#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 0.00 -3.62 3.17 -2.24 -1.26 -4.24 114.28 106.09 1y8m n THR 2 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1y8m n THR 2 Cb 0.00 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.50 3.28 0.07 -0.78 1.02 -1.26 -5.00 119.74 116.57 1y8m s LYS 3 Ca 0.00 -3.19 -0.26 0.00 0.02 0.00 0.00 55.97 52.54 1y8m s LYS 3 Cb 0.00 -3.99 0.08 0.00 -0.52 0.00 0.00 37.83 33.41 1y8m s LYS 3 CO 0.00 -1.25 0.73 0.54 -0.92 0.00 0.00 175.35 174.45 1y8m s VAL 4 N -1.19 0.00 -0.88 3.17 0.11 -1.26 -5.06 120.40 115.29 1y8m s VAL 4 Ca 0.26 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.13 1y8m s VAL 4 Cb -0.09 -1.00 -0.23 0.00 -1.53 0.00 0.00 36.38 33.53 1y8m s VAL 4 CO -0.11 0.00 2.30 0.47 -3.33 0.00 0.00 175.10 174.43 1y8m n ASP 5 N -0.21 0.32 -4.91 3.54 9.92 -1.26 -4.88 116.55 119.08 1y8m n ASP 5 Ca -0.14 -1.06 -0.28 0.00 -0.53 0.00 0.00 54.79 52.78 1y8m n ASP 5 Cb 0.63 -1.15 -0.03 0.00 -0.64 0.00 0.00 41.12 39.93 1y8m n ASP 5 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1y8m s PHE 6 N 8.13 3.48 0.28 1.24 -0.12 -1.26 -5.08 117.98 124.65 1y8m s PHE 6 Ca 1.11 0.65 -0.12 0.00 -0.05 0.00 0.00 56.93 58.51 1y8m s PHE 6 Cb -0.46 -2.11 -0.08 0.00 -0.63 0.00 0.00 43.02 39.74 1y8m s PHE 6 CO 0.30 0.14 0.65 -1.58 -0.05 0.00 0.00 175.22 174.69 1y8m s TRP 7 N -2.13 3.40 1.00 3.49 0.51 -1.26 -5.05 118.94 118.90 1y8m s TRP 7 Ca 0.44 1.06 -0.12 0.00 -2.12 0.00 0.00 56.10 55.36 1y8m s TRP 7 Cb -0.11 -2.41 0.17 0.00 -0.81 0.00 0.00 33.47 30.31 1y8m s TRP 7 CO 0.31 0.17 0.93 -0.35 -0.51 0.00 0.00 176.95 177.50 1y8m n PRO 8 N -0.29 -1.03 -2.81 4.98 -0.04 -1.26 -4.99 135.00 129.56 1y8m n PRO 8 Ca 0.02 -0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 62.95 1y8m n PRO 8 Cb 0.53 -2.20 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 1y8m n PRO 8 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y8m s THR 9 N -2.52 4.87 0.27 0.52 -4.23 -1.26 -4.97 115.64 108.32 1y8m s THR 9 Ca 0.65 0.37 0.13 0.00 -1.18 0.00 0.00 61.69 61.66 1y8m s THR 9 Cb -0.23 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 69.87 1y8m s THR 9 CO 0.62 -0.65 1.70 0.25 -0.54 0.00 0.00 174.62 176.00 1y8m h LEU 10 N 0.84 0.00 -1.68 4.79 5.85 -1.98 -2.62 115.31 120.50 1y8m h LEU 10 Ca -0.47 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1y8m h LEU 10 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1y8m h LEU 10 CO 0.63 0.49 0.02 0.50 -0.34 0.00 0.00 178.44 179.74 1y8m h LYS 11 N 0.00 0.22 -0.12 1.25 3.64 -2.01 -0.58 116.57 118.97 1y8m h LYS 11 Ca -0.00 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1y8m h LYS 11 Cb 0.93 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1y8m h LYS 11 CO 0.06 0.23 0.18 -0.44 -2.27 0.00 0.00 179.45 177.21 1y8m h ASP 12 N 0.22 0.00 -0.30 4.20 5.19 -1.86 -0.68 116.42 123.20 1y8m h ASP 12 Ca 0.06 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1y8m h ASP 12 Cb 0.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1y8m h ASP 12 CO -0.00 0.00 0.09 0.00 -3.12 0.00 0.00 179.24 176.21 1y8m h ALA 13 N 1.76 1.46 -0.00 3.45 0.00 -1.24 -1.54 119.26 123.15 1y8m h ALA 13 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y8m h ALA 13 Cb 0.41 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1y8m h ALA 13 CO -0.00 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.31 1y8m n TYR 14 N -4.34 0.01 -3.74 0.00 4.01 -0.26 -4.61 117.16 108.23 1y8m n TYR 14 Ca 0.02 -0.10 -0.37 0.00 -0.16 0.00 0.00 57.90 57.30 1y8m n TYR 14 Cb 0.19 -0.13 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 1y8m n TYR 14 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1y8m s GLU 15 N -0.82 2.08 0.67 -0.72 2.56 -0.58 -5.09 118.70 116.80 1y8m s GLU 15 Ca 0.00 -1.81 -0.17 0.00 0.00 0.00 0.00 54.97 52.99 1y8m s GLU 15 Cb 0.00 -3.64 0.00 0.00 2.00 0.00 0.00 34.13 32.49 1y8m s GLU 15 CO 0.00 -1.09 1.24 -2.14 -0.56 0.00 0.00 175.26 172.70 1y8m s PRO 16 N 1.18 2.49 0.23 4.30 0.02 -1.26 -4.97 135.00 136.99 1y8m s PRO 16 Ca 0.08 1.88 0.06 0.00 0.02 0.00 0.00 61.00 63.04 1y8m s PRO 16 Cb -0.23 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1y8m s PRO 16 CO -0.04 -1.59 0.22 -0.51 -0.33 0.00 0.00 177.00 174.75 1y8m s LEU 17 N -4.61 3.93 0.46 -5.54 1.43 -1.26 -5.11 118.68 107.98 1y8m s LEU 17 Ca 0.78 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1y8m s LEU 17 Cb -0.32 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 1y8m s LEU 17 CO 0.40 -0.02 0.79 -0.31 0.23 0.00 0.00 176.35 177.44 1y8m s TYR 18 N -2.02 3.53 0.61 0.29 2.02 -1.26 -4.95 117.35 115.57 1y8m s TYR 18 Ca 0.33 0.91 0.33 0.00 -0.37 0.00 0.00 57.07 58.27 1y8m s TYR 18 Cb -0.09 -2.36 1.93 0.00 -0.40 0.00 0.00 41.96 41.04 1y8m s TYR 18 CO 0.26 -0.23 2.26 -1.00 -1.57 0.00 0.00 175.55 175.27 1y8m h PRO 19 N 0.59 0.00 0.05 -1.71 0.13 -2.00 -2.28 132.00 126.77 1y8m h PRO 19 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1y8m