 302 N 0.54 1.26 0.36 3.15 2.07 -0.22 -2.03 116.25 121.38 1y8r h VAL 302 Ca 0.25 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1y8r h VAL 302 Cb 0.17 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1y8r h VAL 302 CO -0.18 0.39 -0.17 0.00 0.02 0.00 0.00 177.57 177.63 1y8r h ALA 304 N 0.14 0.85 -0.06 0.00 0.00 -0.71 0.44 119.26 119.92 1y8r h ALA 304 Ca -0.05 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1y8r h ALA 304 Cb 0.38 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1y8r h ALA 304 CO 0.08 -0.27 0.02 0.28 0.00 0.00 0.00 179.25 179.36 1y8r h VAL 305 N 0.33 1.18 -0.34 0.00 2.07 -1.03 -0.42 116.25 118.03 1y8r h VAL 305 Ca 0.35 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1y8r h VAL 305 Cb 0.53 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1y8r h VAL 305 CO -0.40 0.15 -0.14 0.58 0.02 0.00 0.00 177.57 177.77 1y8r h VAL 306 N -0.10 1.29 0.00 2.57 2.07 -0.46 -2.13 116.25 119.48 1y8r h VAL 306 Ca 0.02 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1y8r h VAL 306 Cb 0.22 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1y8r h VAL 306 CO -0.00 0.41 -0.14 1.23 0.02 0.00 0.00 177.57 179.08 1y8r h GLY 307 N 0.48 0.00 0.57 2.17 0.00 -0.13 0.01 103.07 106.18 1y8r h GLY 307 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1y8r h GLY 307 CO 0.05 0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 175.03 1y8r h GLY 308 N 1.09 -0.67 0.26 4.60 0.00 -0.69 -0.71 103.07 106.96 1y8r h GLY 308 Ca -0.00 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1y8r h GLY 308 CO 0.02 -0.24 -0.43 -2.22 0.00 0.00 0.00 176.54 173.66 1y8r h ILE 309 N -1.07 0.00 -0.98 2.60 1.08 -1.15 -2.46 117.51 115.53 1y8r h ILE 309 Ca -0.07 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.59 1y8r h ILE 309 Cb 0.57 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.21 1y8r h ILE 309 CO 0.11 0.00 0.58 0.25 -0.69 0.00 0.00 178.15 178.40 1y8r h LEU 310 N -0.74 0.73 -0.29 1.44 5.85 -1.09 -1.28 115.31 119.93 1y8r h LEU 310 Ca -0.03 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1y8r h LEU 310 Cb 0.68 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1y8r h LEU 310 CO -0.14 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 1y8r h ALA 311 N 1.64 0.39 0.00 1.25 0.00 -0.92 -2.51 119.26 119.11 1y8r h ALA 311 Ca 0.57 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1y8r h ALA 311 Cb 0.90 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1y8r h ALA 311 CO -0.39 0.13 -0.11 0.37 0.00 0.00 0.00 179.25 179.25 1y8r h GLN 312 N 0.30 0.00 -0.29 0.00 5.75 -0.87 0.09 115.11 120.09 1y8r h GLN 312 Ca 0.08 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1y8r h GLN 312 Cb 0.43 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1y8r h GLN 312 CO 0.01 0.11 -0.02 0.93 -2.65 0.00 0.00 178.83 177.21 1y8r h GLU 313 N 0.00 0.53 -0.61 1.69 4.39 -0.91 0.53 114.58 120.21 1y8r h GLU 313 Ca -0.00 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.56 1y8r h GLU 313 Cb 0.24 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1y8r h GLU 313 CO 0.01 0.70 0.35 0.82 -1.16 0.00 0.00 179.01 179.73 1y8r h ILE 314 N 0.32 1.02 -0.76 3.13 2.04 -0.72 -0.24 117.51 122.30 1y8r h ILE 314 Ca 0.08 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1y8r h ILE 314 Cb 0.47 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1y8r h ILE 314 CO 0.02 0.12 0.47 0.58 0.00 0.00 0.00 178.15 179.34 1y8r h VAL 315 N 0.67 1.21 -0.56 1.67 2.07 -0.76 -1.74 116.25 118.81 1y8r h VAL 315 Ca 0.26 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1y8r h VAL 315 Cb 0.10 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1y8r h VAL 315 CO -0.14 0.22 0.28 0.11 0.02 0.00 0.00 177.57 178.06 1y8r h LYS 316 N 1.03 0.80 0.10 1.57 1.57 0.30 -1.40 116.57 120.54 1y8r h LYS 316 Ca 0.27 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1y8r