#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8m s THR 2 N 0.00 3.88 -0.66 2.03 -4.23 -1.26 -4.90 115.64 110.50 1y8m s THR 2 Ca 0.00 1.32 -0.07 0.00 -1.18 0.00 0.00 61.69 61.76 1y8m s THR 2 Cb 0.00 -3.62 -0.17 0.00 1.34 0.00 0.00 72.50 70.05 1y8m s THR 2 CO 0.00 -0.10 3.03 0.29 -0.54 0.00 0.00 174.62 177.30 1y8m n LYS 3 N -0.38 2.47 -3.19 3.99 5.02 -1.26 -4.41 118.16 120.41 1y8m n LYS 3 Ca 0.06 -1.40 -0.22 0.00 -2.02 0.00 0.00 58.31 54.74 1y8m n LYS 3 Cb 0.51 -2.30 -0.05 0.00 -0.02 0.00 0.00 35.03 33.18 1y8m n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1y8m n VAL 4 N 3.10 -0.06 -0.83 -0.18 0.31 -1.26 -5.10 118.33 114.31 1y8m n VAL 4 Ca 0.53 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 60.42 1y8m n VAL 4 Cb 0.54 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1y8m n VAL 4 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1y8m n ASP 5 N 0.75 0.00 -2.72 4.52 8.00 -1.26 -5.08 116.55 120.76 1y8m n ASP 5 Ca 0.24 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.66 1y8m n ASP 5 Cb 0.58 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 1y8m n ASP 5 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1y8m n PHE 6 N 0.00 -3.37 -3.31 1.24 3.01 -1.26 -4.54 117.46 109.22 1y8m n PHE 6 Ca 0.00 -0.27 -0.13 0.00 1.01 0.00 0.00 57.45 58.07 1y8m n PHE 6 Cb 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 1y8m n PHE 6 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1y8m n TRP 7 N -2.99 -2.72 -0.13 1.38 8.01 -1.26 -4.66 117.44 115.07 1y8m n TRP 7 Ca 0.04 1.08 -0.01 0.00 -1.31 0.00 0.00 57.50 57.30 1y8m n TRP 7 Cb 0.15 -3.47 -0.01 0.00 -2.01 0.00 0.00 31.31 25.97 1y8m n TRP 7 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1y8m n PRO 8 N -1.71 0.25 -1.33 -0.99 -0.02 -1.26 -4.85 135.00 125.10 1y8m n PRO 8 Ca -0.10 -0.07 0.16 0.00 -2.02 0.00 0.00 63.50 61.47 1y8m n PRO 8 Cb 0.57 -1.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 1y8m n PRO 8 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1y8m n THR 9 N 2.27 -0.48 0.18 3.45 -2.24 -1.26 -3.27 114.28 112.93 1y8m n THR 9 Ca 0.03 0.66 0.06 0.00 -2.27 0.00 0.00 64.05 62.54 1y8m n THR 9 Cb 0.12 -1.08 0.27 0.00 -2.10 0.00 0.00 70.33 67.54 1y8m n THR 9 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1y8m h LEU 10 N -1.38 0.00 -1.20 3.22 5.85 -1.97 -3.17 115.31 116.66 1y8m h LEU 10 Ca -0.13 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1y8m h LEU 10 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1y8m h LEU 10 CO 0.06 0.35 -0.27 0.11 -0.34 0.00 0.00 178.44 178.34 1y8m h LYS 11 N 0.00 0.20 -0.32 1.25 1.57 -2.00 -2.71 116.57 114.56 1y8m h LYS 11 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1y8m h LYS 11 Cb 1.