#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 -1.04 2.03 -2.24 -1.26 -4.72 114.28 107.06 1y8m n THR 2 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1y8m n THR 2 Cb 0.00 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.41 1y8m n THR 2 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1y8m n LYS 3 N -0.88 -2.36 0.00 -0.78 4.01 -1.26 -5.05 118.16 111.83 1y8m n LYS 3 Ca 0.00 -1.35 0.00 0.00 -0.51 0.00 0.00 58.31 56.45 1y8m n LYS 3 Cb 0.00 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.32 1y8m n LYS 3 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1y8m n VAL 4 N -4.14 0.00 -1.60 -0.18 0.24 -1.26 -4.64 118.33 106.74 1y8m n VAL 4 Ca 0.12 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.02 1y8m n VAL 4 Cb 0.44 -0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 1y8m n VAL 4 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1y8m s ASP 5 N -1.33 4.98 -0.39 -1.34 1.01 -1.26 -4.84 116.67 113.50 1y8m s ASP 5 Ca 0.00 1.48 0.06 0.00 0.71 0.00 0.00 52.55 54.80 1y8m s ASP 5 Cb 0.00 -2.51 0.18 0.00 1.01 0.00 0.00 42.92 41.61 1y8m s ASP 5 CO 0.00 -2.39 0.67 0.12 0.21 0.00 0.00 175.17 173.78 1y8m s PHE 6 N 10.11 -1.60 -0.35 4.23 2.19 -1.26 -5.02 117.98 126.28 1y8m s PHE 6 Ca 0.98 0.28 -0.17 0.00 0.33 0.00 0.00 56.93 58.36 1y8m s PHE 6 Cb -0.25 0.29 0.02 0.00 -1.31 0.00 0.00 43.02 41.78 1y8m s PHE 6 CO 0.31 -1.07 0.41 0.91 1.83 0.00 0.00 175.22 177.60 1y8m n TRP 7 N 4.41 -2.88 -0.03 10.12 7.02 -1.26 -4.94 117.44 129.88 1y8m n TRP 7 Ca 0.10 1.21 -0.03 0.00 -1.02 0.00 0.00 57.50 57.76 1y8m n TRP 7 Cb 0.57 -3.00 0.03 0.00 -2.42 0.00 0.00 31.31 26.50 1y8m n TRP 7 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1y8m n PRO 8 N 0.17 -2.15 -3.57 -0.99 -0.02 -1.26 -5.04 135.00 122.14 1y8m n PRO 8 Ca 0.02 -0.15 -0.22 0.00 -2.02 0.00 0.00 63.50 61.13 1y8m n PRO 8 Cb 0.43 -0.20 -0.01 0.00 -0.02 0.00 0.00 33.50 33.70 1y8m n PRO 8 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1y8m s THR 9 N -1.08 2.33 0.19 3.45 -4.23 -1.26 -5.00 115.64 110.04 1y8m s THR 9 Ca 0.07 -1.33 0.23 0.00 -1.18 0.00 0.00 61.69 59.48 1y8m s THR 9 Cb -0.01 -2.66 0.21 0.00 1.34 0.00 0.00 72.50 71.38 1y8m s THR 9 CO 0.06 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.22 1y8m h LEU 10 N 0.83 0.00 -1.48 4.79 5.85 -1.96 -2.47 115.31 120.87 1y8m h LEU 10 Ca -0.39 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1y8m h LEU 10 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1y8m h LEU 10 CO 0.55 0.26 -0.27 0.50 -0.34 0.00 0.00 178.44 179.14 1y8m h LYS 11 N 0.00 0.00 -0.08 1.25 1.63 -2.01 -1.66 116.57 115.70 1y8m h LYS 11 Ca -0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1y8m h LYS 11 Cb 0.73 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1y8m h LYS 11 CO 0.03 0.27 0.11 0.22 -3.45 0.00 0.00 179.45 176.63 1y8m h ASP 12 N 0.00 0.00 -0.17 4.20 1.82 -1.83 0.02 116.42 120.46 1y8m h ASP 12 Ca -0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1y8m h ASP 12 Cb 0.50 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1y8m h ASP 12 CO 0.03 0.00 -0.06 0.00 -1.61 0.00 0.00 179.24 177.60 1y8m h ALA 13 N 1.86 1.32 0.00 -0.78 0.00 -1.45 -1.12 119.26 119.09 1y8m h ALA 13 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1y8m h ALA 13 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y8m h ALA 13 CO -0.00 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.37 1y8m n TYR 14 N -4.25 0.00 -3.56 0.00 4.02 -0.01 -4.65 117.16 108.72 1y8m n TYR 14 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.49 1y8m n TYR 14 Cb 0.28 -0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.28 2.91 0.00 -0.72 2.12 -0.43 -5.08 118.70 116.22 1y8m s GLU 15 Ca 0.00 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.30 1y8m s GLU 15 Cb 0.00 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1y8m s GLU 15 CO 0.00 -0.69 0.00 -2.30 -0.54 0.00 0.00 175.26 171.73 1y8m n PRO 16 N 5.04 1.44 -3.59 4.30 -0.02 -1.26 -4.78 135.00 136.13 1y8m n PRO 16 Ca -0.12 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.30 1y8m n PRO 16 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.91 1y8m n PRO 16 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1y8m s LEU 17 N 0.00 -0.22 0.29 2.45 0.20 -1.26 -4.92 118.68 115.22 1y8m s LEU 17 Ca 0.00 0.15 -0.10 0.00 0.69 0.00 0.00 54.13 54.87 1y8m s LEU 17 Cb 0.00 1.55 -0.07 0.00 -0.43 0.00 0.00 46.19 47.24 1y8m s LEU 17 CO 0.00 -0.26 0.62 -0.31 -0.29 0.00 0.00 176.35 176.11 1y8m s TYR 18 N -1.68 3.43 0.65 5.38 2.02 -1.26 -4.95 117.35 120.94 1y8m s TYR 18 Ca 0.05 0.91 0.40 0.00 -0.37 0.00 0.00 57.07 58.06 1y8m s TYR 18 Cb -0.01 -2.31 2.23 0.00 -0.40 0.00 0.00 41.96 41.47 1y8m s TYR 18 CO -0.04 0.16 2.31 -1.00 -1.57 0.00 0.00 175.55 175.41 1y8m h PRO 19 N 2.11 0.00 0.08 -1.71 0.13 -2.02 -2.66 132.00 127.93 1y8m h PRO 19 