#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8m n THR 2 N 0.00 1.04 -1.62 2.03 -2.24 -1.26 -5.11 114.28 107.12 1y8m n THR 2 Ca 0.00 -2.63 -0.29 0.00 -2.27 0.00 0.00 64.05 58.87 1y8m n THR 2 Cb 0.00 1.21 0.12 0.00 -2.10 0.00 0.00 70.33 69.57 1y8m n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1y8m s LYS 3 N -3.12 1.33 0.33 -0.78 1.02 -1.26 -5.06 119.74 112.21 1y8m s LYS 3 Ca 0.24 0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.50 1y8m s LYS 3 Cb 0.35 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 1y8m s LYS 3 CO -0.05 -2.06 0.51 0.54 -0.92 0.00 0.00 175.35 173.38 1y8m s VAL 4 N -3.35 4.91 -0.27 3.17 0.11 -1.26 -5.10 120.40 118.61 1y8m s VAL 4 Ca 0.63 -0.64 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1y8m s VAL 4 Cb -0.14 -3.77 0.15 0.00 -1.53 0.00 0.00 36.38 31.09 1y8m s VAL 4 CO 0.52 -0.44 0.50 1.51 -3.33 0.00 0.00 175.10 173.86 1y8m s ASP 5 N -4.06 -0.65 0.12 3.54 1.47 -1.26 -5.08 116.67 110.76 1y8m s ASP 5 Ca 0.40 0.70 0.00 0.00 1.18 0.00 0.00 52.55 54.83 1y8m s ASP 5 Cb -0.09 1.71 0.00 0.00 -0.34 0.00 0.00 42.92 44.19 1y8m s ASP 5 CO 0.34 -0.27 0.00 0.49 0.68 0.00 0.00 175.17 176.41 1y8m n PHE 6 N 5.40 -4.93 -1.34 2.11 3.72 -1.26 -4.90 117.46 116.27 1y8m n PHE 6 Ca -0.04 2.95 -0.33 0.00 -0.05 0.00 0.00 57.45 59.99 1y8m n PHE 6 Cb 0.50 -3.73 0.09 0.00 -0.94 0.00 0.00 39.48 35.40 1y8m n PHE 6 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1y8m s TRP 7 N -0.55 2.23 0.86 1.38 0.51 -1.26 -4.95 118.94 117.16 1y8m s TRP 7 Ca 0.00 1.62 -0.13 0.00 -2.12 0.00 0.00 56.10 55.46 1y8m s TRP 7 Cb 0.00 -3.27 0.05 0.00 -0.81 0.00 0.00 33.47 29.43 1y8m s TRP 7 CO 0.00 -2.22 0.73 -2.30 -0.51 0.00 0.00 176.95 172.64 1y8m n PRO 8 N -3.11 -0.07 -2.64 4.98 -0.01 -1.26 -4.99 135.00 127.89 1y8m n PRO 8 Ca 0.11 0.04 -0.24 0.00 -0.01 0.00 0.00 63.50 63.40 1y8m n PRO 8 Cb 0.52 -2.06 0.03 0.00 -0.01 0.00 0.00 33.50 31.97 1y8m n PRO 8 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 1y8m s THR 9 N -2.26 3.36 0.15 3.45 -4.23 -1.26 -4.97 115.64 109.89 1y8m s THR 9 Ca 0.64 -0.38 0.23 0.00 -1.18 0.00 0.00 61.69 61.00 1y8m s THR 9 Cb -0.26 -3.29 0.21 0.00 1.34 0.00 0.00 72.50 70.49 1y8m s THR 9 CO 0.60 -0.24 1.81 0.25 -0.54 0.00 0.00 174.62 176.50 1y8m h LEU 10 N 0.04 0.00 -1.48 4.79 5.85 -1.96 -2.58 115.31 119.97 1y8m h LEU 10 Ca -0.45 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1y8m h LEU 10 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1y8m h LEU 10 CO 0.57 0.26 -0.18 0.50 -0.34 0.00 0.00 178.44 179.25 1y8m h LYS 11 N 0.00 0.11 -0.20 1.25 3.64 -2.02 -1.69 116.57 117.66 1y8m h LYS 11 Ca -0.00 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1y8m h LYS 11 Cb 0.77 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1y8m h LYS 11 CO 0.03 0.30 0.28 0.22 -2.27 0.00 0.00 179.45 178.01 1y8m h ASP 12 N 0.11 0.00 0.08 4.20 1.82 -1.84 0.18 116.42 120.96 1y8m h ASP 12 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1y8m h ASP 12 Cb 0.39 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1y8m h ASP 12 CO 0.03 0.00 -0.06 0.00 -1.61 0.00 0.00 179.24 177.59 1y8m h ALA 13 N 1.64 1.79 -0.10 -0.78 0.00 -1.47 -0.37 119.26 119.96 1y8m h ALA 13 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y8m h ALA 13 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1y8m h ALA 13 CO -0.00 0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.99 1y8m n TYR 14 N -4.31 0.33 -3.76 0.00 4.02 0.64 -4.59 117.16 109.49 1y8m n TYR 14 Ca -0.03 -0.12 -0.36 0.00 -0.01 0.00 0.00 57.90 57.39 1y8m n TYR 14 Cb 0.14 -0.14 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 1y8m n TYR 14 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1y8m s GLU 15 N -1.40 2.40 0.54 -0.72 2.12 -0.15 -5.09 118.70 116.41 1y8m s GLU 15 Ca 0.09 -2.44 -0.21 0.00 0.36 0.00 0.00 54.97 52.77 1y8m s GLU 15 Cb 0.07 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 1y8m s GLU 15 CO 0.03 -1.15 1.29 -1.25 -0.54 0.00 0.00 175.26 173.65 1y8m s PRO 16 N 0.08 3.19 0.43 4.30 0.05 -1.26 -4.95 135.00 136.84 1y8m s PRO 16 Ca 0.16 2.07 -0.08 0.00 0.05 0.00 0.00 61.00 63.19 1y8m s PRO 16 Cb -0.21 -2.20 -0.05 0.00 0.05 0.00 0.00 34.50 32.08 1y8m s PRO 16 CO -0.03 -1.10 0.77 -0.51 0.05 0.00 0.00 177.00 176.18 1y8m s LEU 17 N -3.58 3.75 0.52 -3.56 1.43 -1.26 -5.08 118.68 110.89 1y8m s LEU 17 Ca 0.72 1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1y8m s LEU 17 Cb -0.36 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 1y8m s LEU 17 CO 0.42 -0.47 0.86 -0.31 0.23 0.00 0.00 176.35 177.08 1y8m s TYR 18 N -2.52 3.57 0.58 0.29 2.02 -1.26 -4.91 117.35 115.12 1y8m s TYR 18 Ca 0.49 1.01 0.32 0.00 -0.37 0.00 0.00 57.07 58.52 1y8m s TYR 18 Cb -0.10 -2.46 1.87 0.00 -0.40 0.00 0.00 41.96 40.87 1y8m s TYR 18 CO 0.37 -0.39 2.26 -1.00 -1.57 0.00 0.00 175.55 175.22 1y8m h PRO 19 N 0.21 0.00 0.18 -1.71 0.13 -1.99 -2.16 132.00 126.65 1y8m h PRO 19 Ca -0.46 