h PRO 19 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1y8m h PRO 19 CO 0.63 0.00 -0.69 1.96 -0.23 0.00 0.00 178.00 179.67 1y8m h GLN 20 N 0.00 0.39 -0.89 0.86 1.08 -1.99 -2.64 115.11 111.91 1y8m h GLN 20 Ca 0.01 -0.47 0.03 0.00 -1.45 0.00 0.00 58.65 56.76 1y8m h GLN 20 Cb 0.07 0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 1y8m h GLN 20 CO -0.00 1.15 0.59 1.96 -0.95 0.00 0.00 178.83 181.58 1y8m h GLN 21 N -0.17 1.11 -0.21 1.46 1.08 -1.80 0.22 115.11 116.80 1y8m h GLN 21 Ca -0.10 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 56.87 1y8m h GLN 21 Cb 1.43 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1y8m h GLN 21 CO 0.13 0.73 -0.55 1.25 -0.95 0.00 0.00 178.83 179.45 1y8m h LEU 22 N 1.14 0.69 -0.38 1.46 5.85 -1.55 -2.99 115.31 119.53 1y8m h LEU 22 Ca 0.35 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1y8m h LEU 22 Cb -0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1y8m h LEU 22 CO -0.10 1.10 -0.76 -0.33 -0.34 0.00 0.00 178.44 178.01 1y8m h GLU 23 N 0.48 0.00 0.52 1.25 5.08 -0.99 -3.07 114.58 117.84 1y8m h GLU 23 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1y8m h GLU 23 Cb 1.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1y8m h GLU 23 CO 0.11 0.76 -0.25 0.82 -1.00 0.00 0.00 179.01 179.45 1y8m h ILE 24 N 0.00 0.49 -0.91 3.13 2.04 -0.48 -0.87 117.51 120.91 1y8m h ILE 24 Ca -0.01 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 65.97 1y8m h ILE 24 Cb 1.40 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 1y8m h ILE 24 CO 0.10 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.77 1y8m h LEU 25 N -0.70 0.73 -1.49 1.44 3.38 -1.57 0.25 115.31 117.34 1y8m h LEU 25 Ca -0.07 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1y8m h LEU 25 Cb 0.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1y8m h LEU 25 CO 0.12 0.39 -0.26 -0.09 0.09 0.00 0.00 178.44 178.68 1y8m h ARG 26 N 0.78 0.00 -0.67 1.13 2.43 -1.30 -1.60 114.38 115.15 1y8m h ARG 26 Ca 0.45 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.54 1y8m h ARG 26 Cb 0.62 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1y8m h ARG 26 CO -0.21 0.26 0.12 0.37 -1.51 0.00 0.00 179.97 178.99 1y8m h GLN 27 N 0.00 1.11 -0.02 0.20 -0.00 0.89 0.20 115.11 117.48 1y8m h GLN 27 Ca -0.00 -0.29 -0.10 0.00 -0.00 0.00 0.00 58.65 58.25 1y8m h GLN 27 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.80 1y8m h GLN 27 CO 0.03 1.01 -0.46 1.96 0.00 0.00 0.00 178.83 181.38 1y8m h GLN 28 N 1.03 0.05 0.01 1.69 4.20 -0.98 0.62 115.11 121.73 1y8m h GLN 28 Ca 0.20 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 1y8m h GLN 28 Cb 0.43 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.22 1y8m h GLN 28 CO 0.01 0.50 -0.33 0.28 -0.67 0.00 0.00 178.83 178.62 1y8m h VAL 29 N 0.04 1.54 -0.22 -0.54 2.07 -0.66 -2.37 116.25 116.11 1y8m h VAL 29 Ca -0.00 -2.03 -0.16 0.00 0.82 0.00 0.00 66.70 65.33 1y8m h VAL 29 Cb 0.83 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1y8m h VAL 29 CO 0.06 0.56 -0.48 0.58 0.02 0.00 0.00 177.57 178.31 1y8m h VAL 30 N -0.47 1.31 -0.56 2.57 2.07 -0.55 0.98 116.25 121.59 1y8m h VAL 30 Ca -0.04 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.73 1y8m h VAL 30 Cb 1.10 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 1y8m h VAL 30 CO 0.06 0.54 0.16 0.77 0.02 0.00 0.00 177.57 179.12 1y8m h SER 31 N 0.42 0.79 0.85 0.57 4.64 0.15 0.22 113.55 121.19 1y8m h SER 31 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1y8m h SER 31 Cb 1.09 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1y8m h SER 31 CO 0.11 0.76 0.00 -0.62 -0.87 0.00 0.00 176.83 176.20 1y8m n GLU 32 N -4.29 0.15 -1.15 4.77 1.02 -0.89 -4.92 120.64 115.33 1y8m n GLU 32 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1y8m n GLU 32 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1y8m n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y8m n GLY 33 N 1.42 0.80 0.00 0.62 0.00 0.77 -3.81 105.19 104.99 1y8m n GLY 33 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.34 0.00 0.53 -0.02 0.00 0.33 0.22 105.19 105.91 1y8m n GLY 34 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.37 1y8m n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y8m n PRO 35 N 0.00 0.01 -2.46 1.61 -0.02 -1.26 0.19 135.00 133.06 1y8m n PRO 35 Ca 0.00 0.90 0.01 0.00 -2.02 0.00 0.00 63.50 62.38 1y8m n PRO 35 Cb 0.00 -2.15 0.05 0.00 -0.02 0.00 0.00 33.50 31.38 1y8m n PRO 35 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1y8m n THR 36 N -3.31 0.84 -3.35 3.45 5.66 0.59 -5.10 114.28 113.07 1y8m n THR 36 Ca 0.29 -2.25 -0.34 0.00 -3.05 0.00 0.00 64.05 58.71 1y8m n THR 36 Cb 1.53 1.19 -0.06 0.00 -1.55 0.00 0.00 70.33 71.44 1y8m n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y8m s ALA 37 N -2.52 3.54 1.06 1.79 0.00 0.13 -4.63 121.76 121.13 1y8m s ALA 37 Ca 0.27 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 1y8m s ALA 37 Cb 0.34 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 21.02 1y8m s ALA 37 CO -0.08 0.46 0.21 0.25 0.00 0.00 0.00 175.76 176.60 1y8m n THR 38 N 0.36 0.00 -0.13 0.00 -2.24 -1.26 -4.86 114.28 106.15 1y8m n THR 38 Ca -0.02 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 1y8m n THR 38 Cb 0.52 -0.63 -0.02 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 -1.92 1.28 -0.10 2.28 1.08 -2.00 -2.85 117.51 115.29 1y8m h ILE 39 Ca -0.50 -1.26 0.03 0.00 -0.39 0.00 0.00 64.86 62.74 1y8m h ILE 39 Cb 1.33 1.