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1y8m h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1y8m h PRO 19 CO 0.67 0.00 -0.04 0.37 -0.23 0.00 0.00 178.00 178.77 1y8m h GLN 20 N 0.00 -0.10 -0.52 0.86 -0.00 -2.00 -2.88 115.11 110.47 1y8m h GLN 20 Ca 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 58.77 1y8m h GLN 20 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.53 1y8m h GLN 20 CO -0.00 0.34 0.36 1.96 0.00 0.00 0.00 178.83 181.49 1y8m h GLN 21 N -0.59 0.20 -0.09 1.69 4.20 -1.87 0.17 115.11 118.82 1y8m h GLN 21 Ca -0.01 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1y8m h GLN 21 Cb 0.49 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1y8m h GLN 21 CO 0.02 0.13 -0.36 1.25 -0.67 0.00 0.00 178.83 179.21 1y8m h LEU 22 N 0.21 0.18 -0.37 1.46 5.85 -1.48 -2.67 115.31 118.49 1y8m h LEU 22 Ca 0.24 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 1y8m h LEU 22 Cb 0.68 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1y8m h LEU 22 CO -0.04 0.53 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.49 1y8m h GLU 23 N 0.16 0.00 0.34 1.25 4.39 -0.46 -2.91 114.58 117.35 1y8m h GLU 23 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1y8m h GLU 23 Cb 0.71 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1y8m h GLU 23 CO 0.05 0.77 -0.19 0.82 -1.16 0.00 0.00 179.01 179.30 1y8m h ILE 24 N 0.00 0.60 0.00 3.13 2.04 -1.07 0.63 117.51 122.84 1y8m h ILE 24 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1y8m h ILE 24 Cb 1.41 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1y8m h ILE 24 CO 0.10 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.15 1y8m h LEU 25 N -0.50 0.00 -0.07 1.44 3.38 -1.58 -1.42 115.31 116.57 1y8m h LEU 25 Ca -0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 1y8m h LEU 25 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1y8m h LEU 25 CO 0.05 0.03 -1.05 -0.09 0.09 0.00 0.00 178.44 177.47 1y8m h ARG 26 N 0.00 0.25 -0.41 1.13 2.43 -1.05 -2.52 114.38 114.22 1y8m h ARG 26 Ca -0.00 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1y8m h ARG 26 Cb 0.05 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1y8m h ARG 26 CO 0.00 1.10 0.20 0.37 -1.51 0.00 0.00 179.97 180.13 1y8m h GLN 27 N 0.11 0.58 -0.10 0.20 4.15 0.13 0.27 115.11 120.46 1y8m h GLN 27 Ca -0.08 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 1y8m h GLN 27 Cb 1.73 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.31 1y8m h GLN 27 CO 0.17 0.50 -0.48 0.37 -1.93 0.00 0.00 178.83 177.47 1y8m h GLN 28 N 0.52 0.25 0.02 1.69 4.15 -1.49 0.32 115.11 120.57 1y8m h GLN 28 Ca 0.14 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1y8m h GLN 28 Cb 0.11 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1y8m h GLN 28 CO -0.02 0.68 -0.01 0.28 -1.93 0.00 0.00 178.83 177.83 1y8m h VAL 29 N 0.20 1.40 -0.31 2.39 2.07 -1.00 -3.08 116.25 117.92 1y8m h VAL 29 Ca 0.01 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1y8m h VAL 29 Cb 0.92 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1y8m h VAL 29 CO 0.07 0.35 -0.07 0.58 0.02 0.00 0.00 177.57 178.52 1y8m h VAL 30 N -0.64 1.28 -0.95 2.57 2.07 -0.45 0.97 116.25 121.10 1y8m h VAL 30 Ca -0.00 -1.11 0.26 0.00 0.82 0.00 0.00 66.70 66.67 1y8m h VAL 30 Cb 0.60 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1y8m h VAL 30 CO 0.01 0.36 0.66 -1.28 0.02 0.00 0.00 177.57 177.33 1y8m h SER 31 N 0.37 0.15 0.92 0.57 0.87 -0.43 1.39 113.55 117.40 1y8m h SER 31 Ca 0.08 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1y8m h SER 31 Cb 0.56 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1y8m h SER 31 CO 0.03 0.05 -0.15 -0.62 -0.53 0.00 0.00 176.83 175.61 1y8m n GLU 32 N -4.36 0.04 0.00 2.24 -0.58 -1.05 -4.87 120.64 112.07 1y8m n GLU 32 Ca 0.20 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1y8m n GLU 32 Cb 0.93 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 1.47 1.40 0.38 0.62 0.00 0.48 -4.50 105.19 105.04 1y8m n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.95 0.35 -0.02 0.00 0.31 -4.41 105.19 102.37 1y8m n GLY 34 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 0.60 -0.01 1.61 0.10 -1.94 0.64 132.00 133.00 1y8m h PRO 35 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.00 66.06 1y8m h PRO 35 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 31.00 30.96 1y8m h PRO 35 CO 0.00 0.40 0.00 0.25 0.10 0.00 0.00 178.00 178.75 1y8m n THR 36 N -4.48 0.00 -1.76 -1.15 -2.24 -1.26 -4.80 114.28 98.59 1y8m n THR 36 Ca 0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.56 1y8m n THR 36 Cb 0.25 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.98 2.86 1.11 6.98 0.00 0.22 -4.83 121.76 126.10 1y8m s ALA 37 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 1y8m s ALA 37 Cb 0.00 -3.14 0.21 0.00 0.00 0.00 0.00 23.12 20.19 1y8m s ALA 37 CO 