h LYS 316 Cb -0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1y8r h LYS 316 CO -0.05 0.64 -0.19 0.00 -0.57 0.00 0.00 179.45 179.28 1y8r h ALA 317 N 1.12 -0.31 -0.18 3.86 0.00 -0.48 0.23 119.26 123.48 1y8r h ALA 317 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1y8r h ALA 317 Cb 0.09 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1y8r h ALA 317 CO -0.03 -0.71 0.03 -0.07 0.00 0.00 0.00 179.25 178.47 1y8r h LEU 318 N -0.36 0.29 -2.02 0.00 3.38 -1.27 -2.63 115.31 112.69 1y8r h LEU 318 Ca 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1y8r h LEU 318 Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1y8r h LEU 318 CO -0.11 0.47 0.00 0.77 0.09 0.00 0.00 178.44 179.65 1y8r h SER 319 N 0.10 0.00 -3.15 -0.43 4.64 -1.18 -3.44 113.55 110.09 1y8r h SER 319 Ca 0.06 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.00 1y8r h SER 319 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1y8r h SER 319 CO 0.00 0.00 -0.48 1.67 -0.87 0.00 0.00 176.83 177.16 1y8r n GLN 320 N -3.04 -1.81 -5.09 4.77 7.27 0.78 -4.80 117.38 115.46 1y8r n GLN 320 Ca -0.01 0.92 -0.32 0.00 0.07 0.00 0.00 57.00 57.66 1y8r n GLN 320 Cb 0.21 -5.56 -0.16 0.00 2.41 0.00 0.00 30.24 27.14 1y8r n GLN 320 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1y8r s ARG 321 N -5.00 2.87 0.08 3.69 3.52 -1.12 -2.62 118.95 120.38 1y8r s ARG 321 Ca 0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1y8r s ARG 321 Cb 0.00 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1y8r s ARG 321 CO 0.00 0.32 0.00 -0.25 -0.81 0.00 0.00 175.30 174.56 1y8r n ASP 322 N 3.16 -1.12 -4.61 -2.12 8.00 -0.23 -4.68 116.55 114.95 1y8r n ASP 322 Ca -0.18 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.13 1y8r n ASP 322 Cb 0.52 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 1y8r n ASP 322 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1y8r s PRO 323 N -3.83 3.75 1.15 -0.24 0.04 -1.26 -4.78 135.00 129.84 1y8r s PRO 323 Ca 0.00 1.03 -0.13 0.00 0.04 0.00 0.00 61.00 61.95 1y8r s PRO 323 Cb 0.00 -3.94 0.28 0.00 0.04 0.00 0.00 34.50 30.88 1y8r s PRO 323 CO 0.00 -1.33 1.04 -2.14 0.04 0.00 0.00 177.00 174.60 1y8r s PRO 324 N 4.51 -0.81 -0.29 0.56 0.02 -1.26 -4.95 135.00 132.77 1y8r s PRO 324 Ca 0.57 0.85 -0.21 0.00 0.02 0.00 0.00 61.00 62.23 1y8r s PRO 324 Cb -0.14 -1.57 -0.01 0.00 0.02 0.00 0.00 34.50 32.80 1y8r s PRO 324 CO 0.28 -3.65 0.64 -1.01 -0.33 0.00 0.00 177.00 172.93 1y8r s HIS 325 N -2.50 3.23 -0.46 6.54 3.76 -1.26 -5.02 115.29 119.59 1y8r s HIS 325 Ca 0.68 0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 56.12 1y8r s HIS 325 Cb -0.25 -2.97 0.08 0.00 1.11 0.00 0.00 32.58 30.55 1y8r s HIS 325 CO 0.64 -0.45 0.35 1.21 -0.85 0.00 0.00 174.74 175.64 1y8r s ASN 326 N 1.60 5.94 0.00 1.40 3.84 -1.26 -4.43 114.94 122.02 1y8r s ASN 326 Ca 0.26 -1.46 0.00 0.00 0.21 0.00 0.00 52.86 51.87 1y8r s ASN 326 Cb -0.15 -2.10 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 1y8r s ASN 326 CO 0.11 -0.62 0.16 -0.46 -2.79 0.00 0.00 177.10 173.50 1y8r n ASN 327 N 5.08 0.00 -4.20 -4.21 6.94 -0.88 -3.65 115.26 114.34 1y8r n ASN 327 Ca -0.11 -1.00 -0.28 0.00 -0.02 0.00 0.00 54.58 53.17 1y8r n ASN 327 Cb 0.43 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.69 1y8r n ASN 327 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1y8r s PHE 328 N 0.00 1.97 -0.20 -2.53 0.40 -0.03 -1.97 117.98 115.62 1y8r s PHE 328 Ca 0.00 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1y8r s PHE 328 Cb 0.00 -1.30 0.04 0.00 0.51 0.00 0.00 43.02 42.27 1y8r s PHE 328 CO 0.00 -0.14 -0.12 0.12 0.70 0.00 0.00 175.22 175.78 1y8r s PHE 329 N -0.18 2.61 -0.27 0.36 5.36 0.91 -1.63 117.98 125.13 1y8r s PHE 329 Ca -0.00 -1.71 -0.03 0.00 -0.96 0.00 0.00 56.93 54.23 1y8r s PHE 329 Cb -0.11 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1y8r