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1y8m h ILE 39 CO 0.37 0.42 0.09 1.56 -0.69 0.00 0.00 178.15 179.91 1y8m h GLN 40 N 0.59 0.00 -0.08 2.37 4.20 -1.99 -0.61 115.11 119.59 1y8m h GLN 40 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1y8m h GLN 40 Cb 0.68 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1y8m h GLN 40 CO 0.05 0.00 0.00 0.77 -0.67 0.00 0.00 178.83 178.98 1y8m h SER 41 N 0.00 0.14 -0.22 1.46 0.02 -1.83 -1.95 113.55 111.17 1y8m h SER 41 Ca 0.05 -0.30 -0.20 0.00 -0.84 0.00 0.00 61.79 60.50 1y8m h SER 41 Cb 0.23 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.74 1y8m h SER 41 CO -0.00 0.41 -0.64 0.03 -1.14 0.00 0.00 176.83 175.49 1y8m h ARG 42 N -0.13 0.82 -0.21 3.45 3.08 -1.48 -2.57 114.38 117.34 1y8m h ARG 42 Ca 0.02 -0.59 0.05 0.00 0.07 0.00 0.00 59.98 59.54 1y8m h ARG 42 Cb 0.33 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1y8m h ARG 42 CO 0.00 1.21 -0.12 0.35 -1.07 0.00 0.00 179.97 180.35 1y8m h PHE 43 N 0.57 -0.28 -0.25 3.04 3.57 -1.09 -0.89 116.94 121.61 1y8m h PHE 43 Ca -0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1y8m h PHE 43 Cb 1.26 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1y8m h PHE 43 CO 0.08 -0.18 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.86 1y8m h ASN 44 N -0.10 0.46 -0.02 0.41 4.21 -1.38 -2.51 115.58 116.64 1y8m h ASN 44 Ca 0.12 -0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1y8m h ASN 44 Cb 0.27 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1y8m h ASN 44 CO -0.27 0.68 -0.09 0.22 -1.29 0.00 0.00 177.43 176.67 1y8m h TYR 45 N 0.41 0.28 0.00 1.19 3.20 -0.89 -1.67 116.97 119.49 1y8m h TYR 45 Ca 0.07 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 1y8m h TYR 45 Cb 0.61 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1y8m h TYR 45 CO 0.02 0.37 -0.62 0.00 -1.64 0.00 0.00 178.16 176.29 1y8m h ALA 46 N 1.65 0.95 -0.27 1.82 0.00 -0.76 -3.00 119.26 119.66 1y8m h ALA 46 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1y8m h ALA 46 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1y8m h ALA 46 CO 0.02 0.78 0.02 2.35 0.00 0.00 0.00 179.25 182.42 1y8m h TRP 47 N 0.00 0.49 -0.67 0.00 2.91 -1.10 -2.32 115.95 115.26 1y8m h TRP 47 Ca -0.01 -0.08 -0.03 0.00 1.13 0.00 0.00 58.89 59.90 1y8m h TRP 47 Cb 1.11 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.60 1y8m h TRP 47 CO 0.00 0.58 0.28 0.78 -1.03 0.00 0.00 178.44 179.06 1y8m h GLY 48 N 0.25 1.05 1.52 2.65 0.00 -1.45 -2.06 103.07 105.02 1y8m h GLY 48 Ca 0.08 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1y8m h GLY 48 CO 0.01 0.51 -0.07 1.41 0.00 0.00 0.00 176.54 178.39 1y8m h LEU 49 N 0.96 0.56 -0.93 3.11 3.38 -1.38 -2.29 115.31 118.73 1y8m h LEU 49 Ca 0.23 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1y8m h LEU 49 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1y8m h LEU 49 CO -0.02 0.69 -0.52 0.40 0.09 0.00 0.00 178.44 179.08 1y8m h ILE 50 N 0.55 1.31 0.00 1.22 2.04 -0.83 -2.81 117.51 118.98 1y8m h ILE 50 Ca 0.11 -1.81 -0.08 0.00 1.00 0.00 0.00 64.86 64.08 1y8m h ILE 50 Cb 0.46 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1y8m h ILE 50 CO 0.02 0.51 -0.37 0.50 0.00 0.00 0.00 178.15 178.81 1y8m h LYS 51 N 0.00 0.00 -6.66 2.37 1.63 -0.84 -3.45 116.57 109.61 1y8m h LYS 51 Ca -0.01 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.25 1y8m h LYS 51 Cb 0.95 0.00 0.20 0.00 -0.60 0.00 0.00 32.23 32.78 1y8m h LYS 51 CO 0.07 0.37 -0.58 0.45 -3.45 0.00 0.00 179.45 176.31 1y8m n SER 52 N -3.57 -1.92 0.01 4.20 2.88 -1.06 -4.66 113.62 109.51 1y8m n SER 52 Ca -0.00 0.45 0.12 0.00 -1.33 0.00 0.00 58.87 58.11 1y8m n SER 52 Cb 0.50 -1.18 0.26 0.00 -0.75 0.00 0.00 64.21 63.04 1y8m n SER 52 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1y8m n THR 53 N -2.91 0.07 -3.43 2.46 -2.24 -1.26 -4.87 114.28 102.10 1y8m n THR 53 Ca 0.08 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 1y8m n THR 53 Cb 0.52 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 1y8m n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1y8m s ASP 54 N -3.26 6.66 0.33 3.42 1.01 -1.26 -4.97 116.67 118.60 1y8m s ASP 54 Ca 0.10 0.92 0.25 0.00 0.71 0.00 0.00 52.55 54.54 1y8m s ASP 54 Cb 0.17 -2.23 0.68 0.00 1.01 0.00 0.00 42.92 42.55 1y8m s ASP 54 CO 0.69 -0.00 1.72 1.62 0.21 0.00 0.00 175.17 179.41 