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1y8m h LYS 11 CO 0.05 0.47 0.17 0.22 -0.57 0.00 0.00 179.45 179.78 1y8m h ASP 12 N 0.18 0.38 -0.21 0.86 1.82 -1.53 -1.38 116.42 116.54 1y8m h ASP 12 Ca 0.03 -0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.71 1y8m h ASP 12 Cb 0.59 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1y8m h ASP 12 CO 0.04 0.31 0.24 0.00 -1.61 0.00 0.00 179.24 178.23 1y8m h ALA 13 N 1.75 1.82 -0.69 -0.78 0.00 -1.65 -0.44 119.26 119.28 1y8m h ALA 13 Ca 0.11 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.62 1y8m h ALA 13 Cb 0.02 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.62 1y8m h ALA 13 CO -0.02 -0.35 0.51 0.66 0.00 0.00 0.00 179.25 180.05 1y8m n TYR 14 N -3.74 2.16 -3.82 0.00 4.02 -0.52 -4.33 117.16 110.94 1y8m n TYR 14 Ca 0.02 -1.81 -0.28 0.00 -0.01 0.00 0.00 57.90 55.82 1y8m n TYR 14 Cb 0.37 -0.90 -0.12 0.00 -0.02 0.00 0.00 39.34 38.67 1y8m n TYR 14 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1y8m s GLU 15 N -2.41 2.13 -0.02 -0.72 2.02 -0.18 -5.08 118.70 114.45 1y8m s GLU 15 Ca 0.41 -3.03 -0.32 0.00 0.02 0.00 0.00 54.97 52.05 1y8m s GLU 15 Cb 0.34 -3.05 -0.10 0.00 0.10 0.00 0.00 34.13 31.42 1y8m s GLU 15 CO 0.04 -1.28 1.94 -2.30 0.02 0.00 0.00 175.26 173.68 1y8m n PRO 16 N 2.27 2.58 0.00 0.39 -0.02 -1.26 -4.97 135.00 133.99 1y8m n PRO 16 Ca 0.20 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 1y8m n PRO 16 Cb 0.37 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 1y8m n PRO 16 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1y8m n LEU 17 N 7.18 0.00 -4.92 2.45 4.32 -1.26 -5.08 117.00 119.69 1y8m n LEU 17 Ca 0.21 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.90 1y8m n LEU 17 Cb 0.36 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.12 1y8m n LEU 17 CO 0.70 0.00 -0.12 -0.31 -1.22 0.00 0.00 177.39 176.44 1y8m s TYR 18 N 1.48 3.51 0.65 -1.77 2.02 -1.26 -4.97 117.35 117.00 1y8m s TYR 18 Ca 0.00 0.25 0.36 0.00 -0.37 0.00 0.00 57.07 57.31 1y8m s TYR 18 Cb 0.00 -1.76 2.00 0.00 -0.40 0.00 0.00 41.96 41.80 1y8m s TYR 18 CO 0.00 0.56 2.18 -1.00 -1.57 0.00 0.00 175.55 175.71 1y8m h PRO 19 N 2.84 0.00 -0.03 -1.71 0.13 -1.98 -2.08 132.00 129.17 1y8m h PRO 19 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1y8m h PRO 19 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1y8m h PRO 19 CO 0.74 0.00 -0.03 0.37 -0.23 0.00 0.00 178.00 178.85 1y8m h GLN 20 N 0.00 0.07 -0.63 0.86 4.15 -1.99 0.49 115.11 118.06 1y8m h GLN 20 Ca 0.02 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1y8m h GLN 20 Cb 0.31 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1y8m h GLN 20 CO -0.00 0.56 0.42 1.96 -1.93 0.00 0.00 178.83 179.84 1y8m h GLN 21 N -0.42 0.80 -0.15 1.69 1.08 -1.79 -0.93 115.11 115.39 1y8m h GLN 21 Ca 0.00 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 1y8m h GLN 21 Cb 0.55 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1y8m h GLN 21 CO 0.01 0.53 -0.55 1.25 -0.95 0.00 0.00 178.83 179.12 1y8m h LEU 22 N 0.82 0.49 -0.87 1.46 5.85 -1.35 -2.93 115.31 118.78 1y8m h LEU 22 Ca 0.24 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1y8m h LEU 22 Cb -0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1y8m h LEU 22 CO -0.06 0.95 -0.55 -0.08 -0.34 0.00 0.00 178.44 178.36 1y8m h GLU 23 N 0.34 0.03 -0.17 1.25 4.81 0.28 -2.75 114.58 118.37 1y8m h GLU 23 Ca 0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1y8m h GLU 23 Cb 1.