0.00 -0.94 0.79 0.25 0.00 0.00 0.00 175.76 175.86 1y8m n THR 38 N -2.82 0.00 -0.08 0.00 -2.24 -1.26 -4.83 114.28 103.05 1y8m n THR 38 Ca 0.07 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 1y8m n THR 38 Cb 0.54 -0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.35 1.30 -0.12 2.28 2.04 -1.95 -2.85 117.51 115.85 1y8m h ILE 39 Ca -0.56 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 63.72 1y8m h ILE 39 Cb 1.32 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1y8m h ILE 39 CO 0.44 0.52 0.11 1.56 0.00 0.00 0.00 178.15 180.78 1y8m h GLN 40 N 0.52 0.00 -0.06 2.37 4.20 -1.98 0.27 115.11 120.42 1y8m h GLN 40 Ca 0.02 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1y8m h GLN 40 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1y8m h GLN 40 CO 0.10 0.00 -0.18 0.66 -0.67 0.00 0.00 178.83 178.74 1y8m h SER 41 N 0.00 0.27 -0.11 1.46 4.64 -1.85 -2.70 113.55 115.26 1y8m h SER 41 Ca 0.06 -0.60 -0.17 0.00 -0.47 0.00 0.00 61.79 60.61 1y8m h SER 41 Cb 0.28 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1y8m h SER 41 CO -0.00 0.82 -0.55 0.03 -0.87 0.00 0.00 176.83 176.26 1y8m h ARG 42 N -0.27 0.70 -0.43 4.77 3.08 -1.27 -2.62 114.38 118.34 1y8m h ARG 42 Ca -0.00 -0.45 0.06 0.00 0.07 0.00 0.00 59.98 59.66 1y8m h ARG 42 Cb 0.79 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 1y8m h ARG 42 CO 0.04 1.07 0.12 0.35 -1.07 0.00 0.00 179.97 180.47 1y8m h PHE 43 N 0.54 0.21 -0.21 3.04 3.57 -0.53 -1.52 116.94 122.04 1y8m h PHE 43 Ca 0.01 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1y8m h PHE 43 Cb 1.13 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1y8m h PHE 43 CO 0.06 0.05 -0.36 -0.97 -2.23 0.00 0.00 178.31 174.86 1y8m h ASN 44 N 0.27 0.47 -0.53 0.41 -0.73 -1.45 -2.70 115.58 111.32 1y8m h ASN 44 Ca 0.20 -0.19 0.03 0.00 1.87 0.00 0.00 56.30 58.21 1y8m h ASN 44 Cb 0.22 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 1y8m h ASN 44 CO -0.24 0.80 0.35 0.22 -0.37 0.00 0.00 177.43 178.19 1y8m h TYR 45 N 0.39 0.61 0.00 0.67 3.20 -0.91 -0.56 116.97 120.37 1y8m h TYR 45 Ca 0.04 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 1y8m h TYR 45 Cb 0.81 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1y8m h TYR 45 CO 0.03 0.36 -0.66 0.00 -1.64 0.00 0.00 178.16 176.25 1y8m h ALA 46 N 1.69 0.83 -0.12 1.82 0.00 -1.06 -3.00 119.26 119.43 1y8m h ALA 46 Ca 0.21 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1y8m h ALA 46 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1y8m h ALA 46 CO -0.05 0.82 0.04 2.35 0.00 0.00 0.00 179.25 182.41 1y8m h TRP 47 N 0.00 0.18 -0.35 0.00 2.91 -0.90 -2.14 115.95 115.65 1y8m h TRP 47 Ca -0.01 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 1y8m h TRP 47 Cb 1.22 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.80 1y8m h TRP 47 CO 0.00 0.28 -0.04 0.78 -1.03 0.00 0.00 178.44 178.43 1y8m h GLY 48 N 0.03 0.62 1.90 2.65 0.00 -1.50 -2.17 103.07 104.59 1y8m h GLY 48 Ca 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1y8m h GLY 48 CO -0.00 0.36 -0.22 1.41 0.00 0.00 0.00 176.54 178.09 1y8m h LEU 49 N 0.54 0.12 -0.19 3.11 3.38 -1.35 -2.42 115.31 118.50 1y8m h LEU 49 Ca 0.11 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1y8m h LEU 49 Cb 0.41 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1y8m h LEU 49 CO 0.02 0.35 -0.74 0.40 0.09 0.00 0.00 178.44 178.55 1y8m h ILE 50 N 0.12 1.35 0.00 1.22 2.04 -0.76 -3.08 117.51 118.39 1y8m h ILE 50 Ca 0.02 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.16 1y8m h ILE 50 Cb 0.46 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1y8m h ILE 50 CO 0.03 0.73 0.00 0.29 0.00 0.00 0.00 178.15 179.20 1y8m n LYS 51 N -3.39 0.22 -1.00 2.37 5.02 -0.92 -4.79 118.16 115.67 1y8m n LYS 51 Ca 0.00 0.38 -0.32 0.00 -2.02 0.00 0.00 58.31 56.36 1y8m n LYS 51 Cb 0.80 -1.88 0.13 0.00 -0.02 0.00 0.00 35.03 34.07 1y8m n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1y8m s SER 52 N -4.38 3.50 0.07 4.39 0.01 -1.15 -4.27 113.70 111.88 1y8m s SER 52 Ca 0.06 2.22 0.12 0.00 1.31 0.00 0.00 55.95 59.66 1y8m s SER 52 Cb 0.10 -2.57 -0.16 0.00 0.21 0.00 0.00 66.02 63.59 1y8m s SER 52 CO 0.45 -2.72 1.00 0.71 0.41 0.00 0.00 173.24 173.08 1y8m h THR 53 N -1.25 1.05 -4.03 1.44 1.35 -1.89 -3.46 112.91 106.11 1y8m h THR 53 Ca -0.45 -2.72 -0.46 0.00 -0.55 0.00 0.00 66.41 62.23 1y8m h THR 53 Cb 1.28 2.48 0.01 0.00 -1.73 0.00 0.00 68.15 70.18 1y8m h THR 53 CO 0.45 0.60 0.37 -0.62 -0.25 0.00 0.00 175.52 176.07 1y8m s ASP 54 N -6.27 6.71 0.20 5.36 -1.08 -1.26 -4.94 116.67 115.39 1y8m s ASP 54 Ca -0.01 1.87 0.26 0.00 -0.52 0.00 0.00 52.55 54.15 1y8m s ASP 54 Cb 0.09 -2.56 0.80 0.00 -1.46 0.00 0.00 42.92 39.78 1y8m s ASP 54 CO 0.81 -0.52 1.76 0.55 0.52 0.00 0.00 175.17 178.28 1y8m n VAL 55 N -0.53 0.56 -0.04 1.11 3.14 -1.26 -3.62 118.33 117.69 1y8m n VAL 55 Ca 0.07 -0.27 -0.10 0.00 -2.96 0.00 0.00 64.34 61.08 1y8m n VAL 55 Cb 0.52 -0.55 -0.03 0.00 -1.06 0.00 0.00 33.84 32.71 1y8m n VAL 55 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1y8m h ASN 56 N 0.00 0.22 0.32 6.55 -0.73 -1.96 -1.54 115.58 118.44 1y8m h ASN 56 Ca 0.00 -0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.03 1y8m h ASN 56 Cb 0.73 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 1y8m h ASN 56 CO 0.00 0.16 -0.57 0.44 -0.37 0.00 0.00 177.43 177.09 1y8m h ASP 57 N 0.26 0.29 -0.85 1.15 5.19 -1.82 -2.90 116.42 117.73 1y8m h ASP 57 Ca 0.07 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1y8m h ASP 57 Cb -0.02 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 1y8m h ASP 57 CO -0.02 0.80 0.44 -0.33 -3.12 0.00 0.00 179.24 177.00 1y8m h GLU 58 N 0.19 1.20 0.00 3.56 5.08 -1.49 -0.43 114.58 122.70 1y8m h GLU 58 Ca -0.00 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1y8m h GLU 58 Cb 1.06 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1y8m h GLU 58 CO 0.09 0.90 -0.26 0.00 -1.00 0.00 0.00 179.01 178.74 1y8m h ARG 59 N 1.19 0.00 0.05 2.33 3.08 -1.21 -2.56 114.38 117.27 1y8m h ARG 59 Ca 0.30 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.17 1y8m h ARG 59 Cb 0.07 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.14 1y8m h ARG 59 CO -0.04 0.26 -0.73 1.25 -1.07 0.00 0.00 179.97 179.64 1y8m h LEU 60 N 0.00 0.56 -1.22 3.04 5.85 -1.09 -3.02 115.31 119.42 1y8m h LEU 60 Ca -0.00 -0.82 -0.01 0.00 0.84 0.00 0.00 57.88 57.89 1y8m h LEU 60 Cb 0.76 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1y8m h LEU 60 CO 0.03 1.32 0.39 1.23 -0.34 0.00 0.00 178.44 181.07 1y8m h GLY 61 N -0.13 0.99 0.97 3.75 0.00 -1.00 -2.05 103.07 105.59 1y8m h GLY 61 Ca -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1y8m h GLY 61 CO 0.14 0.40 0.15 -2.08 0.00 0.00 0.00 176.54 175.16 1y8m h VAL 62 N 0.94 1.23 -0.73 4.60 2.07 -1.50 -0.72 116.25 122.14 1y8m h VAL 62 Ca 0.24 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1y8m h VAL 62 Cb -0.01 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1y8m h VAL 62 CO -0.04 0.28 0.43 0.50 0.02 0.00 0.00 177.57 178.75 1y8m h LYS 63 N 0.65 1.00 -0.08 1.57 3.64 -1.28 -0.22 116.57 121.85 1y8m h LYS 63 Ca 0.16 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1y8m h LYS 63 Cb 0.27 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1y8m h LYS 63 CO -0.01 0.72 0.01 0.82 -2.27 0.00 0.00 179.45 178.72 1y8m h ILE 64 N 1.00 1.23 -0.03 2.00 2.04 -1.12 -0.41 117.51 122.22 1y8m h ILE 64 Ca 0.26 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1y8m h ILE 64 Cb -0.01 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1y8m h ILE 64 CO -0.05 0.20 0.03 -0.07 0.00 0.00 0.00 178.15 178.26 1y8m h LEU 65 N -0.12 0.00 0.00 1.44 3.38 -0.85 0.63 115.31 119.79 1y8m h LEU 65 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1y8m h LEU 65 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1y8m h LEU 65 CO 0.00 0.00 -0.82 0.74 0.09 0.00 0.00 178.44 178.45 1y8m h THR 66 N 0.00 0.88 0.02 0.22 2.02 -0.57 -2.15 112.91 113.32 1y8m h THR 66 Ca 0.02 -2.32 -0.11 0.00 0.77 0.00 0.00 66.41 64.76 1y8m h THR 66 Cb 0.07 2.38 0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1y8m h THR 66 CO -0.00 0.50 -0.46 0.44 0.37 0.00 0.00 175.52 176.37 1y8m h ASP 67 N 0.00 0.37 0.34 4.18 3.32 0.69 -2.99 116.42 122.33 1y8m h ASP 67 Ca -0.05 -0.80 -0.05 0.00 0.02 0.00 0.00 57.03 56.15 1y8m h ASP 67 Cb 1.50 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1y8m h ASP 67 CO 0.07 1.13 -0.24 0.40 -1.72 0.00 0.00 179.24 178.88 1y8m h ILE 68 N -0.34 0.98 0.07 0.35 2.04 -1.05 -1.61 117.51 117.94 1y8m h ILE 68 Ca -0.06 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1y8m h ILE 68 Cb 1.22 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1y8m h ILE 68 CO 0.09 0.23 -0.03 0.22 0.00 0.00 0.00 178.15 178.66 1y8m h TYR 69 N 0.00 -0.08 0.00 1.37 5.03 -1.34 1.43 116.97 123.38 1y8m h TYR 69 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1y8m h TYR 69 Cb 0.47 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1y8m h TYR 69 CO 0.00 0.12 0.00 0.87 -1.32 0.00 0.00 178.16 177.83 1y8m h LYS 70 N -0.28 0.00 0.00 1.82 1.57 -1.36 -3.28 116.57 115.04 1y8m h LYS 70 Ca -0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.40 1y8m h LYS 70 Cb 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1y8m h LYS 70 CO 0.01 0.00 -2.38 -1.91 -0.57 0.00 0.00 179.45 174.61 1y8m n GLU 71 N -3.02 0.68 -3.62 3.15 0.00 -0.63 -4.74 120.64 112.46 1y8m n GLU 71 Ca 0.02 0.07 -0.38 0.00 0.00 0.00 0.00 57.16 56.87 1y8m n GLU 71 Cb 0.40 -1.54 -0.07 0.00 0.00 0.00 0.00 31.44 30.23 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1y8m s ALA 72 N -2.51 4.04 0.00 4.31 0.00 0.49 -5.01 121.76 123.08 1y8m s ALA 72 Ca -0.19 -3.61 0.00 0.00 0.00 0.00 0.00 