1y8m h VAL 55 N 2.27 0.00 -0.57 -1.27 3.04 -1.97 -3.23 116.25 114.52 1y8m h VAL 55 Ca -0.47 -0.67 -0.03 0.00 -1.01 0.00 0.00 66.70 64.51 1y8m h VAL 55 Cb 1.18 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 1y8m h VAL 55 CO 0.68 0.00 0.22 -1.13 -1.01 0.00 0.00 177.57 176.34 1y8m h ASN 56 N 0.00 0.79 0.14 3.17 -0.73 -1.97 -2.24 115.58 114.75 1y8m h ASN 56 Ca 0.00 -0.17 -0.19 0.00 1.87 0.00 0.00 56.30 57.80 1y8m h ASN 56 Cb 0.80 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.18 1y8m h ASN 56 CO 0.00 0.75 -0.73 0.44 -0.37 0.00 0.00 177.43 177.52 1y8m h ASP 57 N 0.78 0.61 -0.91 1.15 5.19 -1.83 -2.89 116.42 118.53 1y8m h ASP 57 Ca 0.19 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1y8m h ASP 57 Cb 0.21 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 1y8m h ASP 57 CO -0.01 1.15 0.52 -0.33 -3.12 0.00 0.00 179.24 177.44 1y8m h GLU 58 N 0.35 1.26 0.00 3.56 3.07 -1.53 0.33 114.58 121.62 1y8m h GLU 58 Ca -0.03 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 1y8m h GLU 58 Cb 1.32 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1y8m h GLU 58 CO 0.13 0.90 -0.30 0.00 -1.40 0.00 0.00 179.01 178.35 1y8m h ARG 59 N 1.27 0.00 0.04 2.33 3.08 -1.38 -1.95 114.38 117.76 1y8m h ARG 59 Ca 0.32 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.31 1y8m h ARG 59 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1y8m h ARG 59 CO -0.05 0.30 -0.28 1.25 -1.07 0.00 0.00 179.97 180.11 1y8m h LEU 60 N 0.00 0.18 -0.92 3.04 5.85 -1.05 -3.02 115.31 119.39 1y8m h LEU 60 Ca -0.00 -0.92 -0.00 0.00 0.84 0.00 0.00 57.88 57.80 1y8m h LEU 60 Cb 0.79 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1y8m h LEU 60 CO 0.04 1.08 0.57 1.23 -0.34 0.00 0.00 178.44 181.02 1y8m h GLY 61 N -0.69 1.32 0.98 3.75 0.00 -0.94 -1.99 103.07 105.51 1y8m h GLY 61 Ca -0.05 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.76 1y8m h GLY 61 CO 0.05 0.52 0.46 -2.08 0.00 0.00 0.00 176.54 175.49 1y8m h VAL 62 N 1.26 1.16 -0.22 4.60 2.07 -1.44 -0.12 116.25 123.56 1y8m h VAL 62 Ca 0.33 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1y8m h VAL 62 Cb -0.08 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1y8m h VAL 62 CO -0.07 0.17 0.14 0.50 0.02 0.00 0.00 177.57 178.33 1y8m h LYS 63 N 0.93 0.30 -0.09 1.57 3.64 -1.26 -0.46 116.57 121.21 1y8m h LYS 63 Ca 0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1y8m h LYS 63 Cb -0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1y8m h LYS 63 CO -0.07 0.24 0.06 0.82 -2.27 0.00 0.00 179.45 178.23 1y8m h ILE 64 N 0.28 1.03 -0.27 2.00 2.04 -0.92 0.22 117.51 121.89 1y8m h ILE 64 Ca 0.08 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1y8m h ILE 64 Cb 0.02 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1y8m h ILE 64 CO -0.02 0.03 0.19 -0.07 0.00 0.00 0.00 178.15 178.29 1y8m h LEU 65 N 0.11 0.03 0.00 1.44 3.38 -0.75 0.99 115.31 120.50 1y8m h LEU 65 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1y8m h LEU 65 Cb -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1y8m h LEU 65 CO -0.01 0.02 -0.82 0.74 0.09 0.00 0.00 178.44 178.46 1y8m h THR 66 N 0.03 0.79 -0.06 0.22 2.02 0.01 -2.50 112.91 113.42 1y8m h THR 66 Ca 0.13 -2.21 -0.14 0.00 0.77 0.00 0.00 66.41 64.96 1y8m h THR 66 Cb 0.48 2.32 0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1y8m h THR 66 CO -0.01 0.45 -0.52 -0.78 0.37 0.00 0.00 175.52 175.03 1y8m h ASP 67 N 0.00 0.57 0.50 4.18 3.58 0.17 -1.92 116.42 123.50 1y8m h ASP 67 Ca -0.05 -0.68 -0.08 0.00 0.42 0.00 0.00 57.03 56.63 1y8m h ASP 67 Cb 1.47 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 1y8m h ASP 67 CO 0.06 1.17 -0.40 0.40 -2.88 0.00 0.00 179.24 177.59 1y8m h ILE 68 N 0.01 1.17 -0.20 2.25 2.04 -1.09 -1.84 117.51 119.85 1y8m h ILE 68 Ca -0.05 -1.41 -0.19 0.00 1.00 0.00 0.00 64.86 64.22 1y8m h ILE 68 Cb 1.19 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1y8m h ILE 68 CO 0.11 0.39 -0.62 0.22 0.00 0.00 0.00 178.15 178.24 1y8m h TYR 69 N 0.00 0.90 0.00 1.37 5.03 -1.37 1.18 116.97 124.08 1y8m h TYR 69 Ca -0.00 -0.35 -0.12 0.00 2.58 0.00 0.00 58.73 60.83 1y8m h TYR 69 Cb 0.75 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 1y8m h TYR 69 CO 0.00 1.14 -0.59 0.87 -1.32 0.00 0.00 178.16 178.25 1y8m h LYS 70 N 0.52 0.00 0.00 1.82 1.57 -1.03 -3.32 116.57 116.13 1y8m h LYS 70 Ca -0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1y8m h LYS 70 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1y8m h LYS 70 CO 0.13 0.59 -2.07 -1.91 -0.57 0.00 0.00 179.45 175.62 1y8m n GLU 71 N -3.61 1.03 -3.01 3.15 2.13 -0.72 -4.75 120.64 114.86 1y8m n GLU 71 Ca -0.00 -0.06 -0.44 0.00 0.66 0.00 0.00 57.16 57.32 1y8m n GLU 71 Cb 0.64 -1.43 -0.00 0.00 0.27 0.00 0.00 31.44 30.92 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y8m s ALA 72 N -2.66 4.10 -0.41 4.31 0.00 0.41 -4.89 121.76 122.61 1y8m s ALA 72 Ca -0.08 -3.42 -0.03 0.00 0.00 0.00 0.00 51.96 48.43 1y8m s ALA 72 Cb 0.07 -4.