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 1y8m h PRO 19 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1y8m h PRO 19 CO 0.62 0.01 -1.56 0.37 -0.23 0.00 0.00 178.00 177.22 1y8m h GLN 20 N 0.00 0.37 -0.22 0.86 5.75 -1.99 -2.86 115.11 117.03 1y8m h GLN 20 Ca -0.00 -0.64 -0.03 0.00 -0.15 0.00 0.00 58.65 57.84 1y8m h GLN 20 Cb 0.03 0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1y8m h GLN 20 CO 0.00 1.27 0.03 1.96 -2.65 0.00 0.00 178.83 179.44 1y8m h GLN 21 N 0.10 0.36 -0.09 1.69 1.08 -1.79 -1.74 115.11 114.73 1y8m h GLN 21 Ca -0.27 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 56.77 1y8m h GLN 21 Cb 2.08 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.46 1y8m h GLN 21 CO 0.20 0.52 -0.25 1.25 -0.95 0.00 0.00 178.83 179.60 1y8m h LEU 22 N 0.16 0.16 -0.74 1.46 5.85 -1.55 -2.39 115.31 118.25 1y8m h LEU 22 Ca 0.07 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1y8m h LEU 22 Cb 0.33 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1y8m h LEU 22 CO 0.01 0.42 -0.61 -0.08 -0.34 0.00 0.00 178.44 177.83 1y8m h GLU 23 N 0.15 0.00 -0.29 1.25 4.81 -1.25 -3.05 114.58 116.20 1y8m h GLU 23 Ca 0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1y8m h GLU 23 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1y8m h GLU 23 CO 0.04 0.61 0.01 0.82 -0.73 0.00 0.00 179.01 179.76 1y8m h ILE 24 N 0.00 1.25 -0.43 2.32 2.04 -0.80 -1.36 117.51 120.53 1y8m h ILE 24 Ca -0.01 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1y8m h ILE 24 Cb 1.10 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1y8m h ILE 24 CO 0.08 0.29 0.29 -0.07 0.00 0.00 0.00 178.15 178.74 1y8m h LEU 25 N 0.31 0.47 -0.25 1.44 3.38 -1.47 -1.04 115.31 118.15 1y8m h LEU 25 Ca 0.08 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1y8m h LEU 25 Cb 0.41 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1y8m h LEU 25 CO 0.01 0.33 -0.40 -0.09 0.09 0.00 0.00 178.44 178.39 1y8m h ARG 26 N 0.55 0.72 -0.64 1.13 2.43 -1.36 -1.24 114.38 115.96 1y8m h ARG 26 Ca 0.16 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1y8m h ARG 26 Cb -0.01 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1y8m h ARG 26 CO -0.04 1.05 0.41 1.96 -1.51 0.00 0.00 179.97 181.84 1y8m h GLN 27 N 0.45 0.86 -0.21 0.20 4.20 -0.46 0.58 115.11 120.73 1y8m h GLN 27 Ca 0.02 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 1y8m h GLN 27 Cb 0.99 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1y8m h GLN 27 CO 0.09 0.60 -0.27 0.37 -0.67 0.00 0.00 178.83 178.94 1y8m h GLN 28 N 0.87 0.40 0.01 1.46 5.75 -1.15 0.46 115.11 122.91 1y8m h GLN 28 Ca 0.23 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1y8m h GLN 28 Cb -0.06 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1y8m h GLN 28 CO -0.05 0.64 -0.00 0.28 -2.65 0.00 0.00 178.83 177.05 1y8m h VAL 29 N 0.35 1.60 -0.47 2.39 2.07 -0.40 -3.19 116.25 118.60 1y8m h VAL 29 Ca 0.05 -1.91 -0.14 0.00 0.82 0.00 0.00 66.70 65.53 1y8m h VAL 29 Cb 0.67 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1y8m h VAL 29 CO 0.05 0.49 -0.25 0.58 0.02 0.00 0.00 177.57 178.46 1y8m h VAL 30 N -0.84 1.27 -0.56 2.57 2.07 0.15 0.33 116.25 121.24 1y8m h VAL 30 Ca -0.00 -1.42 0.11 0.00 0.82 0.00 0.00 66.70 66.21 1y8m h VAL 30 Cb 0.80 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1y8m h VAL 30 CO 0.00 0.49 0.38 -1.28 0.02 0.00 0.00 177.57 177.18 1y8m h SER 31 N 0.85 0.24 0.94 0.57 0.87 -0.19 0.47 113.55 117.30 1y8m h SER 31 Ca 0.10 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1y8m h SER 31 Cb 0.84 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1y8m h SER 31 CO 0.07 0.14 -0.09 -0.62 -0.53 0.00 0.00 176.83 175.80 1y8m n GLU 32 N -4.45 0.02 0.00 2.24 -0.58 -1.10 -4.85 120.64 111.92 1y8m n GLU 32 Ca 0.09 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1y8m n GLU 32 Cb 0.44 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1y8m n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y8m n GLY 33 N 1.49 1.21 0.93 0.62 0.00 0.16 -4.50 105.19 105.10 1y8m n GLY 33 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1y8m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 34 N 0.00 1.02 0.34 -0.02 0.00 0.11 -4.37 105.19 102.27 1y8m n GLY 34 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.23 1y8m n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y8m h PRO 35 N 0.00 0.52 -0.07 1.61 0.11 -1.94 0.11 132.00 132.35 1y8m h PRO 35 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1y8m h PRO 35 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1y8m h PRO 35 CO 0.00 0.35 0.00 0.25 -0.21 0.00 0.00 178.00 178.39 1y8m n THR 36 N -4.47 0.00 -1.95 -1.15 -2.24 -1.26 -4.80 114.28 98.40 1y8m n THR 36 Ca 0.08 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 1y8m n THR 36 Cb 0.24 -0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1y8m n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y8m s ALA 37 N -1.90 2.84 1.04 6.98 0.00 0.02 -4.84 121.76 125.91 1y8m s ALA 37 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 1y8m s ALA 37 Cb 0.00 -3.17 0.09 0.00 0.00 0.00 0.00 23.12 20.04 1y8m s ALA 37 CO 0.00 -0.79 0.30 0.25 0.00 0.00 0.00 175.76 175.52 1y8m n THR 38 N -2.36 0.00 -0.16 0.00 -2.24 -1.26 -4.71 114.28 103.55 1y8m n THR 38 Ca 0.08 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 1y8m n THR 38 Cb 0.53 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1y8m n THR 38 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1y8m h ILE 39 N -1.90 1.27 -0.14 2.28 1.08 -1.95 -2.34 117.51 115.81 1y8m h ILE 39 Ca -0.50 -1.17 0.04 0.00 -0.39 0.00 0.00 64.86 62.85 1y8m h ILE 39 Cb 1.32 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 1y8m h ILE 39 CO 0.38 0.40 0.12 1.56 -0.69 0.00 0.00 178.15 179.91 1y8m h GLN 40 N 0.71 0.00 -0.03 2.37 1.08 -1.98 0.51 115.11 117.77 1y8m h GLN 40 Ca 0.12 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1y8m h GLN 40 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1y8m h GLN 40 CO 0.04 0.00 -0.20 0.77 -0.95 0.00 0.00 178.83 178.48 1y8m h SER 41 N 0.00 0.23 -0.18 1.46 0.02 -1.75 -2.29 113.55 111.04 1y8m h SER 41 Ca 0.07 -0.69 -0.17 0.00 -0.84 0.00 0.00 61.79 60.16 1y8m h SER 41 Cb 0.30 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1y8m h SER 41 CO -0.00 0.89 -0.50 -0.09 -1.14 0.00 0.00 176.83 175.98 1y8m h ARG 42 N -0.41 0.76 -0.93 3.45 9.65 -1.06 -2.58 114.38 123.25 1y8m h ARG 42 Ca -0.02 -0.45 -0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1y8m h ARG 42 Cb 0.89 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 1y8m h ARG 42 CO 0.04 1.08 0.56 0.35 2.80 0.00 0.00 179.97 184.80 1y8m h PHE 43 N 0.59 1.22 -0.32 2.20 3.57 -0.06 -2.42 116.94 121.73 1y8m h PHE 43 Ca 0.02 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1y8m h PHE 43 Cb 1.08 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1y8m h PHE 43 CO 0.06 0.81 -0.43 -0.97 -2.23 0.00 0.00 178.31 175.55 1y8m h ASN 44 N 1.28 0.86 -0.85 0.41 -0.00 -1.31 -2.68 115.58 113.29 1y8m h ASN 44 Ca 0.33 -0.41 0.10 0.00 -0.00 0.00 0.00 56.30 56.32 1y8m h ASN 44 Cb -0.06 -0.24 -0.06 0.00 -0.00 0.00 0.00 38.32 37.96 1y8m h ASN 44 CO -0.06 1.17 0.55 0.22 -0.00 0.00 0.00 177.43 179.31 1y8m h TYR 45 N 0.64 0.88 -0.01 0.67 3.20 -1.03 0.22 116.97 121.54 1y8m h TYR 45 Ca 0.04 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 1y8m h TYR 45 Cb 1.00 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 1y8m h TYR 45 CO 0.06 0.41 -0.68 0.00 -1.64 0.00 0.00 178.16 176.30 1y8m h ALA 46 N 1.57 0.85 -0.15 1.82 0.00 -1.28 -2.96 119.26 119.11 1y8m h ALA 46 Ca 0.39 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1y8m h ALA 46 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y8m h ALA 46 CO -0.16 0.83 -0.01 2.35 0.00 0.00 0.00 179.25 182.27 1y8m h TRP 47 N 0.04 0.29 -0.69 0.00 -0.00 -0.64 -2.63 115.95 112.31 1y8m h TRP 47 Ca -0.01 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 58.80 1y8m h TRP 47 Cb 1.21 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 30.26 1y8m h TRP 47 CO 0.01 0.50 0.30 0.78 -0.00 0.00 0.00 178.44 180.03 1y8m h GLY 48 N 0.00 1.07 2.00 2.65 0.00 -1.41 -1.57 103.07 105.81 1y8m h GLY 48 Ca 0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1y8m h GLY 48 CO 0.01 0.51 -0.09 1.41 0.00 0.00 0.00 176.54 178.38 1y8m h LEU 49 N 0.99 0.00 -0.37 3.11 3.38 -1.37 -1.61 115.31 119.44 1y8m h LEU 49 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1y8m h LEU 49 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1y8m h LEU 49 CO -0.03 0.09 -0.82 0.40 0.09 0.00 0.00 178.44 178.17 1y8m h ILE 50 N 0.00 1.53 0.00 1.22 2.04 -0.92 -2.90 117.51 118.48 1y8m h ILE 50 Ca -0.00 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.20 1y8m h ILE 50 Cb 0.16 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1y8m h ILE 50 CO 0.01 0.77 0.00 0.29 0.00 0.00 0.00 178.15 179.22 1y8m n LYS 51 N -3.63 0.20 -1.02 2.37 5.02 -0.63 -4.81 118.16 115.66 1y8m n LYS 51 Ca -0.02 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 1y8m n LYS 51 Cb 0.78 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.42 1y8m n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y8m s SER 52 N -2.75 3.62 -0.04 4.39 0.15 -1.07 -4.46 113.70 113.55 1y8m s SER 52 Ca 0.18 1.88 0.05 0.00 0.70 0.00 0.00 55.95 58.77 1y8m s SER 52 Cb 0.16 -2.47 -0.24 0.00 -1.71 0.00 0.00 66.02 61.76 1y8m s SER 52 CO 0.40 -2.61 0.69 0.71 1.20 0.00 0.00 173.24 173.63 1y8m h THR 53 N -1.53 0.93 -4.02 6.45 1.35 -1.88 -3.47 112.91 110.75 1y8m h THR 53 Ca -0.45 -2.71 -0.48 0.00 -0.55 0.00 0.00 66.41 62.22 1y8m h THR 53 Cb 1.26 2.53 0.03 0.00 -1.73 0.00 0.00 68.15 70.24 1y8m h THR 53 CO 0.48 0.67 0.41 -1.81 -0.25 0.00 0.00 175.52 175.02 1y8m s ASP 54 N -6.50 6.49 0.36 5.36 1.11 -1.26 -4.93 116.67 117.30 1y8m s ASP 54 Ca -0.09 2.02 0.25 0.00 0.18 0.00 0.00 52.55 54.91 1y8m s ASP 54 Cb 0.08 -2.58 0.60 0.00 1.07 0.00 0.00 