51.96 48.16 1y8m s ALA 72 Cb 0.07 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1y8m s ALA 72 CO 0.75 -2.15 0.00 0.39 0.00 0.00 0.00 175.76 174.75 1y8m n GLU 73 N 2.86 0.00 0.00 0.00 1.02 -1.26 -2.93 120.64 120.34 1y8m n GLU 73 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1y8m n GLU 73 Cb 0.38 -0.17 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 1y8m n GLU 73 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1y8m n SER 74 N 0.00 0.00 -0.40 1.62 7.64 -1.26 0.32 113.62 121.54 1y8m n SER 74 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1y8m n SER 74 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1y8m n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1y8m n ARG 75 N -3.59 0.39 -0.01 1.43 5.12 -1.15 -3.21 116.66 115.64 1y8m n ARG 75 Ca 0.00 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1y8m n ARG 75 Cb 0.00 -1.15 -0.06 0.00 -1.16 0.00 0.00 32.46 30.09 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 0.49 0.75 -0.18 5.56 3.08 0.51 -2.22 114.38 122.37 1y8m h ARG 76 Ca 0.00 -0.61 0.05 0.00 0.07 0.00 0.00 59.98 59.49 1y8m h ARG 76 Cb 0.15 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1y8m h ARG 76 CO 0.00 1.22 -0.15 0.00 -1.07 0.00 0.00 179.97 179.97 1y8m h ARG 77 N 0.51 -0.16 -0.28 0.04 -0.00 -1.79 0.79 114.38 113.49 1y8m h ARG 77 Ca -0.05 0.01 -0.10 0.00 -0.50 0.00 0.00 59.98 59.34 1y8m h ARG 77 Cb 1.39 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.39 1y8m h ARG 77 CO 0.16 -0.11 -0.24 0.93 0.00 0.00 0.00 179.97 180.71 1y8m h GLU 78 N -0.16 0.53 -0.36 0.04 5.08 -1.83 -2.98 114.58 114.89 1y8m h GLU 78 Ca 0.11 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1y8m h GLU 78 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1y8m h GLU 78 CO -0.28 0.74 -0.31 0.00 -1.00 0.00 0.00 179.01 178.16 1y8m h LEU 80 N 0.65 1.04 -0.17 0.00 3.38 0.67 0.29 115.31 121.17 1y8m h LEU 80 Ca 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1y8m h LEU 80 Cb 0.89 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1y8m h LEU 80 CO 0.08 0.70 -0.06 0.22 0.09 0.00 0.00 178.44 179.47 1y8m h TYR 81 N 1.20 0.39 -0.24 1.13 3.20 -1.40 -2.48 116.97 118.77 1y8m h TYR 81 Ca 0.40 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 62.10 1y8m h TYR 81 Cb 0.06 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1y8m h TYR 81 CO -0.00 0.63 -0.16 1.88 -1.64 0.00 0.00 178.16 178.87 1y8m h TYR 82 N 0.04 0.45 -0.38 -3.82 -1.99 -0.74 -2.44 116.97 108.09 1y8m h TYR 82 Ca 0.04 -0.07 -0.12 0.00 2.00 0.00 0.00 58.73 60.58 1y8m h TYR 82 Cb 0.51 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1y8m h TYR 82 CO 0.06 0.56 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.46 1y8m h LEU 83 N 0.38 0.79 -0.57 3.88 3.38 -0.35 0.51 115.31 123.33 1y8m h LEU 83 Ca 0.07 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1y8m h LEU 83 Cb 0.51 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1y8m h LEU 83 CO 0.03 1.00 0.28 0.74 0.09 0.00 0.00 178.44 180.59 1y8m h THR 84 N 0.67 1.20 -0.02 0.22 2.02 -1.07 0.50 112.91 116.43 1y8m h THR 84 Ca 0.09 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1y8m h THR 84 Cb 0.76 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1y8m h THR 84 CO 0.06 0.23 -0.07 0.40 0.37 0.00 0.00 175.52 176.51 1y8m h ILE 85 N 0.78 1.47 -0.48 3.11 2.04 -1.13 -0.10 117.51 123.21 1y8m h ILE 85 Ca 0.20 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1y8m h ILE 85 Cb 0.10 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1y8m h ILE 85 CO -0.03 0.40 0.25 1.23 0.00 0.00 0.00 178.15 180.00 1y8m h GLY 86 N -0.50 0.71 1.31 5.37 0.00 0.14 -2.38 103.07 107.72 1y8m h GLY 86 Ca -0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 47.33 46.75 1y8m h GLY 86 CO 0.01 0.30 -1.07 0.00 0.00 0.00 0.00 176.54 175.78 1y8m h TYR 88 N 0.33 0.32 0.00 0.00 3.20 -0.53 0.15 116.97 120.44 1y8m h TYR 88 Ca -0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 1y8m h TYR 88 Cb 1.73 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 1y8m h TYR 88 CO 0.09 0.17 -0.18 0.87 -1.64 0.00 0.00 178.16 177.48 1y8m h LYS 89 N 0.32 0.00 -0.53 1.82 1.79 -1.41 -1.59 116.57 116.96 1y8m h LYS 89 Ca 0.19 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 1y8m h LYS 89 Cb 0.37 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 1y8m h LYS 89 CO -0.04 0.18 0.07 1.28 -1.08 0.00 0.00 179.45 179.86 1y8m n LEU 90 N -3.52 5.32 -2.59 2.94 4.77 0.47 -4.92 117.00 119.47 1y8m n LEU 90 Ca -0.01 -3.07 -0.06 0.00 -0.03 0.00 0.00 56.01 52.84 1y8m n LEU 90 Cb 0.33 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1y8m n LEU 90 CO 0.32 0.72 -0.02 0.61 -1.33 0.00 0.00 177.39 177.68 1y8m n GLY 91 N 0.05 -0.44 2.23 -0.72 0.00 -0.60 -4.72 105.19 100.99 1y8m n GLY 91 Ca 0.30 0.01 -0.21 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 -2.47 