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 1y8m s ALA 72 CO 0.71 -2.69 1.54 0.39 0.00 0.00 0.00 175.76 175.71 1y8m n GLU 73 N 5.21 1.00 0.00 0.00 -0.58 -1.26 -3.52 120.64 121.48 1y8m n GLU 73 Ca 0.34 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 56.17 1y8m n GLU 73 Cb 0.42 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 1y8m n GLU 73 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1y8m n SER 74 N 4.44 0.00 0.00 1.62 2.88 -1.26 -4.91 113.62 116.39 1y8m n SER 74 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1y8m n SER 74 Cb 0.08 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1y8m n SER 74 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1y8m n ARG 75 N -1.45 0.00 -0.33 -1.46 5.12 -1.23 -2.74 116.66 114.57 1y8m n ARG 75 Ca 0.00 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.08 1y8m n ARG 75 Cb 0.00 -1.45 0.39 0.00 -1.16 0.00 0.00 32.46 30.24 1y8m n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y8m h ARG 76 N 0.00 0.61 -0.42 5.56 3.08 -1.90 -0.54 114.38 120.78 1y8m h ARG 76 Ca 0.00 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.10 1y8m h ARG 76 Cb 0.00 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 29.83 1y8m h ARG 76 CO 0.00 0.40 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.11 1y8m h ARG 77 N 0.63 -0.00 -0.06 0.04 2.43 -1.89 0.75 114.38 116.27 1y8m h ARG 77 Ca 0.58 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.65 1y8m h ARG 77 Cb 1.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1y8m h ARG 77 CO -0.36 -0.00 -0.44 0.93 -1.51 0.00 0.00 179.97 178.59 1y8m h GLU 78 N -0.00 0.14 -0.18 0.20 3.07 -1.41 -3.05 114.58 113.35 1y8m h GLU 78 Ca 0.20 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.86 1y8m h GLU 78 Cb 0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1y8m h GLU 78 CO -0.43 0.56 -0.41 0.00 -1.40 0.00 0.00 179.01 177.33 1y8m h LEU 80 N 0.27 0.17 -0.19 0.00 3.38 0.48 1.11 115.31 120.53 1y8m h LEU 80 Ca -0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1y8m h LEU 80 Cb 1.02 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1y8m h LEU 80 CO 0.09 0.12 -0.08 0.22 0.09 0.00 0.00 178.44 178.88 1y8m h TYR 81 N 0.36 0.44 -0.10 1.13 3.20 -1.52 -2.20 116.97 118.28 1y8m h TYR 81 Ca 0.27 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1y8m h TYR 81 Cb 0.32 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1y8m h TYR 81 CO -0.17 0.67 -0.24 1.88 -1.64 0.00 0.00 178.16 178.66 1y8m h TYR 82 N 0.08 0.20 -0.41 -3.82 -1.99 -0.52 -2.54 116.97 107.96 1y8m h TYR 82 Ca 0.04 -0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.61 1y8m h TYR 82 Cb 0.55 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1y8m h TYR 82 CO 0.06 0.42 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.32 1y8m h LEU 83 N 0.17 0.93 -0.66 3.88 3.38 0.14 0.38 115.31 123.53 1y8m h LEU 83 Ca 0.03 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1y8m h LEU 83 Cb 0.53 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1y8m h LEU 83 CO 0.04 1.15 0.33 0.74 0.09 0.00 0.00 178.44 180.78 1y8m h THR 84 N 0.72 0.88 -0.08 0.22 2.02 -0.99 0.38 112.91 116.07 1y8m h THR 84 Ca 0.09 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1y8m h THR 84 Cb 0.82 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1y8m h THR 84 CO 0.07 0.11 -0.26 0.40 0.37 0.00 0.00 175.52 176.21 1y8m h ILE 85 N 0.58 1.42 -0.69 3.11 2.04 -1.20 -2.02 117.51 120.75 1y8m h ILE 85 Ca 0.31 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1y8m h ILE 85 Cb 0.29 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1y8m h ILE 85 CO -0.24 0.47 0.36 1.23 0.00 0.00 0.00 178.15 179.97 1y8m h GLY 86 N -0.17 1.02 1.72 5.37 0.00 0.29 -2.69 103.07 108.61 1y8m h GLY 86 Ca -0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 47.33 46.63 1y8m h GLY 86 CO 0.05 0.44 -1.05 0.00 0.00 0.00 0.00 176.54 175.98 1y8m h TYR 88 N 0.10 0.72 0.00 0.00 5.03 -1.03 0.42 116.97 122.21 1y8m h TYR 88 Ca -0.08 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 1y8m h TYR 88 Cb 1.74 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 39.82 1y8m h TYR 88 CO 0.04 0.25 -0.01 -0.22 -1.32 0.00 0.00 178.16 176.91 1y8m h LYS 89 N 0.65 0.00 -0.53 1.82 1.63 -1.57 0.33 116.57 118.90 1y8m h LYS 89 Ca 0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1y8m h LYS 89 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1y8m h LYS 89 CO -0.28 0.01 0.00 1.28 -3.45 0.00 0.00 179.45 177.00 1y8m n LEU 90 N -3.44 4.91 -2.19 5.20 4.77 0.14 -4.92 117.00 121.46 1y8m n LEU 90 Ca -0.03 -2.74 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 1y8m n LEU 90 Cb 0.09 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1y8m n LEU 90 CO 0.24 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1y8m n GLY 91 N 0.57 -0.42 1.97 -0.72 0.00 0.12 -4.68 105.19 102.03 1y8m n GLY 91 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.15 1.81 0.22 1.61 1.02 -1.04 -4.66 120.64 117.46 1y8m n GLU 92 Ca 0.00 -1.32 0.03 0.00 -0.02 0.00 0.00 57.16 55.86 1y8m n GLU 92 Cb 0.42 -1.68 0.18 0.00 -0.02 0.00 0.00 31.44 30.33 1y8m n GLU 92 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1y8m h TYR 93 N 2.02 0.00 -0.58 -0.32 0.05 -1.83 0.37 116.97 116.68 1y8m h TYR 93 Ca 0.23 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.93 1y8m h TYR 93 Cb 1.