42.92 42.09 1y8m s ASP 54 CO 0.82 -0.68 1.70 1.62 1.18 0.00 0.00 175.17 179.81 1y8m h VAL 55 N 1.85 0.00 -0.00 -1.27 3.04 -1.96 -3.28 116.25 114.62 1y8m h VAL 55 Ca -0.49 -0.75 0.01 0.00 -1.01 0.00 0.00 66.70 64.45 1y8m h VAL 55 Cb 1.22 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 1y8m h VAL 55 CO 0.60 0.00 -0.02 0.78 -1.01 0.00 0.00 177.57 177.92 1y8m h ASN 56 N 0.00 -0.07 -0.55 3.17 4.21 -1.97 -1.60 115.58 118.77 1y8m h ASN 56 Ca 0.00 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.44 1y8m h ASN 56 Cb 0.85 0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 1y8m h ASN 56 CO 0.00 -0.04 0.02 0.44 -1.29 0.00 0.00 177.43 176.56 1y8m h ASP 57 N -0.04 0.97 -0.61 5.81 5.19 -1.84 -2.89 116.42 123.00 1y8m h ASP 57 Ca 0.01 -0.25 0.05 0.00 -0.62 0.00 0.00 57.03 56.21 1y8m h ASP 57 Cb 0.06 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.26 1y8m h ASP 57 CO -0.03 1.01 0.35 -0.33 -3.12 0.00 0.00 179.24 177.12 1y8m h GLU 58 N 0.92 0.64 0.00 3.56 5.08 -1.44 0.68 114.58 124.02 1y8m h GLU 58 Ca 0.17 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1y8m h GLU 58 Cb 0.51 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1y8m h GLU 58 CO 0.02 0.42 -0.10 0.00 -1.00 0.00 0.00 179.01 178.36 1y8m h ARG 59 N 0.66 0.00 -0.12 2.33 3.08 -1.11 -2.13 114.38 117.08 1y8m h ARG 59 Ca 0.27 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 1y8m h ARG 59 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1y8m h ARG 59 CO -0.15 0.10 -0.30 1.25 -1.07 0.00 0.00 179.97 179.79 1y8m h LEU 60 N 0.00 0.48 -0.51 3.04 7.12 -0.70 -2.65 115.31 122.09 1y8m h LEU 60 Ca -0.00 -0.58 -0.03 0.00 0.13 0.00 0.00 57.88 57.39 1y8m h LEU 60 Cb 0.25 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 1y8m h LEU 60 CO 0.01 0.97 0.19 1.23 -0.13 0.00 0.00 178.44 180.71 1y8m h GLY 61 N 0.00 0.82 0.88 3.75 0.00 -0.78 -1.88 103.07 105.87 1y8m h GLY 61 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1y8m h GLY 61 CO 0.07 0.43 0.34 -2.08 0.00 0.00 0.00 176.54 175.30 1y8m h VAL 62 N 0.68 1.07 -0.73 4.60 2.07 -1.44 0.38 116.25 122.88 1y8m h VAL 62 Ca 0.17 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1y8m h VAL 62 Cb 0.22 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1y8m h VAL 62 CO -0.01 0.12 0.38 0.50 0.02 0.00 0.00 177.57 178.58 1y8m h LYS 63 N 0.68 1.02 -0.03 1.57 3.64 -1.17 -1.28 116.57 121.00 1y8m h LYS 63 Ca 0.23 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1y8m h LYS 63 Cb 0.02 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1y8m h LYS 63 CO -0.10 0.77 -0.29 0.82 -2.27 0.00 0.00 179.45 178.39 1y8m h ILE 64 N 1.02 1.47 -0.33 2.00 2.04 -0.51 -2.50 117.51 120.71 1y8m h ILE 64 Ca 0.26 -1.80 0.09 0.00 1.00 0.00 0.00 64.86 64.40 1y8m h ILE 64 Cb 0.06 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1y8m h ILE 64 CO -0.04 0.51 0.24 -0.07 0.00 0.00 0.00 178.15 178.78 1y8m h LEU 65 N -0.32 0.02 0.00 1.44 3.38 -0.05 0.23 115.31 120.01 1y8m h LEU 65 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1y8m h LEU 65 Cb 0.98 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1y8m h LEU 65 CO 0.06 0.01 -0.76 0.74 0.09 0.00 0.00 178.44 178.59 1y8m h THR 66 N 0.03 1.23 0.01 0.22 2.02 -1.19 -1.25 112.91 113.98 1y8m h THR 66 Ca 0.16 -2.75 -0.08 0.00 0.77 0.00 0.00 66.41 64.51 1y8m h THR 66 Cb 0.59 2.60 0.01 0.00 -1.74 0.00 0.00 68.15 69.61 1y8m h THR 66 CO -0.01 0.70 -0.31 -0.78 0.37 0.00 0.00 175.52 175.50 1y8m h ASP 67 N 0.00 0.25 0.36 4.18 3.58 -0.35 -2.25 116.42 122.19 1y8m h ASP 67 Ca -0.01 -0.82 -0.08 0.00 0.42 0.00 0.00 57.03 56.54 1y8m h ASP 67 Cb 1.57 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.53 1y8m h ASP 67 CO 0.09 1.04 -0.36 0.40 -2.88 0.00 0.00 179.24 177.53 1y8m h ILE 68 N -0.52 1.26 -0.15 2.25 2.04 -0.77 -0.24 117.51 121.39 1y8m h ILE 68 Ca -0.04 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 1y8m h ILE 68 Cb 1.10 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1y8m h ILE 68 CO 0.06 0.35 -0.03 0.22 0.00 0.00 0.00 178.15 178.75 1y8m h TYR 69 N 0.00 0.32 0.00 1.37 5.03 -1.23 2.01 116.97 124.48 1y8m h TYR 69 Ca -0.00 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.18 1y8m h TYR 69 Cb 0.64 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1y8m h TYR 69 CO 0.00 0.56 -0.26 -0.22 -1.32 0.00 0.00 178.16 176.92 1y8m h LYS 70 N -0.01 0.00 0.00 1.82 3.64 -1.15 -3.28 116.57 117.60 1y8m h LYS 70 Ca 0.04 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.05 1y8m h LYS 70 Cb 0.46 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1y8m h LYS 70 CO 0.01 0.26 -2.39 -1.91 -2.27 0.00 0.00 179.45 173.16 1y8m n GLU 71 N -3.37 0.68 -3.56 1.90 4.07 -0.12 -4.74 120.64 115.50 1y8m n GLU 71 Ca 0.00 0.03 -0.40 0.00 -0.06 0.00 0.00 57.16 56.74 1y8m n GLU 71 Cb 0.48 -1.53 -0.06 0.00 -0.06 0.00 0.00 31.44 30.27 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y8m s ALA 72 N -2.50 4.00 0.00 4.31 0.00 0.68 -5.00 