2.14 0.26 1.61 4.71 -0.92 -4.70 120.64 121.27 1y8m n GLU 92 Ca 0.02 -1.85 0.06 0.00 -0.01 0.00 0.00 57.16 55.38 1y8m n GLU 92 Cb 0.44 -1.95 0.34 0.00 -1.01 0.00 0.00 31.44 29.27 1y8m n GLU 92 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1y8m h TYR 93 N 2.55 0.00 -0.46 -0.32 0.05 -1.84 0.99 116.97 117.94 1y8m h TYR 93 Ca 0.32 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.04 1y8m h TYR 93 Cb 0.91 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 1y8m h TYR 93 CO 1.31 0.00 0.06 0.66 -1.05 0.00 0.00 178.16 179.14 1y8m h SER 94 N 0.00 0.74 -0.05 3.88 4.64 -1.97 0.26 113.55 121.05 1y8m h SER 94 Ca 0.00 -0.27 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1y8m h SER 94 Cb 1.14 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1y8m h SER 94 CO 0.00 0.82 -0.41 0.24 -0.87 0.00 0.00 176.83 176.61 1y8m h MET 95 N 0.63 0.37 -0.76 4.77 2.86 -1.21 -3.05 114.93 118.54 1y8m h MET 95 Ca 0.14 -0.33 0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1y8m h MET 95 Cb 0.41 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 1y8m h MET 95 CO 0.01 0.99 0.42 0.00 1.06 0.00 0.00 176.91 179.39 1y8m h ALA 96 N 0.39 1.06 0.11 6.32 0.00 -1.43 -2.14 119.26 123.56 1y8m h ALA 96 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1y8m h ALA 96 Cb 1.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1y8m h ALA 96 CO 0.08 0.06 -0.19 -0.22 0.00 0.00 0.00 179.25 178.98 1y8m h LYS 97 N 0.73 -0.36 -0.86 0.00 3.64 -0.93 0.29 116.57 119.08 1y8m h LYS 97 Ca 0.36 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1y8m h LYS 97 Cb 0.31 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1y8m h LYS 97 CO -0.23 -0.24 0.48 0.00 -2.27 0.00 0.00 179.45 177.19 1y8m h ARG 98 N -0.37 1.19 -0.04 1.90 3.08 -1.35 0.86 114.38 119.65 1y8m h ARG 98 Ca 0.03 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1y8m h ARG 98 Cb 0.39 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1y8m h ARG 98 CO -0.11 0.86 -0.22 1.88 -1.07 0.00 0.00 179.97 181.31 1y8m h TYR 99 N 1.20 0.29 -0.60 3.04 0.05 -1.08 -2.82 116.97 117.04 1y8m h TYR 99 Ca 0.30 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 1y8m h TYR 99 Cb 0.00 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1y8m h TYR 99 CO 0.01 0.86 0.16 -0.24 -1.05 0.00 0.00 178.16 177.90 1y8m h VAL 100 N -0.37 1.24 -0.07 -2.88 3.04 -0.32 -1.80 116.25 115.09 1y8m h VAL 100 Ca -0.02 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1y8m h VAL 100 Cb 0.89 0.61 -0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1y8m h VAL 100 CO 0.04 0.32 0.04 0.44 -1.01 0.00 0.00 177.57 177.41 1y8m h ASP 101 N 0.89 0.08 -0.67 3.17 5.19 -0.86 0.87 116.42 125.08 1y8m h ASP 101 Ca 0.19 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1y8m h ASP 101 Cb 0.30 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 1y8m h ASP 101 CO -0.00 0.08 0.38 0.74 -3.12 0.00 0.00 179.24 177.31 1y8m h THR 102 N 0.08 1.20 -0.31 0.35 2.02 -1.31 -2.52 112.91 112.41 1y8m h THR 102 Ca 0.03 -0.49 -0.15 0.00 0.77 0.00 0.00 66.41 66.57 1y8m h THR 102 Cb 0.01 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1y8m h THR 102 CO -0.01 0.22 -0.41 0.25 0.37 0.00 0.00 175.52 175.94 1y8m h LEU 103 N 0.91 0.82 -1.26 2.58 5.85 -0.91 -3.05 115.31 120.25 1y8m h LEU 103 Ca 0.24 -0.38 0.20 0.00 0.84 0.00 0.00 57.88 58.77 1y8m h LEU 103 Cb 0.01 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.73 1y8m h LEU 103 CO -0.04 1.12 0.61 0.15 -0.34 0.00 0.00 178.44 179.94 1y8m h PHE 104 N 0.62 0.80 -1.00 1.25 3.57 0.12 0.19 116.94 122.50 1y8m h PHE 104 Ca 0.05 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.77 1y8m h PHE 104 Cb 0.96 -0.24 -0.10 0.00 2.79 0.00 0.00 35.95 39.36 1y8m h PHE 104 CO 0.05 0.20 0.61 0.93 -2.23 0.00 0.00 178.31 177.88 1y8m h GLU 105 N 0.59 0.72 -2.26 1.11 5.08 -1.43 -1.64 114.58 116.75 1y8m h GLU 105 Ca 0.52 -0.04 -0.76 0.00 -1.00 0.00 0.00 59.36 58.08 1y8m h GLU 105 Cb 1.03 -0.16 -0.30 0.00 0.50 0.00 0.00 28.75 29.81 1y8m h GLU 105 CO -0.27 0.47 0.66 1.58 -1.00 0.00 0.00 179.01 180.45 1y8m n HIS 106 N -4.75 3.06 0.44 4.33 -0.00 0.67 -4.66 115.22 114.32 1y8m n HIS 106 Ca 0.23 -2.88 0.12 0.00 0.46 0.00 0.00 57.72 55.64 1y8m n HIS 106 Cb 0.59 -1.04 0.06 0.00 -0.12 0.00 0.00 29.99 29.48 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 -0.09 0.38 0.00 1.57 2.13 -0.62 -4.95 120.64 119.06 1y8m n GLU 107 Ca 0.43 0.05 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1y8m n GLU 107 Cb 0.29 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.32 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 -2.19 0.00 -2.70 5.31 0.63 -1.26 -1.83 116.66 114.62 1y8m n ARG 108 Ca 0.02 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.93 1y8m n ARG 108 Cb 0.47 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.50 1y8m n ARG 108 