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 1y8m h TYR 93 CO 1.02 0.00 0.04 1.03 -1.05 0.00 0.00 178.16 179.20 1y8m h SER 94 N 0.00 0.95 -0.01 3.88 0.87 -1.97 -0.01 113.55 117.26 1y8m h SER 94 Ca 0.00 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.27 1y8m h SER 94 Cb 1.31 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1y8m h SER 94 CO 0.00 0.99 -0.18 0.24 -0.53 0.00 0.00 176.83 177.35 1y8m h MET 95 N 0.91 0.14 -0.63 2.24 2.86 -0.65 -3.01 114.93 116.78 1y8m h MET 95 Ca 0.17 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1y8m h MET 95 Cb 0.48 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 1y8m h MET 95 CO 0.02 0.86 0.23 0.00 1.06 0.00 0.00 176.91 179.08 1y8m h ALA 96 N 0.28 0.82 -0.11 6.32 0.00 -1.47 -1.97 119.26 123.13 1y8m h ALA 96 Ca -0.02 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1y8m h ALA 96 Cb 0.91 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1y8m h ALA 96 CO 0.04 -0.20 -0.08 -0.22 0.00 0.00 0.00 179.25 178.79 1y8m h LYS 97 N 0.41 -0.08 -0.72 0.00 3.11 -1.03 0.18 116.57 118.44 1y8m h LYS 97 Ca 0.32 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.13 1y8m h LYS 97 Cb 0.42 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 1y8m h LYS 97 CO -0.33 -0.05 0.31 -0.09 -2.81 0.00 0.00 179.45 176.48 1y8m h ARG 98 N -0.09 1.06 0.01 1.90 2.43 -1.28 -1.34 114.38 117.08 1y8m h ARG 98 Ca 0.07 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1y8m h ARG 98 Cb 0.19 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1y8m h ARG 98 CO -0.17 0.86 -0.00 1.88 -1.51 0.00 0.00 179.97 181.03 1y8m h TYR 99 N 1.02 -0.01 -0.68 2.20 0.05 -1.07 -2.86 116.97 115.63 1y8m h TYR 99 Ca 0.24 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.05 1y8m h TYR 99 Cb 0.18 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.88 1y8m h TYR 99 CO 0.01 0.67 0.45 -0.24 -1.05 0.00 0.00 178.16 178.00 1y8m h VAL 100 N -0.70 1.11 0.01 -2.88 3.04 -0.68 -1.52 116.25 114.63 1y8m h VAL 100 Ca -0.00 -0.28 -0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1y8m h VAL 100 Cb 0.68 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1y8m h VAL 100 CO 0.00 0.15 -0.01 -0.78 -1.01 0.00 0.00 177.57 175.93 1y8m h ASP 101 N 0.83 -0.01 -0.27 3.17 3.58 -1.27 0.53 116.42 122.97 1y8m h ASP 101 Ca 0.27 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1y8m h ASP 101 Cb 0.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1y8m h ASP 101 CO -0.07 0.05 0.15 0.74 -2.88 0.00 0.00 179.24 177.22 1y8m h THR 102 N -0.07 1.02 -0.28 2.25 2.02 -1.17 -0.34 112.91 116.33 1y8m h THR 102 Ca -0.00 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1y8m h THR 102 Cb 0.07 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1y8m h THR 102 CO 0.00 0.06 -0.06 0.25 0.37 0.00 0.00 175.52 176.14 1y8m h LEU 103 N 0.32 0.54 -1.45 2.58 5.85 -1.09 -2.92 115.31 119.14 1y8m h LEU 103 Ca 0.11 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1y8m h LEU 103 Cb 0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1y8m h LEU 103 CO -0.06 0.78 0.16 0.15 -0.34 0.00 0.00 178.44 179.13 1y8m h PHE 104 N 0.30 0.52 -0.74 1.25 3.04 0.29 -2.07 116.94 119.53 1y8m h PHE 104 Ca 0.07 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.03 1y8m h PHE 104 Cb 0.54 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 1y8m h PHE 104 CO 0.05 0.40 0.48 0.93 -2.02 0.00 0.00 178.31 178.15 1y8m h GLU 105 N 0.53 0.92 -6.20 1.11 5.08 -0.87 -3.44 114.58 111.71 1y8m h GLU 105 Ca 0.13 -0.06 -0.48 0.00 -1.00 0.00 0.00 59.36 57.96 1y8m h GLU 105 Cb 0.09 -0.21 0.25 0.00 0.50 0.00 0.00 28.75 29.39 1y8m h GLU 105 CO -0.02 0.61 -2.24 1.58 -1.00 0.00 0.00 179.01 177.94 1y8m n HIS 106 N -4.61 -1.39 -0.26 4.33 -0.00 -0.78 -4.99 115.22 107.52 1y8m n HIS 106 Ca 0.08 0.51 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1y8m n HIS 106 Cb 0.05 -1.43 0.00 0.00 -0.12 0.00 0.00 29.99 28.49 1y8m n HIS 106 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1y8m n GLU 107 N 1.14 3.13 -0.47 1.57 -0.58 -1.26 -4.99 120.64 119.17 1y8m n GLU 107 Ca -0.01 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1y8m n GLU 107 Cb 0.72 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.57 1y8m n GLU 107 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1y8m n ARG 108 N 0.00 -0.98 -0.84 3.49 3.00 -1.26 -4.85 116.66 115.23 1y8m n ARG 108 Ca 0.00 0.69 -0.31 0.00 -0.00 0.00 0.00 57.85 58.23 1y8m