121.76 123.25 1y8m s ALA 72 Ca -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 51.96 48.31 1y8m s ALA 72 Cb 0.07 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1y8m s ALA 72 CO 0.78 -2.18 0.00 0.39 0.00 0.00 0.00 175.76 174.75 1y8m n GLU 73 N 3.23 0.00 -0.04 0.00 -0.58 -1.26 -2.96 120.64 119.03 1y8m n GLU 73 Ca 0.15 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.90 1y8m n GLU 73 Cb 0.40 -0.42 0.03 0.00 -0.57 0.00 0.00 31.44 30.88 1y8m n GLU 73 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1y8m n SER 74 N 0.00 -0.02 -0.86 1.62 7.64 -1.26 0.30 113.62 121.05 1y8m n SER 74 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1y8m n SER 74 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1y8m n SER 74 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1y8m n ARG 75 N -3.92 0.54 0.01 1.43 3.00 -1.15 -3.62 116.66 112.95 1y8m n ARG 75 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.69 1y8m n ARG 75 Cb 0.08 -1.24 -0.09 0.00 0.00 0.00 0.00 32.46 31.20 1y8m n ARG 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1y8m h ARG 76 N 0.79 0.69 -0.26 -0.14 2.43 0.45 -3.08 114.38 115.27 1y8m h ARG 76 Ca 0.00 -0.68 0.05 0.00 -0.81 0.00 0.00 59.98 58.55 1y8m h ARG 76 Cb 0.46 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1y8m h ARG 76 CO 0.00 1.27 -0.09 0.00 -1.51 0.00 0.00 179.97 179.64 1y8m h ARG 77 N 0.37 -0.03 -0.12 0.20 -0.00 -1.81 0.12 114.38 113.10 1y8m h ARG 77 Ca -0.10 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.34 1y8m h ARG 77 Cb 1.54 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.51 1y8m h ARG 77 CO 0.18 -0.02 -0.14 0.93 0.00 0.00 0.00 179.97 180.91 1y8m h GLU 78 N -0.03 0.18 0.00 0.04 3.07 -1.86 -2.79 114.58 113.19 1y8m h GLU 78 Ca 0.13 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1y8m h GLU 78 Cb 0.23 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1y8m h GLU 78 CO -0.28 0.33 -0.00 0.00 -1.40 0.00 0.00 179.01 177.66 1y8m h LEU 80 N -0.65 0.36 -0.17 0.00 3.38 -0.74 0.96 115.31 118.44 1y8m h LEU 80 Ca -0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1y8m h LEU 80 Cb 0.64 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1y8m h LEU 80 CO 0.00 0.22 -0.04 0.22 0.09 0.00 0.00 178.44 178.93 1y8m h TYR 81 N 0.52 0.37 -0.29 1.13 3.20 -1.56 -2.35 116.97 117.99 1y8m h TYR 81 Ca 0.31 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1y8m h TYR 81 Cb 0.33 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1y8m h TYR 81 CO -0.13 0.59 -0.25 1.88 -1.64 0.00 0.00 178.16 178.61 1y8m h TYR 82 N 0.05 0.65 -0.50 -3.82 -1.99 -0.72 -2.75 116.97 107.88 1y8m h TYR 82 Ca 0.04 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.56 1y8m h TYR 82 Cb 0.47 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1y8m h TYR 82 CO 0.05 0.77 0.03 -0.07 -0.00 0.00 0.00 178.16 178.94 1y8m h LEU 83 N 0.50 0.78 -0.79 3.88 3.38 0.10 0.16 115.31 123.33 1y8m h LEU 83 Ca 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1y8m h LEU 83 Cb 0.70 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1y8m h LEU 83 CO 0.05 0.83 0.46 0.74 0.09 0.00 0.00 178.44 180.61 1y8m h THR 84 N 0.77 1.23 0.01 0.22 2.02 -1.14 0.49 112.91 116.51 1y8m h THR 84 Ca 0.15 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1y8m h THR 84 Cb 0.42 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1y8m h THR 84 CO 0.02 0.24 -0.00 0.40 0.37 0.00 0.00 175.52 176.54 1y8m h ILE 85 N 1.09 1.48 -0.19 3.11 2.04 -1.20 -0.78 117.51 123.05 1y8m h ILE 85 Ca 0.28 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1y8m h ILE 85 Cb -0.01 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1y8m h ILE 85 CO -0.05 0.38 -0.00 1.23 0.00 0.00 0.00 178.15 179.71 1y8m h GLY 86 N -0.65 0.30 1.50 5.37 0.00 -0.57 -2.40 103.07 106.62 1y8m h GLY 86 Ca -0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 1y8m h GLY 86 CO 0.00 0.14 -1.05 0.00 0.00 0.00 0.00 176.54 175.63 1y8m h TYR 88 N 0.22 0.48 0.00 0.00 3.20 -0.61 -0.08 116.97 120.18 1y8m h TYR 88 Ca -0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1y8m h TYR 88 Cb 1.71 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.85 1y8m h TYR 88 CO 0.07 0.18 -0.06 0.87 -1.64 0.00 0.00 178.16 177.59 1y8m h LYS 89 N 0.49 0.00 -0.64 1.82 1.79 -1.59 0.14 116.57 118.59 1y8m h LYS 89 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1y8m h LYS 89 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1y8m h LYS 89 CO -0.24 0.06 0.00 1.28 -1.08 0.00 0.00 179.45 179.47 1y8m n LEU 90 N -3.80 4.22 -1.98 2.94 4.77 -0.10 -4.90 117.00 118.15 1y8m n LEU 90 Ca -0.02 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1y8m n LEU 90 Cb 0.15 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1y8m n LEU 90 CO 0.29 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1y8m n GLY 91 N 0.90 -0.35 2.07 -0.72 0.00 0.50 -4.69 105.19 102.90 1y8m n GLY 91 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1y8m