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1y8m h GLU 23 CO 0.10 0.57 0.10 0.82 -0.73 0.00 0.00 179.01 179.87 1y8m h ILE 24 N 0.02 1.07 0.00 2.32 2.04 -1.04 0.28 117.51 122.21 1y8m h ILE 24 Ca -0.00 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1y8m h ILE 24 Cb 0.99 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1y8m h ILE 24 CO 0.07 0.07 -0.11 -0.07 0.00 0.00 0.00 178.15 178.11 1y8m h LEU 25 N 0.20 0.00 -0.07 1.44 3.38 -1.45 -1.53 115.31 117.28 1y8m h LEU 25 Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 1y8m h LEU 25 Cb 0.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.79 1y8m h LEU 25 CO -0.01 0.11 -0.92 -0.09 0.09 0.00 0.00 178.44 177.62 1y8m h ARG 26 N 0.00 0.75 -0.66 1.13 2.43 -0.95 -1.75 114.38 115.33 1y8m h ARG 26 Ca -0.00 -0.71 0.01 0.00 -0.81 0.00 0.00 59.98 58.47 1y8m h ARG 26 Cb 0.21 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1y8m h ARG 26 CO 0.01 1.30 0.43 0.37 -1.51 0.00 0.00 179.97 180.57 1y8m h GLN 27 N 0.47 0.85 -0.37 0.20 4.15 0.33 0.38 115.11 121.12 1y8m h GLN 27 Ca -0.09 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.16 1y8m h GLN 27 Cb 1.57 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 1y8m h GLN 27 CO 0.19 0.56 -0.23 0.37 -1.93 0.00 0.00 178.83 177.79 1y8m h GLN 28 N 0.87 0.73 0.07 1.69 5.75 -1.28 0.40 115.11 123.34 1y8m h GLN 28 Ca 0.25 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1y8m h GLN 28 Cb -0.08 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.44 1y8m h GLN 28 CO -0.06 0.89 -0.04 0.28 -2.65 0.00 0.00 178.83 177.26 1y8m h VAL 29 N 0.64 1.20 -0.47 2.39 2.07 -0.57 -2.29 116.25 119.22 1y8m h VAL 29 Ca 0.09 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1y8m h VAL 29 Cb 0.73 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1y8m h VAL 29 CO 0.06 0.27 0.05 0.58 0.02 0.00 0.00 177.57 178.54 1y8m h VAL 30 N -0.61 1.25 -0.11 2.57 2.07 -0.23 0.56 116.25 121.75 1y8m h VAL 30 Ca -0.01 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1y8m h VAL 30 Cb 0.51 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1y8m h VAL 30 CO 0.02 0.34 0.04 -1.28 0.02 0.00 0.00 177.57 176.70 1y8m h SER 31 N 0.66 0.13 0.82 0.57 0.87 -0.24 0.06 113.55 116.42 1y8m h SER 31 Ca 0.14 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1y8m h SER 31 Cb 0.43 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1y8m h SER 31 CO 0.01 0.13 -0.09 -0.62 -0.53 0.00 0.00 176.83 175.73 1y8m n GLU 32 N -4.48 0.10 0.00 2.24 1.02 -0.86 -4.84 120.64 113.81 1y8m n GLU 32 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1y8m n GLU 32 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.46 1.28 7.00 0.62 0.00 -0.01 -4.29 105.19 111.25 1y8m n GLY 33 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 3.22 0.28 -0.02 0.00 0.19 -2.57 105.19 106.29 1y8m n GLY 34 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 0.77 0.00 1.61 0.11 -1.95 0.16 132.00 132.70 1y8m h PRO 35 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y8m h PRO 35 Cb 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1y8m h PRO 35 CO 0.00 0.51 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 1y8m n THR 36 N -4.73 0.00 -1.61 -1.15 -2.24 -1.06 -4.78 114.28 98.72 1y8m n THR 36 Ca 0.10 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.55 1y8m n THR 36 Cb 0.17 -0.30 0.06 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.00 2.42 1.18 6.98 0.00 0.56 -4.74 121.76 126.16 1y8m s ALA 37 Ca 0.01 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 1y8m s ALA 37 Cb 0.00 -3.30 0.22 0.00 0.00 0.00 0.00 23.12 20.04 1y8m s ALA 37 CO 0.01 -1.41 0.48 2.41 0.00 0.00 0.00 175.76 177.25 1y8m n THR 38 N -2.75 0.00 -0.04 0.00 -1.04 -1.26 -4.84 114.28 104.35 1y8m n THR 38 Ca 0.10 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 1y8m n THR 38 Cb 0.52 -0.78 -0.09 0.00 -1.82 0.00 0.00 70.33 68.16 1y8m n THR 38 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1y8m h ILE 39 N -2.57 1.42 -0.42 12.58 2.04 -1.95 -3.10 117.51 125.51 1y8m h ILE 39 Ca -0.54 -1.62 0.12 0.00 1.00 0.00 0.00 64.86 63.83 1y8m h ILE 39 Cb 1.30 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 39.61 1y8m h ILE 39 CO 0.39 0.46 0.38 -0.61 0.00 0.00 0.00 178.15 178.78 1y8m h GLN 40 N -0.17 0.00 -0.10 2.37 4.15 -1.99 -0.30 115.11 119.06 1y8m h GLN 40 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1y8m h GLN 40 Cb 0.88 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.57 1y8m h GLN 40 CO 0.05 0.00 -0.12 0.77 -1.93 0.00 0.00 178.83 177.60 1y8m h SER 41 N 0.00 0.29 -0.02 -0.69 0.02 -1.88 -2.95 113.55 108.31 1y8m h SER 41 Ca 0.20 -0.50 -0.17 0.00 -0.84 0.00 0.00 61.79 60.48 1y8m h SER 41 Cb 0.96 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 1y8m h SER 41 CO -0.00 0.73 -0.55 0.03 -1.14 0.00 0.00 176.83 175.90 1y8m h ARG 42 N -0.15 0.61 -0.21 3.45 3.08 -1.30 -2.82 114.38 117.04 1y8m h ARG 42 Ca 0.01 -0.39 0.06 0.00 0.07 0.00 0.00 59.98 59.73 1y8m h ARG 42 Cb 0.66 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 1y8m h ARG 42 CO 0.03 1.00 -0.18 0.35 -1.07 0.00 0.00 179.97 180.10 1y8m h PHE 43 N 0.47 -0.46 -0.12 3.04 3.04 -1.10 -0.36 116.94 121.45 1y8m h PHE 43 Ca 0.01 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 1y8m h PHE 43 Cb 1.11 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.84 1y8m h PHE 43 CO 0.05 -0.25 -0.24 -0.97 -2.02 0.00 0.00 178.31 174.88 1y8m h ASN 44 N -0.19 0.20 -0.55 0.41 -0.73 -1.53 -2.20 115.58 111.00 1y8m h ASN 44 Ca 0.13 -0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.27 1y8m h ASN 44 Cb 0.38 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.88 1y8m h ASN 44 CO -0.32 0.45 0.37 0.22 -0.37 0.00 0.00 177.43 177.77 1y8m h TYR 45 N 0.19 0.62 0.00 0.67 3.20 -0.83 -0.30 116.97 120.53 1y8m h TYR 45 Ca 0.03 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1y8m h TYR 45 Cb 0.53 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1y8m h TYR 45 CO 0.01 0.37 -0.50 0.00 -1.64 0.00 0.00 178.16 176.40 1y8m h ALA 46 N 1.68 0.86 -0.04 1.82 0.00 -0.69 -3.04 119.26 119.85 1y8m h ALA 46 Ca 0.22 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y8m h ALA 46 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1y8m h ALA 46 CO -0.06 0.62 0.01 2.35 0.00 0.00 0.00 179.25 182.18 1y8m h TRP 47 N 0.00 0.06 -0.02 0.00 2.91 -0.88 -1.84 115.95 