n ARG 108 Cb 0.00 -1.18 0.15 0.00 0.00 0.00 0.00 32.46 31.43 1y8m n ARG 108 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1y8m s ASN 109 N -4.58 3.14 0.00 6.15 0.01 -1.26 -4.94 114.94 113.46 1y8m s ASN 109 Ca 0.00 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.17 1y8m s ASN 109 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1y8m s ASN 109 CO 0.00 -2.93 0.06 0.59 -1.51 0.00 0.00 177.10 173.30 1y8m n ASN 110 N -4.11 0.00 -0.12 -1.22 3.02 -1.26 -4.89 115.26 106.67 1y8m n ASN 110 Ca 0.10 -1.00 -0.05 0.00 -0.03 0.00 0.00 54.58 53.60 1y8m n ASN 110 Cb 0.53 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 1y8m n ASN 110 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1y8m h LYS 111 N 0.00 -0.08 0.00 3.52 1.57 -1.98 2.61 116.57 122.21 1y8m h LYS 111 Ca 0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1y8m h LYS 111 Cb 0.61 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1y8m h LYS 111 CO 0.00 -0.05 -0.42 0.37 -0.57 0.00 0.00 179.45 178.78 1y8m h GLN 112 N -0.09 0.00 0.01 3.15 5.75 -2.00 -2.82 115.11 119.11 1y8m h GLN 112 Ca 0.20 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1y8m h GLN 112 Cb 0.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1y8m h GLN 112 CO -0.47 0.42 -0.18 0.28 -2.65 0.00 0.00 178.83 176.23 1y8m h VAL 113 N 0.00 1.61 -0.71 2.39 2.07 -1.38 -2.53 116.25 117.70 1y8m h VAL 113 Ca -0.00 -2.04 0.18 0.00 0.82 0.00 0.00 66.70 65.66 1y8m h VAL 113 Cb 1.04 2.95 -0.04 0.00 -1.52 0.00 0.00 31.29 33.71 1y8m h VAL 113 CO 0.05 0.55 0.50 1.23 0.02 0.00 0.00 177.57 179.92 1y8m h GLY 114 N -0.65 0.29 0.68 2.17 0.00 0.45 -0.11 103.07 105.90 1y8m h GLY 114 Ca -0.03 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1y8m h GLY 114 CO 0.04 0.01 -0.46 0.00 0.00 0.00 0.00 176.54 176.13 1y8m h ALA 115 N 1.66 0.07 -0.61 3.60 0.00 -1.47 -2.27 119.26 120.24 1y8m h ALA 115 Ca 0.35 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1y8m h ALA 115 Cb 1.14 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1y8m h ALA 115 CO -0.06 0.26 0.30 1.25 0.00 0.00 0.00 179.25 181.00 1y8m h LEU 116 N -0.22 0.40 -1.42 0.00 5.85 -0.63 0.96 115.31 120.26 1y8m h LEU 116 Ca -0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1y8m h LEU 116 Cb 1.18 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1y8m h LEU 116 CO 0.09 0.26 0.35 0.50 -0.34 0.00 0.00 178.44 179.30 1y8m h LYS 117 N 0.55 0.74 -0.27 1.25 3.64 -1.15 -1.06 116.57 120.27 1y8m h LYS 117 Ca 0.28 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1y8m h LYS 117 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1y8m h LYS 117 CO -0.21 0.51 0.24 0.77 -2.27 0.00 0.00 179.45 178.49 1y8m h SER 118 N 0.76 0.00 0.00 4.20 0.02 -0.18 0.90 113.55 119.25 1y8m h SER 118 Ca 0.20 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 1y8m h SER 118 Cb -0.05 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1y8m h SER 118 CO -0.04 0.00 -0.59 0.24 -1.14 0.00 0.00 176.83 175.30 1y8m h MET 119 N 0.00 0.40 -0.08 3.45 2.86 -1.02 -1.65 114.93 118.88 1y8m h MET 119 Ca 0.13 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1y8m h MET 119 Cb 0.61 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1y8m h MET 119 CO -0.00 1.10 -0.03 0.28 1.06 0.00 0.00 176.91 179.32 1y8m h VAL 120 N -0.13 1.31 -0.04 -2.22 2.07 -0.98 -1.78 116.25 114.49 1y8m h VAL 120 Ca -0.07 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 1y8m h VAL 120 Cb 1.31 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1y8m h VAL 120 CO 0.12 0.28 -0.50 -0.08 0.02 0.00 0.00 177.57 177.41 1y8m h GLU 121 N -0.20 0.11 -0.15 1.57 4.81 0.65 -1.49 114.58 119.87 1y8m h GLU 121 Ca 0.02 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 1y8m h GLU 121 Cb 0.47 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1y8m h GLU 121 CO 0.01 0.59 -0.74 0.22 -0.73 0.00 0.00 179.01 178.36 1y8m h ASP 122 N 0.09 0.83 0.43 1.04 3.58 -1.27 -1.83 116.42 119.29 1y8m h ASP 122 Ca 0.00 -0.53 -0.17 0.00 0.42 0.00 0.00 57.03 56.75 1y8m h ASP 122 Cb 0.92 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1y8m h ASP 122 CO 0.07 1.31 -0.74 0.11 -2.88 0.00 0.00 179.24 177.12 1y8m h LYS 123 N 0.49 0.25 0.00 0.28 1.79 -1.20 -3.04 116.57 115.13 1y8m h LYS 123 Ca -0.04 -0.22 -0.13 0.00 -2.18 0.00 0.00 60.65 58.08 1y8m h LYS 123 Cb 1.35 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 1y8m h LYS 123 CO 0.15 0.88 -0.63 0.82 -1.08 0.00 0.00 179.45 179.59 1y8m h ILE 124 N 0.17 1.18 -0.28 1.86 2.04 -1.26 -2.88 117.51 118.34 1y8m h ILE 124 Ca -0.03 -2.39 -0.02 0.00 1.00 0.00 0.00 64.86 63.43 1y8m h ILE 124 Cb 1.31 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 1y8m h ILE 124 CO 0.12 0.62 0.09 1.56 0.00 0.00 0.00 178.15 180.53 1y8m h GLN 125 N 0.00 0.39 -0.31 2.37 1.08 -1.22 -1.00 115.11 116.42 1y8m h GLN 125 Ca -0.01 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.98 1y8m h GLN 125 Cb 