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1y8m n ASN 109 N 3.57 -0.97 -4.36 6.15 2.04 -1.26 -5.06 115.26 115.36 1y8m n ASN 109 Ca 0.00 -2.19 -0.46 0.00 -0.44 0.00 0.00 54.58 51.49 1y8m n ASN 109 Cb 0.00 0.50 -0.03 0.00 -2.53 0.00 0.00 39.78 37.72 1y8m n ASN 109 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1y8m s ASN 110 N -1.58 6.53 0.14 0.53 0.01 -0.76 -4.89 114.94 114.92 1y8m s ASN 110 Ca 0.12 -2.15 0.04 0.00 -0.71 0.00 0.00 52.86 50.17 1y8m s ASN 110 Cb 0.43 -2.27 0.24 0.00 0.41 0.00 0.00 41.25 40.06 1y8m s ASN 110 CO -0.11 -0.84 0.93 0.29 -1.51 0.00 0.00 177.10 175.85 1y8m n LYS 111 N 5.24 0.03 0.09 -0.60 5.02 -1.26 -0.28 118.16 126.40 1y8m n LYS 111 Ca 0.07 0.37 -0.07 0.00 -2.02 0.00 0.00 58.31 56.66 1y8m n LYS 111 Cb 0.45 -1.93 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1y8m n LYS 111 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1y8m h GLN 112 N 0.00 0.14 -0.01 1.97 4.20 -1.98 -1.38 115.11 118.06 1y8m h GLN 112 Ca 0.00 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1y8m h GLN 112 Cb 0.65 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1y8m h GLN 112 CO 0.00 0.87 -0.14 0.28 -0.67 0.00 0.00 178.83 179.17 1y8m h VAL 113 N 0.08 1.54 -0.73 -0.54 2.07 -1.04 0.43 116.25 118.07 1y8m h VAL 113 Ca -0.03 -1.79 0.01 0.00 0.82 0.00 0.00 66.70 65.71 1y8m h VAL 113 Cb 1.40 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 33.81 1y8m h VAL 113 CO 0.12 0.48 0.47 1.23 0.02 0.00 0.00 177.57 179.89 1y8m h GLY 114 N -0.55 1.03 0.73 2.17 0.00 -1.59 0.10 103.07 104.95 1y8m h GLY 114 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 1y8m h GLY 114 CO 0.03 0.38 -0.61 0.00 0.00 0.00 0.00 176.54 176.34 1y8m h ALA 115 N 1.54 0.03 -0.42 3.60 0.00 -1.23 -2.73 119.26 120.06 1y8m h ALA 115 Ca 0.26 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1y8m h ALA 115 Cb -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1y8m h ALA 115 CO -0.06 0.33 0.21 1.25 0.00 0.00 0.00 179.25 180.99 1y8m h LEU 116 N -0.21 0.31 -1.99 0.00 5.85 0.23 -0.01 115.31 119.50 1y8m h LEU 116 Ca -0.08 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1y8m h LEU 116 Cb 1.36 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1y8m h LEU 116 CO 0.12 0.23 0.07 0.50 -0.34 0.00 0.00 178.44 179.02 1y8m h LYS 117 N 0.43 0.02 0.00 1.25 3.64 -0.85 -0.65 116.57 120.41 1y8m h LYS 117 Ca 0.18 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1y8m h LYS 117 Cb 0.08 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1y8m h LYS 117 CO -0.12 0.01 -0.17 0.77 -2.27 0.00 0.00 179.45 177.67 1y8m h SER 118 N 0.02 0.00 -0.09 4.20 0.02 -0.66 0.19 113.55 117.23 1y8m h SER 118 Ca 0.05 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.80 1y8m h SER 118 Cb 0.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1y8m h SER 118 CO -0.00 0.17 -0.72 0.24 -1.14 0.00 0.00 176.83 175.38 1y8m h MET 119 N 0.00 0.64 -0.14 3.45 2.86 -0.96 -0.06 114.93 120.71 1y8m h MET 119 Ca -0.00 -0.57 -0.03 0.00 -2.06 0.00 0.00 59.70 57.03 1y8m h MET 119 Cb 0.35 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1y8m h MET 119 CO 0.02 1.19 -0.04 0.28 1.06 0.00 0.00 176.91 179.42 1y8m h VAL 120 N 0.29 1.29 -0.26 -2.22 2.07 -1.35 -1.62 116.25 114.45 1y8m h VAL 120 Ca -0.07 -1.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.30 1y8m h VAL 120 Cb 1.37 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1y8m h VAL 120 CO 0.15 0.29 -0.46 -0.33 0.02 0.00 0.00 177.57 177.24 1y8m h GLU 121 N -0.03 0.67 -0.64 1.57 3.07 -0.69 -1.08 114.58 117.44 1y8m h GLU 121 Ca 0.04 -0.38 -0.08 0.00 -0.50 0.00 0.00 59.36 58.44 1y8m h GLU 121 Cb 0.47 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1y8m h GLU 121 CO 0.02 0.99 0.10 -0.44 -1.40 0.00 0.00 179.01 178.27 1y8m h ASP 122 N 0.54 1.03 0.31 1.42 5.19 -0.98 0.45 116.42 124.38 1y8m h ASP 122 Ca 0.03 -0.26 -0.19 0.00 -0.62 0.00 0.00 57.03 55.99 1y8m h ASP 122 Cb 1.00 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 1y8m h ASP 122 CO 0.09 1.03 -0.76 0.11 -3.12 0.00 0.00 179.24 176.60 1y8m h LYS 123 N 0.98 0.37 0.00 3.56 1.79 -1.20 -3.04 116.57 119.04 1y8m h LYS 123 Ca 0.19 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1y8m h LYS 123 Cb 0.44 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1y8m h LYS 123 CO 0.01 0.97 -0.25 0.82 -1.08 0.00 0.00 179.45 179.92 1y8m h ILE 124 N 0.24 0.06 -0.16 1.86 2.04 -0.99 -3.01 117.51 117.56 1y8m h ILE 124 Ca -0.04 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.62 1y8m h ILE 124 Cb 1.34 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 1y8m h ILE 124 CO 0.13 0.03 -0.40 1.56 0.00 0.00 0.00 178.15 179.48 1y8m h GLN 125 N 0.00 0.35 -0.03 2.37 4.20 0.01 -2.72 115.11 119.29 1y8m h GLN 125 Ca -0.00 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.37 1y8m h GLN 125 Cb 1.03 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1y8m