116.18 1y8m h TRP 47 Ca -0.00 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.92 1y8m h TRP 47 Cb 1.11 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.73 1y8m h TRP 47 CO 0.00 0.20 -0.41 0.78 -1.03 0.00 0.00 178.44 177.98 1y8m h GLY 48 N -0.10 0.05 1.67 2.65 0.00 -1.57 -2.64 103.07 103.13 1y8m h GLY 48 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1y8m h GLY 48 CO -0.00 0.04 -0.33 1.41 0.00 0.00 0.00 176.54 177.66 1y8m h LEU 49 N 0.04 0.38 -0.67 3.11 3.38 -1.38 -2.58 115.31 117.59 1y8m h LEU 49 Ca 0.00 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1y8m h LEU 49 Cb 0.75 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1y8m h LEU 49 CO 0.06 0.69 -0.57 0.40 0.09 0.00 0.00 178.44 179.11 1y8m h ILE 50 N 0.32 1.23 0.00 1.22 2.04 -0.99 -2.73 117.51 118.59 1y8m h ILE 50 Ca 0.04 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.83 1y8m h ILE 50 Cb 0.73 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1y8m h ILE 50 CO 0.06 0.56 0.00 0.11 0.00 0.00 0.00 178.15 178.87 1y8m h LYS 51 N 0.00 0.00 -7.14 2.37 1.57 -1.18 -3.45 116.57 108.74 1y8m h LYS 51 Ca -0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.24 1y8m h LYS 51 Cb 1.13 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.63 1y8m h LYS 51 CO 0.07 0.00 0.14 0.45 -0.57 0.00 0.00 179.45 179.55 1y8m n SER 52 N -2.48 0.29 0.01 0.86 2.88 -1.03 -4.20 113.62 109.95 1y8m n SER 52 Ca 0.03 0.50 -0.09 0.00 -1.33 0.00 0.00 58.87 57.98 1y8m n SER 52 Cb 0.32 -1.45 -0.13 0.00 -0.75 0.00 0.00 64.21 62.20 1y8m n SER 52 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1y8m h THR 53 N -1.28 1.13 -4.12 2.46 1.35 -1.88 -3.47 112.91 107.10 1y8m h THR 53 Ca -0.45 -2.93 -0.46 0.00 -0.55 0.00 0.00 66.41 62.02 1y8m h THR 53 Cb 1.29 2.57 0.01 0.00 -1.73 0.00 0.00 68.15 70.30 1y8m h THR 53 CO 0.43 0.66 0.37 -1.81 -0.25 0.00 0.00 175.52 174.92 1y8m s ASP 54 N -6.35 6.53 0.32 5.36 1.01 -1.26 -4.95 116.67 117.33 1y8m s ASP 54 Ca -0.03 1.75 0.25 0.00 0.71 0.00 0.00 52.55 55.22 1y8m s ASP 54 Cb 0.09 -2.54 0.61 0.00 1.01 0.00 0.00 42.92 42.09 1y8m s ASP 54 CO 0.82 -0.65 1.71 1.62 0.21 0.00 0.00 175.17 178.88 1y8m h VAL 55 N 1.36 0.00 -0.26 -1.27 3.04 -1.98 -3.28 116.25 113.86 1y8m h VAL 55 Ca -0.48 -0.71 0.03 0.00 -1.01 0.00 0.00 66.70 64.53 1y8m h VAL 55 Cb 1.20 1.70 -0.03 0.00 -2.01 0.00 0.00 31.29 32.15 1y8m h VAL 55 CO 0.60 0.00 0.09 0.78 -1.01 0.00 0.00 177.57 178.03 1y8m h ASN 56 N 0.00 0.10 0.35 3.17 -0.26 -1.98 -1.15 115.58 115.81 1y8m h ASN 56 Ca 0.00 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.64 1y8m h ASN 56 Cb 0.84 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.11 1y8m h ASN 56 CO 0.00 0.09 -0.51 0.44 -1.06 0.00 0.00 177.43 176.39 1y8m h ASP 57 N 0.21 0.20 -0.54 5.81 3.32 -1.85 -2.87 116.42 120.70 1y8m h ASP 57 Ca 0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1y8m h ASP 57 Cb 0.08 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1y8m h ASP 57 CO -0.12 0.68 0.27 -0.33 -1.72 0.00 0.00 179.24 178.03 1y8m h GLU 58 N 0.15 0.76 0.00 3.56 4.39 -1.41 -0.58 114.58 121.46 1y8m h GLU 58 Ca 0.00 