s PHE 329 CO 0.02 -0.77 -0.01 -0.06 -1.46 0.00 0.00 175.22 172.94 1y8r s PHE 330 N 1.33 3.14 -0.13 10.12 0.40 0.13 -1.20 117.98 131.77 1y8r s PHE 330 Ca -0.01 -1.47 -0.05 0.00 -0.60 0.00 0.00 56.93 54.80 1y8r s PHE 330 Cb -0.16 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1y8r s PHE 330 CO -0.09 -0.71 0.05 0.12 0.70 0.00 0.00 175.22 175.30 1y8r s PHE 331 N 1.36 3.28 -0.50 0.36 5.36 -0.96 -1.52 117.98 125.36 1y8r s PHE 331 Ca -0.00 0.20 0.04 0.00 -0.96 0.00 0.00 56.93 56.21 1y8r s PHE 331 Cb -0.18 -1.92 0.13 0.00 -0.34 0.00 0.00 43.02 40.71 1y8r s PHE 331 CO -0.02 0.40 0.24 0.34 -1.46 0.00 0.00 175.22 174.72 1y8r s ASP 332 N -0.45 4.41 0.65 6.13 -1.08 0.21 -2.10 116.67 124.44 1y8r s ASP 332 Ca 0.09 -2.89 0.22 0.00 -0.52 0.00 0.00 52.55 49.45 1y8r s ASP 332 Cb -0.12 -1.65 1.14 0.00 -1.46 0.00 0.00 42.92 40.83 1y8r s ASP 332 CO 0.02 -0.26 1.64 1.23 0.52 0.00 0.00 175.17 178.32 1y8r h GLY 333 N 6.67 0.00 0.16 2.66 0.00 0.61 0.48 103.07 113.66 1y8r h GLY 333 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1y8r h GLY 333 CO 0.67 0.00 -0.08 -0.33 0.00 0.00 0.00 176.54 176.80 1y8r h MET 334 N 0.00 -0.21 0.00 4.80 2.86 -1.94 -3.36 114.93 117.09 1y8r h MET 334 Ca 0.08 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1y8r h MET 334 Cb 1.27 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1y8r h MET 334 CO -0.00 -0.14 0.00 1.63 1.06 0.00 0.00 176.91 179.46 1y8r n LYS 335 N -4.45 0.10 -2.42 1.72 4.76 -0.68 -4.93 118.16 112.27 1y8r n LYS 335 Ca -0.03 0.12 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 1y8r n LYS 335 Cb 0.08 -1.63 0.01 0.00 -1.84 0.00 0.00 35.03 31.66 1y8r n LYS 335 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y8r n GLY 336 N 1.22 0.04 3.69 0.72 0.00 0.16 -5.03 105.19 106.00 1y8r n GLY 336 Ca 0.06 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1y8r n GLY 336 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y8r s ASN 337 N -2.72 5.26 -0.42 1.61 0.01 -1.19 -4.95 114.94 112.55 1y8r s ASN 337 Ca 0.08 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.37 1y8r s ASN 337 Cb -0.03 -1.46 0.15 0.00 0.41 0.00 0.00 41.25 40.31 1y8r s ASN 337 CO 0.10 0.35 0.29 -0.83 -1.51 0.00 0.00 177.10 175.49 1y8r s GLY 338 N -1.10 1.30 0.29 0.66 0.00 -1.25 -0.62 107.32 106.59 1y8r s GLY 338 Ca 0.15 -2.37 -0.14 0.00 0.00 0.00 0.00 44.72 42.36 1y8r s GLY 338 CO 0.05 1.92 0.69 -0.42 0.00 0.00 0.00 173.10 175.34 1y8r s ILE 339 N 0.36 4.73 -0.26 0.90 1.01 -0.58 -4.87 121.20 122.48 1y8r s ILE 339 Ca 0.24 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.79 1y8r s ILE 339 Cb -0.12 -3.64 0.07 0.00 0.01 0.00 0.00 42.46 38.78 1y8r s ILE 339 CO -0.08 -0.10 -0.06 -0.69 0.00 0.00 0.00 174.94 174.00 1y8r s VAL 340 N -1.88 1.92 0.01 2.92 1.01 -1.26 -0.69 120.40 122.43 1y8r s VAL 340 Ca 0.51 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1y8r s VAL 340 Cb -0.11 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1y8r s VAL 340 CO 0.19 -0.16 0.08 -1.61 0.00 0.00 0.00 175.10 173.60 1y8r s GLU 341 N 1.19 3.02 -0.40 2.72 0.41 -0.65 -4.94 118.70 120.05 1y8r s GLU 341 Ca -0.05 -0.53 -0.03 0.00 -0.41 0.00 0.00 54.97 53.95 1y8r s GLU 341 Cb -0.19 -2.82 0.10 0.00 -1.78 0.00 0.00 34.13 29.43 1y8r s GLU 341 CO -0.06 0.63 0.19 0.00 -0.49 0.00 0.00 175.26 175.53 1y8r s LEU 343 N 1.18 2.21 0.00 0.00 1.43 -1.26 -4.83 118.68 117.41 1y8r s LEU 343 Ca 0.06 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1y8r s LEU 343 Cb -0.23 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 44.98 1y8r s LEU 343 CO -0.03 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1y8r n GLY 344 N 1.59 3.19 0.00 -3.19 0.00 -1.26 -4.38 105.19 101.14 1y8r n GLY 344 Ca -0.18 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1y8r n GLY 344 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27