n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y8m n GLU 92 N -1.93 1.94 0.24 1.61 -0.58 -1.07 -4.66 120.64 116.20 1y8m n GLU 92 Ca 0.00 -1.49 0.05 0.00 -0.42 0.00 0.00 57.16 55.29 1y8m n GLU 92 Cb 0.35 -1.80 0.26 0.00 -0.57 0.00 0.00 31.44 29.68 1y8m n GLU 92 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1y8m h TYR 93 N 2.28 0.00 -0.57 -0.32 0.05 -1.83 0.25 116.97 116.83 1y8m h TYR 93 Ca 0.26 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.96 1y8m h TYR 93 Cb 0.99 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 1y8m h TYR 93 CO 1.17 0.00 0.03 0.66 -1.05 0.00 0.00 178.16 178.98 1y8m h SER 94 N 0.00 0.96 0.00 3.88 4.64 -1.97 0.26 113.55 121.32 1y8m h SER 94 Ca 0.00 -0.29 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 1y8m h SER 94 Cb 1.22 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1y8m h SER 94 CO 0.00 1.01 -0.50 0.24 -0.87 0.00 0.00 176.83 176.71 1y8m h MET 95 N 0.87 0.33 -0.79 4.77 2.86 -0.90 -3.03 114.93 119.05 1y8m h MET 95 Ca 0.16 -0.36 0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1y8m h MET 95 Cb 0.50 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.20 1y8m h MET 95 CO 0.02 1.05 0.44 0.00 1.06 0.00 0.00 176.91 179.49 1y8m h ALA 96 N 0.29 1.11 -0.23 6.32 0.00 -1.43 -1.84 119.26 123.48 1y8m h ALA 96 Ca -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y8m h ALA 96 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1y8m h ALA 96 CO 0.10 0.08 0.14 -0.22 0.00 0.00 0.00 179.25 179.35 1y8m h LYS 97 N 0.76 0.32 -0.78 0.00 3.64 -0.97 0.10 116.57 119.64 1y8m h LYS 97 Ca 0.38 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 1y8m h LYS 97 Cb 0.33 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1y8m h LYS 97 CO -0.24 0.26 0.29 0.00 -2.27 0.00 0.00 179.45 177.50 1y8m h ARG 98 N 0.29 1.18 0.00 1.90 3.08 -1.29 0.10 114.38 119.64 1y8m h ARG 98 Ca 0.08 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1y8m h ARG 98 Cb 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1y8m h ARG 98 CO -0.02 0.97 -0.00 1.88 -1.07 0.00 0.00 179.97 181.73 1y8m h TYR 99 N 1.14 -0.00 -0.52 3.04 0.05 -1.15 -2.84 116.97 116.69 1y8m h TYR 99 Ca 0.26 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.00 1y8m h TYR 99 Cb 0.24 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1y8m h TYR 99 CO 0.02 0.69 0.18 -0.24 -1.05 0.00 0.00 178.16 177.76 1y8m h VAL 100 N -0.70 1.20 -0.27 -2.88 3.04 -0.80 -2.21 116.25 113.64 1y8m h VAL 100 Ca -0.00 -0.67 0.01 0.00 -1.01 0.00 0.00 66.70 65.03 1y8m h VAL 100 Cb 0.69 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 1y8m h VAL 100 CO 0.00 0.26 0.14 -0.78 -1.01 0.00 0.00 177.57 176.18 1y8m h ASP 101 N 0.75 0.22 -0.55 3.17 3.58 -0.82 0.37 116.42 123.14 1y8m h ASP 101 Ca 0.17 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1y8m h ASP 101 Cb 0.20 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1y8m h ASP 101 CO -0.01 0.17 0.31 0.74 -2.88 0.00 0.00 179.24 177.57 1y8m h THR 102 N 0.30 1.18 -0.11 2.25 2.02 -1.21 0.37 112.91 117.70 1y8m h THR 102 Ca 0.11 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1y8m h THR 102 Cb 0.02 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1y8m h THR 102 CO -0.06 0.19 0.01 0.25 0.37 0.00 0.00 175.52 176.27 1y8m h LEU 103 N 0.73 0.18 -0.99 2.58 5.85 -0.93 -1.21 115.31 121.53 1y8m h LEU 103 Ca 0.19 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1y8m h LEU 103 Cb 0.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1y8m h LEU 103 CO -0.03 0.43 -0.12 0.15 -0.34 0.00 0.00 178.44 178.53 1y8m h PHE 104 N -0.07 0.64 -0.32 1.25 3.57 -0.08 -2.72 116.94 119.21 1y8m h PHE 104 Ca 0.03 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1y8m h PHE 104 Cb 0.33 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1y8m h PHE 104 CO 0.03 0.69 0.15 1.49 -2.23 0.00 0.00 178.31 178.44 1y8m h GLU 105 N 0.54 0.46 -5.74 1.11 4.57 -0.09 -3.44 114.58 111.99 1y8m h GLU 105 Ca 0.10 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.06 1y8m h GLU 105 Cb 0.53 -0.08 0.08 0.00 -0.16 0.00 0.00 28.75 29.12 1y8m h GLU 105 CO 0.03 0.44 -0.08 1.58 -1.18 0.00 0.00 179.01 179.80 1y8m n HIS 106 N -4.75 -2.24 -1.26 0.92 -0.00 -0.47 -5.00 115.22 102.42 1y8m n HIS 106 Ca -0.01 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1y8m n HIS 106 Cb 0.11 -1.37 0.00 0.00 -0.12 0.00 0.00 29.99 28.61 1y8m n HIS 106 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1y8m n GLU 107 N -0.98 0.96 0.00 1.57 2.13 -1.26 -4.79 120.64 118.27 1y8m n GLU 107 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1y8m n GLU 107 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.94 1y8m n GLU 107 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1y8m n ARG 108 N -0.55 0.00 -1.13 5.31 3.00 -1.26 -4.92 116.66 117.10 1y8m n ARG 108 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.00 1y8m n ARG 108 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1y8m n ARG 