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1y8m h GLU 58 Cb 0.95 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1y8m h GLU 58 CO 0.08 0.62 -0.20 0.00 -1.16 0.00 0.00 179.01 178.34 1y8m h ARG 59 N 0.72 0.00 -0.00 2.33 3.08 -1.16 -2.32 114.38 117.03 1y8m h ARG 59 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1y8m h ARG 59 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1y8m h ARG 59 CO -0.03 0.20 -0.16 1.25 -1.07 0.00 0.00 179.97 180.16 1y8m h LEU 60 N 0.00 0.15 -0.62 3.04 5.85 -1.09 -2.94 115.31 119.70 1y8m h LEU 60 Ca -0.00 -0.77 0.03 0.00 0.84 0.00 0.00 57.88 57.98 1y8m h LEU 60 Cb 0.58 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1y8m h LEU 60 CO 0.03 0.90 0.38 1.23 -0.34 0.00 0.00 178.44 180.63 1y8m h GLY 61 N -0.58 0.90 0.58 3.75 0.00 -1.01 -1.21 103.07 105.50 1y8m h GLY 61 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1y8m h GLY 61 CO 0.03 0.23 -0.08 -2.08 0.00 0.00 0.00 176.54 174.64 1y8m h VAL 62 N 0.74 0.74 -0.21 4.60 2.07 -1.49 0.14 116.25 122.84 1y8m h VAL 62 Ca 0.25 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.80 1y8m h VAL 62 Cb 0.04 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1y8m h VAL 62 CO -0.11 0.00 0.06 0.50 0.02 0.00 0.00 177.57 178.04 1y8m h LYS 63 N -0.07 0.15 -0.01 1.57 3.64 -1.25 0.64 116.57 121.25 1y8m h LYS 63 Ca 0.09 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1y8m h LYS 63 Cb 0.20 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1y8m h LYS 63 CO -0.21 0.10 -0.10 0.82 -2.27 0.00 0.00 179.45 177.79 1y8m h ILE 64 N 0.15 0.74 -0.20 2.00 2.04 -0.67 0.35 117.51 121.91 1y8m h ILE 64 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1y8m h ILE 64 Cb 0.07 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1y8m h ILE 64 CO -0.11 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 178.12 1y8m h LEU 65 N -0.17 0.06 0.00 1.44 3.38 -0.35 0.83 115.31 120.50 1y8m h LEU 65 Ca 0.04 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1y8m h LEU 65 Cb 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1y8m h LEU 65 CO -0.11 0.04 -0.78 0.74 0.09 0.00 0.00 178.44 178.43 1y8m h THR 66 N 0.07 1.17 -0.04 0.22 2.02 0.50 -2.04 112.91 114.81 1y8m h THR 66 Ca 0.09 -2.69 -0.13 0.00 0.77 0.00 0.00 66.41 64.45 1y8m h THR 66 Cb 0.28 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1y8m h THR 66 CO -0.01 0.67 -0.49 -0.78 0.37 0.00 0.00 175.52 175.28 1y8m h ASP 67 N 0.00 0.50 0.45 4.18 1.82 0.16 -2.33 116.42 121.20 1y8m h ASP 67 Ca -0.02 -0.71 -0.08 0.00 -0.39 0.00 0.00 57.03 55.83 1y8m h ASP 67 Cb 1.56 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.41 1y8m h ASP 67 CO 0.09 1.14 -0.37 0.40 -1.61 0.00 0.00 179.24 178.89 1y8m h ILE 68 N -0.09 1.16 -0.31 2.25 2.04 -0.99 -1.73 117.51 119.84 1y8m h ILE 68 Ca -0.05 -1.30 -0.15 0.00 1.00 0.00 0.00 64.86 64.36 1y8m h ILE 68 Cb 1.18 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1y8m h ILE 68 CO 0.10 0.36 -0.39 0.22 0.00 0.00 0.00 178.15 178.43 1y8m h TYR 69 N 0.00 0.89 0.00 1.37 3.20 -1.31 1.44 116.97 122.56 1y8m h TYR 69 Ca -0.00 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 61.50 1y8m h TYR 