h GLN 125 CO 0.00 0.70 -0.75 0.87 -0.67 0.00 0.00 178.83 178.98 1y8m h LYS 126 N 0.30 0.20 0.00 1.46 1.79 -1.48 -2.96 116.57 115.87 1y8m h LYS 126 Ca 0.03 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1y8m h LYS 126 Cb 0.83 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1y8m h LYS 126 CO 0.07 0.86 0.39 0.39 -1.08 0.00 0.00 179.45 180.08 1y8m n GLU 127 N -3.75 0.06 0.00 3.15 -0.58 -1.03 -1.06 120.64 117.43 1y8m n GLU 127 Ca -0.03 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1y8m n GLU 127 Cb 0.72 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1y8m n GLU 127 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1y8m n THR 128 N -1.84 0.00 0.00 2.62 5.66 -1.12 -4.86 114.28 114.74 1y8m n THR 128 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1y8m n THR 128 Cb 0.40 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 1y8m n THR 128 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1y8m n LEU 129 N -0.01 0.00 0.00 1.09 4.32 -0.23 -2.82 117.00 119.36 1y8m n LEU 129 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1y8m n LEU 129 Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1y8m n LEU 129 CO 0.00 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.34 1y8m n LYS 130 N 0.00 0.00 0.00 3.23 4.81 -1.26 -5.05 118.16 119.89 1y8m n LYS 130 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1y8m n LYS 130 Cb 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 35.03 34.88 1y8m n LYS 130 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y8m n GLY 131 N -0.24 1.69 0.00 3.14 0.00 -1.13 -4.07 105.19 104.59 1y8m n GLY 131 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1y8m n GLY 131 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1y8m n VAL 132 N 0.00 0.00 -2.03 1.61 3.14 -1.26 -5.11 118.33 114.68 1y8m n VAL 132 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1y8m n VAL 132 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1y8m n VAL 132 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1y8m s VAL 133 N -0.29 2.75 -0.05 1.55 0.11 -1.26 -4.96 120.40 118.25 1y8m s VAL 133 Ca 0.00 0.60 -0.29 0.00 -2.93 0.00 0.00 61.98 59.36 1y8m s VAL 133 Cb 0.00 -3.38 -0.02 0.00 -1.53 0.00 0.00 36.38 31.44 1y8m s VAL 133 CO 0.00 0.08 0.97 0.54 -3.33 0.00 0.00 175.10 173.36 1y8m s VAL 134 N 0.34 4.85 0.08 2.04 0.11 -1.26 -4.91 120.40 121.63 1y8m s VAL 134 Ca 0.62 2.00 -0.00 0.00 -2.93 0.00 0.00 61.98 61.67 1y8m s VAL 134 Cb -0.41 -4.30 -0.00 0.00 -1.53 0.00 0.00 36.38 30.14 1y8m s VAL 134 CO 0.39 0.10 -0.01 0.00 -3.33 0.00 0.00 175.10 172.25 1y8m n ALA 135 N 4.39 2.96 -1.00 1.54 0.00 -1.26 -4.96 120.51 122.17 1y8m n ALA 135 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1y8m n ALA 135 Cb 0.50 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 3.46 -1.37 0.00 0.00 0.00 -1.26 -5.07 105.19 100.95 1y8m n GLY 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.73 1.36 0.00 -0.02 0.00 -1.26 -4.95 105.19 101.05 1y8m n GLY 137 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1y8m n GLY 137 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1y8m n VAL 138 N 0.00 0.07 -2.28 1.61 3.14 -1.26 -4.88 118.33 114.74 1y8m n VAL 138 Ca 0.00 0.02 -0.02 0.00 -2.96 0.00 0.00 64.34 61.38 1y8m n VAL 138 Cb 0.00 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.95 1y8m n VAL 138 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1y8m n HIS 139 N -1.03 -2.33 -3.55 1.45 -0.00 -1.26 -5.08 115.22 103.42 1y8m n HIS 139 Ca 0.09 1.00 -0.12 0.00 -0.00 0.00 0.00 57.72 58.68 1y8m n HIS 139 Cb 0.05 -3.06 -0.05 0.00 -0.00 0.00 0.00 29.99 26.93 1y8m n HIS 139 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1y8m s HIS 140 N -1.40 -0.44 -0.28 1.57 2.46 -1.26 -5.17 115.29 110.77 1y8m s HIS 140 Ca 0.06 0.68 -0.16 0.00 0.47 0.00 0.00 55.06 56.11 1y8m s HIS 140 Cb -0.02 0.46 0.08 0.00 -0.13 0.00 0.00 32.58 32.97 1y8m s HIS 140 CO 0.48 -0.45 0.69 -3.38 -2.47 0.00 0.00 174.74 169.60 1y8m s HIS 141 N -1.52 -1.09 -1.26 3.88 -3.43 -1.26 -5.01 115.29 105.60 1y8m s HIS 141 Ca -0.03 2.15 0.08 0.00 -0.80 0.00 0.00 55.06 56.46 1y8m s HIS 141 Cb -0.00 0.65 0.33 0.00 -1.43 0.00 0.00 32.58 32.13 1y8m s HIS 141 CO 0.02 -0.54 1.14 0.72 -2.00 0.00 0.00 174.74 174.08 1y8m n HIS 142 N 4.40 0.71 -3.61 0.38 8.25 -1.26 -4.92 115.22 119.18 1y8m n HIS 142 Ca -0.19 -0.28 -0.26 0.00 -0.26 0.00 0.00 57.72 56.73 1y8m n HIS 142 Cb 0.58 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 31.56 1y8m n HIS 142 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y8m n HIS 143 N 0.36 -2.10 1.21 4.41 8.25 -1.26 -5.40 115.22 120.69 1y8m n HIS 143 Ca 0.12 0.62 0.10 0.00 -0.26 0.00 0.00 57.72 58.30 1y8m n HIS 143 Cb 0.50 -3.40 0.58 0.00 1.12 0.00 0.00 29.99 28.78 1y8m n HIS 143 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56