1.34 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1y8m h GLN 125 CO 0.08 0.35 -0.46 0.87 -0.95 0.00 0.00 178.83 178.72 1y8m h LYS 126 N 0.39 0.82 -0.10 1.46 1.79 -1.44 -2.74 116.57 116.75 1y8m h LYS 126 Ca 0.10 -0.47 0.03 0.00 -2.18 0.00 0.00 60.65 58.12 1y8m h LYS 126 Cb 0.12 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1y8m h LYS 126 CO -0.01 1.11 0.08 0.93 -1.08 0.00 0.00 179.45 180.48 1y8m h GLU 127 N 0.65 0.00 0.00 3.15 5.08 -1.08 -3.46 114.58 118.92 1y8m h GLU 127 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1y8m h GLU 127 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1y8m h GLU 127 CO 0.10 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.36 1y8m n THR 128 N -4.27 0.00 -1.68 1.13 -2.24 -0.77 -4.54 114.28 101.91 1y8m n THR 128 Ca -0.01 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 1y8m n THR 128 Cb 0.19 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.46 1y8m n THR 128 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1y8m s LEU 129 N 0.00 3.19 -0.35 3.22 0.05 -1.26 -4.96 118.68 118.57 1y8m s LEU 129 Ca 0.00 1.60 -0.29 0.00 0.05 0.00 0.00 54.13 55.49 1y8m s LEU 129 Cb 0.00 -4.49 0.00 0.00 -2.05 0.00 0.00 46.19 39.65 1y8m s LEU 129 CO 0.00 -1.31 1.35 -0.54 -0.55 0.00 0.00 176.35 175.31 1y8m s LYS 130 N -4.96 3.76 0.00 1.48 3.01 -1.26 -4.87 119.74 116.90 1y8m s LYS 130 Ca 0.58 1.11 0.00 0.00 -1.01 0.00 0.00 55.97 56.65 1y8m s LYS 130 Cb -0.14 -3.95 0.00 0.00 -1.01 0.00 0.00 37.83 32.74 1y8m s LYS 130 CO 0.53 -1.32 0.00 0.41 0.51 0.00 0.00 175.35 175.48 1y8m n GLY 131 N 4.66 0.52 2.53 -3.33 0.00 -1.26 -5.13 105.19 103.18 1y8m n GLY 131 Ca 0.16 0.63 -0.28 0.00 0.00 0.00 0.00 46.02 46.52 1y8m n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y8m s VAL 132 N 0.00 -0.01 0.22 1.61 1.01 -1.26 -5.12 120.40 116.85 1y8m s VAL 132 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1y8m s VAL 132 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 1y8m s VAL 132 CO 0.00 -0.83 1.43 0.54 0.00 0.00 0.00 175.10 176.24 1y8m s VAL 133 N 1.59 2.81 -0.11 2.92 0.11 -1.26 -4.90 120.40 121.55 1y8m s VAL 133 Ca 0.14 0.65 0.16 0.00 -2.93 0.00 0.00 61.98 60.00 1y8m s VAL 133 Cb -0.19 -3.42 -0.16 0.00 -1.53 0.00 0.00 36.38 31.08 1y8m s VAL 133 CO -0.17 0.09 0.74 0.55 -3.33 0.00 0.00 175.10 172.98 1y8m n VAL 134 N 2.76 1.24 -2.98 2.04 3.14 -1.26 -5.03 118.33 118.23 1y8m n VAL 134 Ca 0.08 -0.71 -0.06 0.00 -2.96 0.00 0.00 64.34 60.69 1y8m n VAL 134 Cb 0.41 -0.75 0.01 0.00 -1.06 0.00 0.00 33.84 32.44 1y8m n VAL 134 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y8m n ALA 135 N -2.44 -2.81 -1.00 1.55 0.00 -1.26 -4.98 120.51 109.57 1y8m n ALA 135 Ca -0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1y8m n ALA 135 Cb 0.89 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.62 -1.76 0.00 0.00 0.00 -1.26 -5.04 105.19 97.75 1y8m n GLY 136 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1y8m n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 137 N 1.86 0.20 0.00 -0.02 0.00 -1.26 -5.13 105.19 100.84 1y8m n GLY 137 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1y8m n GLY 137 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y8m n VAL 138 N 4.33 0.00 -1.91 1.61 0.24 -1.26 -5.05 118.33 116.30 1y8m n VAL 138 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1y8m n VAL 138 Cb 0.00 -0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 31.95 1y8m n VAL 138 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1y8m s HIS 139 N 0.50 2.11 -0.36 6.34 2.46 -1.26 -4.89 115.29 120.19 1y8m s HIS 139 Ca 0.00 0.16 -0.28 0.00 0.47 0.00 0.00 55.06 55.41 1y8m s HIS 139 Cb 0.00 -4.00 -0.03 0.00 -0.13 0.00 0.00 32.58 28.42 1y8m s HIS 139 CO 0.00 -4.15 1.93 -1.01 -2.47 0.00 0.00 174.74 169.04 1y8m s HIS 140 N 3.33 1.62 -1.00 3.88 4.02 -1.26 -4.85 115.29 121.02 1y8m s HIS 140 Ca 0.76 0.70 -0.20 0.00 1.02 0.00 0.00 55.06 57.34 1y8m s HIS 140 Cb -0.38 -4.05 -0.09 0.00 -1.02 0.00 0.00 32.58 27.04 1y8m s HIS 140 CO 0.33 -3.02 1.97 1.58 1.02 0.00 0.00 174.74 176.62 1y8m n HIS 141 N 11.29 2.51 -2.15 1.40 -0.00 -1.26 -4.65 115.22 122.36 1y8m n HIS 141 Ca 0.25 -2.05 0.00 0.00 -0.00 0.00 0.00 57.72 55.91 1y8m n HIS 141 Cb 0.48 -2.07 0.00 0.00 -0.00 0.00 0.00 29.99 28.39 1y8m n HIS 141 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1y8m n HIS 142 N 8.32 -4.46 -1.10 1.57 -0.00 -1.26 -4.96 115.22 113.34 1y8m n HIS 142 Ca 0.49 2.67 -0.30 0.00 -0.00 0.00 0.00 57.72 60.59 1y8m n HIS 142 Cb 0.41 -3.42 0.25 0.00 -0.00 0.00 0.00 29.99 27.24 1y8m n HIS 142 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1y8m n HIS 143 N 1.91 -3.91 1.88 4.41 -0.00 -1.26 -5.28 115.22 112.97 1y8m n HIS 143 Ca 0.00 -1.01 0.16 0.00 -0.00 0.00 0.00 57.72 56.87 1y8m n HIS 143 Cb 0.00 -1.15 0.85 0.00 -0.00 0.00 0.00 29.99 29.69 1y8m n HIS 143 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92