108 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1y8m n ASN 109 N 8.93 -7.93 -3.61 6.15 3.02 -1.26 -5.00 115.26 115.55 1y8m n ASN 109 Ca 0.00 1.22 -0.08 0.00 -0.03 0.00 0.00 54.58 55.69 1y8m n ASN 109 Cb 0.00 -3.44 -0.02 0.00 -0.61 0.00 0.00 39.78 35.71 1y8m n ASN 109 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1y8m s ASN 110 N -6.44 -0.37 0.65 6.41 2.47 -1.26 -5.01 114.94 111.40 1y8m s ASN 110 Ca 0.00 -0.22 0.23 0.00 0.42 0.00 0.00 52.86 53.29 1y8m s ASN 110 Cb 0.00 0.55 1.22 0.00 -1.45 0.00 0.00 41.25 41.58 1y8m s ASN 110 CO 0.00 -0.95 1.69 0.07 -3.72 0.00 0.00 177.10 174.19 1y8m h LYS 111 N 2.00 0.00 0.00 0.43 2.10 -1.99 0.47 116.57 119.58 1y8m h LYS 111 Ca -0.26 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.28 1y8m h LYS 111 Cb 1.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1y8m h LYS 111 CO 0.30 0.00 -0.53 1.96 -2.00 0.00 0.00 179.45 179.18 1y8m h GLN 112 N 0.00 0.00 0.00 0.07 4.20 -1.99 -1.41 115.11 115.98 1y8m h GLN 112 Ca 0.06 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1y8m h GLN 112 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1y8m h GLN 112 CO -0.00 0.53 -0.19 0.28 -0.67 0.00 0.00 178.83 178.79 1y8m h VAL 113 N 0.00 1.57 -0.50 -0.54 2.07 -0.45 -1.02 116.25 117.38 1y8m h VAL 113 Ca -0.01 -1.94 0.06 0.00 0.82 0.00 0.00 66.70 65.64 1y8m h VAL 113 Cb 1.00 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 33.56 1y8m h VAL 113 CO 0.07 0.52 0.34 1.23 0.02 0.00 0.00 177.57 179.75 1y8m h GLY 114 N -0.58 0.54 0.37 2.17 0.00 -1.43 0.65 103.07 104.79 1y8m h GLY 114 Ca -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1y8m h GLY 114 CO 0.04 0.13 -0.20 0.00 0.00 0.00 0.00 176.54 176.51 1y8m h ALA 115 N 1.73 0.02 -0.73 3.60 0.00 -1.23 -2.66 119.26 119.99 1y8m h ALA 115 Ca 0.22 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1y8m h ALA 115 Cb 0.31 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1y8m h ALA 115 CO -0.06 0.05 0.43 1.25 0.00 0.00 0.00 179.25 180.92 1y8m h LEU 116 N -0.60 0.67 -2.05 0.00 5.85 -0.67 0.14 115.31 118.66 1y8m h LEU 116 Ca -0.03 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1y8m h LEU 116 Cb 0.98 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1y8m h LEU 116 CO 0.04 0.44 0.03 0.50 -0.34 0.00 0.00 178.44 179.11 1y8m h LYS 117 N 0.81 0.00 -0.03 1.25 3.64 -0.92 -1.14 116.57 120.18 1y8m h LYS 117 Ca 0.31 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1y8m h LYS 117 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1y8m h LYS 117 CO -0.16 0.00 -0.23 0.77 -2.27 0.00 0.00 179.45 177.56 1y8m h SER 118 N 0.00 0.05 -0.18 4.20 0.02 -0.35 0.34 113.55 117.64 1y8m h SER 118 Ca 0.02 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 1y8m h SER 118 Cb 0.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1y8m h SER 118 CO -0.00 0.28 -0.46 0.24 -1.14 0.00 0.00 176.83 175.76 1y8m h MET 119 N 0.05 0.63 0.01 3.45 2.86 -1.08 -0.09 114.93 120.75 1y8m h MET 119 Ca 0.01 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1y8m h MET 119 Cb 0.44 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1y8m h MET 119 CO 0.03 1.05 -0.01 0.28 1.06 0.00 0.00 176.91 179.33 1y8m h VAL 120 N 0.30 1.28 -0.13 -2.22 2.07 -1.35 -1.47 116.25 114.74 1y8m h VAL 120 Ca -0.01 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.49 1y8m h VAL 120 Cb 1.07 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1y8m h VAL 120 CO 0.10 0.23 -0.48 -0.33 0.02 0.00 0.00 177.57 177.11 1y8m h GLU 121 N -0.40 0.33 -0.26 1.57 4.39 -0.40 -1.69 114.58 118.12 1y8m h GLU 121 Ca -0.00 -0.18 -0.14 0.00 0.34 0.00 0.00 59.36 59.37 1y8m h GLU 121 Cb 0.39 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1y8m h GLU 121 CO 0.00 0.74 -0.39 0.22 -1.16 0.00 0.00 179.01 178.42 1y8m h ASP 122 N 0.26 0.80 0.43 1.42 1.82 -1.01 -1.87 116.42 118.27 1y8m h ASP 122 Ca 0.01 -0.51 -0.14 0.00 -0.39 0.00 0.00 57.03 56.00 1y8m h ASP 122 Cb 0.95 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 1y8m h ASP 122 CO 0.08 1.16 -0.61 0.11 -1.61 0.00 0.00 179.24 178.37 1y8m h LYS 123 N 0.47 0.18 0.00 0.28 1.79 -1.21 -2.65 116.57 115.41 1y8m h LYS 123 Ca 0.03 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 1y8m h LYS 123 Cb 0.98 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1y8m h LYS 123 CO 0.09 0.73 -0.31 0.82 -1.08 0.00 0.00 179.45 179.70 1y8m h ILE 124 N 0.13 0.65 -0.31 1.86 2.04 -1.25 -2.78 117.51 117.85 1y8m h ILE 124 Ca -0.01 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.31 1y8m h ILE 124 Cb 1.10 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.15 1y8m h ILE 124 CO 0.09 0.30 -0.12 -0.61 0.00 0.00 0.00 178.15 177.81 1y8m h GLN 125 N 0.00 0.54 -0.31 2.37 4.15 -0.97 -2.41 115.11 118.47 1y8m h GLN 125 Ca -0.00 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.13 1y8m h GLN 125 Cb 0.96 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1y8m h GLN 125 CO 0.04 0.65 -0.32 -0.22 -1.93 0.00 0.00 178.83 177.05 1y8m h LYS 126 N 0.49 0.68 -0.86 1.69 3.64 -1.40 -2.43 116.57 118.39 1y8m h LYS 126 Ca 0.09 -0.31 0.25 0.00 -1.27 0.00 0.00 60.65 59.41 1y8m h LYS 126 Cb 0.51 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1y8m h LYS 126 CO 0.03 0.91 0.62 0.93 -2.27 0.00 0.00 179.45 179.66 1y8m h GLU 127 N 0.57 0.00 0.00 1.90 5.08 -1.35 -3.47 114.58 117.32 1y8m h GLU 127 Ca 0.06 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.57 1y8m h GLU 127 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1y8m h GLU 127 CO 0.07 0.00 -0.20 2.41 -1.00 0.00 0.00 179.01 180.29 1y8m n THR 128 N -4.28 0.00 0.16 1.13 -1.04 -0.92 -3.92 114.28 105.42 1y8m n THR 128 Ca 0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.02 1y8m n THR 128 Cb 0.93 -0.18 -0.10 0.00 -1.82 0.00 0.00 70.33 69.15 1y8m n THR 128 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1y8m h LEU 129 N 0.00 -1.55-10.04 -4.42 4.07 -1.90 -3.41 115.31 98.05 1y8m h LEU 129 Ca 0.01 0.15 -0.53 0.00 0.08 0.00 0.00 57.88 57.59 1y8m h LEU 129 Cb 0.49 0.56 0.20 0.00 1.08 0.00 0.00 40.66 42.99 1y8m h LEU 129 CO 0.00 -0.59 -0.05 0.29 -1.08 0.00 0.00 178.44 177.01 1y8m n LYS 130 N -5.50 -0.16 -3.78 1.13 5.02 -1.25 -5.01 118.16 108.60 1y8m n LYS 130 Ca -0.09 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.20 1y8m n LYS 130 Cb 0.43 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1y8m n LYS 130 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1y8m s GLY 131 N -2.19 -0.18 0.00 0.72 0.00 -1.26 -4.84 107.32 99.56 1y8m s GLY 131 Ca 0.65 0.17 0.20 0.00 0.00 0.00 0.00 44.72 45.74 1y8m s GLY 131 CO 0.59 1.57 1.57 3.33 0.00 0.00 0.00 173.10 180.16 1y8m n VAL 132 N -0.61 0.05 0.00 1.40 0.24 -1.26 -4.25 118.33 113.90 1y8m n VAL 132 Ca -0.05 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1y8m n VAL 132 Cb 0.61 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 1y8m n VAL 132 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1y8m n VAL 133 N -1.03 0.00 -1.05 3.34 0.24 -1.26 -4.70 118.33 113.86 1y8m n VAL 133 Ca 0.14 0.17 -0.35 0.00 -2.04 0.00 0.00 64.34 62.27 1y8m n VAL 133 Cb 0.08 -1.06 0.09 0.00 -1.47 0.00 0.00 33.84 31.47 1y8m n VAL 133 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1y8m n VAL 134 N 0.00 0.96 -2.53 3.34 0.31 -1.26 -4.34 118.33 114.81 1y8m n VAL 134 Ca 0.00 -0.31 -0.03 0.00 -0.01 0.00 0.00 64.34 63.99 1y8m n VAL 134 Cb 0.00 -0.67 -0.02 0.00 -0.91 0.00 0.00 33.84 32.24 1y8m n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y8m n ALA 135 N -2.91 -2.68 -0.86 3.52 0.00 -1.26 -4.90 120.51 111.42 1y8m n ALA 135 Ca 0.08 1.40 0.00 0.00 0.00 0.00 0.00 53.44 54.92 1y8m n ALA 135 Cb 0.52 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.97 1y8m n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y8m n GLY 136 N 1.88 -3.00 2.60 0.00 0.00 -1.26 -4.69 105.19 100.72 1y8m n GLY 136 Ca -0.22 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1y8m n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y8m s GLY 137 N -0.14 0.44 0.00 -0.02 0.00 -1.26 -4.96 107.32 101.37 1y8m s GLY 137 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1y8m s GLY 137 CO 0.00 2.41 0.00 -0.62 0.00 0.00 0.00 173.10 174.89 1y8m n VAL 138 N 4.08 0.00 -3.61 1.40 0.31 -1.26 -5.02 118.33 114.22 1y8m n VAL 138 Ca 0.12 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.20 1y8m n VAL 138 Cb 0.41 -0.04 0.04 0.00 -0.91 0.00 0.00 33.84 33.34 1y8m n VAL 138 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1y8m n HIS 139 N 0.00 -2.01 -4.33 3.52 -0.00 -1.26 -4.59 115.22 106.55 1y8m n HIS 139 Ca 0.00 0.63 0.00 0.00 0.46 0.00 0.00 57.72 58.81 1y8m n HIS 139 Cb 0.00 -3.79 0.00 0.00 -0.12 0.00 0.00 29.99 26.08 1y8m n HIS 139 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1y8m n HIS 140 N -4.02 -0.84 -1.58 1.57 -0.00 -1.26 -4.77 115.22 104.32 1y8m n HIS 140 Ca -0.14 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.92 1y8m n HIS 140 Cb 0.62 0.17 -0.04 0.00 -0.12 0.00 0.00 29.99 30.62 1y8m n HIS 140 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1y8m n HIS 141 N 0.00 -0.67 0.62 1.57 8.25 -1.26 -4.72 115.22 119.01 1y8m n HIS 141 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1y8m n HIS 141 Cb 0.00 -2.45 0.03 0.00 1.12 0.00 0.00 29.99 28.69 1y8m n HIS 141 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1y8m n HIS 142 N -2.12 0.00 -1.73 4.41 -0.00 -1.26 -4.88 115.22 109.63 1y8m n HIS 142 Ca -0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.42 1y8m n HIS 142 Cb 0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.35 1y8m n HIS 142 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1y8m s HIS 143 N -1.47 1.37 -2.14 1.57 3.76 -1.26 -5.21 115.29 111.92 1y8m s HIS 143 Ca 0.14 1.60 0.31 0.00 -0.15 0.00 0.00 55.06 56.96 1y8m s HIS 143 Cb 0.12 -3.61 1.67 0.00 1.11 0.00 0.00 32.58 31.87 1y8m s HIS 143 CO 0.27 -1.44 2.10 -2.39 -0.85 0.00 0.00 174.74 172.42