69 Cb 0.69 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1y8m h TYR 69 CO 0.00 1.02 -0.50 0.87 -1.64 0.00 0.00 178.16 177.92 1y8m h LYS 70 N 0.61 0.00 0.00 1.82 1.57 -0.97 -3.34 116.57 116.26 1y8m h LYS 70 Ca 0.05 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.54 1y8m h LYS 70 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 1y8m h LYS 70 CO 0.09 0.50 -2.09 -1.91 -0.57 0.00 0.00 179.45 175.47 1y8m n GLU 71 N -3.45 1.37 -3.39 3.15 2.13 -0.69 -4.77 120.64 114.98 1y8m n GLU 71 Ca 0.00 -0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.38 1y8m n GLU 71 Cb 0.62 -1.41 -0.02 0.00 0.27 0.00 0.00 31.44 30.91 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 -2.38 4.45 0.00 4.31 0.00 0.49 -4.97 121.76 123.65 1y8m s ALA 72 Ca -0.09 -3.68 0.00 0.00 0.00 0.00 0.00 51.96 48.19 1y8m s ALA 72 Cb 0.05 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1y8m s ALA 72 CO 0.64 -2.21 0.28 -0.85 0.00 0.00 0.00 175.76 173.62 1y8m n GLU 73 N 3.04 0.00 -0.30 0.00 0.00 -1.26 -2.73 120.64 119.38 1y8m n GLU 73 Ca 0.20 0.16 0.06 0.00 0.00 0.00 0.00 57.16 57.58 1y8m n GLU 73 Cb 0.41 -0.78 0.14 0.00 0.00 0.00 0.00 31.44 31.20 1y8m n GLU 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1y8m n SER 74 N -0.45 -0.27 -0.24 -1.84 2.88 -1.26 0.21 113.62 112.64 1y8m n SER 74 Ca 0.00 1.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 1y8m n SER 74 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 -5.34 0.37 -0.00 -1.46 5.12 -1.13 -3.31 116.66 110.91 1y8m n ARG 75 Ca 0.14 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.88 1y8m n ARG 75 Cb 0.45 -1.09 -0.09 0.00 -1.16 0.00 0.00 32.46 30.57 1y8m n ARG 75 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1y8m h ARG 76 N 0.31 0.72 -0.82 5.56 0.11 0.26 -3.10 114.38 117.42 1y8m h ARG 76 Ca 0.00 -0.66 0.14 0.00 0.10 0.00 0.00 59.98 59.56 1y8m h ARG 76 Cb 0.09 0.16 -0.09 0.00 1.11 0.00 0.00 29.97 31.24 1y8m h ARG 76 CO 0.00 1.26 0.40 0.00 0.10 0.00 0.00 179.97 181.73 1y8m h ARG 77 N 0.42 0.56 -0.40 0.08 3.08 -1.77 0.16 114.38 116.52 1y8m h ARG 77 Ca -0.08 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1y8m h ARG 77 Cb 1.48 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 1y8m h ARG 77 CO 0.17 0.37 -0.15 0.93 -1.07 0.00 0.00 179.97 180.23 1y8m h GLU 78 N 0.58 0.73 -0.34 0.04 4.39 -1.83 -3.01 114.58 115.14 1y8m h GLU 78 Ca 0.45 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1y8m h GLU 78 Cb 0.63 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1y8m h GLU 78 CO -0.37 0.84 0.12 0.00 -1.16 0.00 0.00 179.01 178.45 1y8m h LEU 80 N 0.40 0.77 0.06 0.00 3.38 -1.03 0.90 115.31 119.79 1y8m h LEU 80 Ca 0.11 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1y8m h LEU 80 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1y8m h LEU 80 CO -0.01 0.37 -0.03 0.22 0.09 0.00 0.00 178.44 179.08 1y8m h TYR 81 N 0.83 -0.07 -0.10 1.13 3.20 -1.35 -2.65 116.97 117.96 1y8m h TYR 81 Ca 0.49 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.30 1y8m h TYR 81 Cb 0.59 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1y8m h TYR 81 CO -0.03 0.38 -0.19 1.88 -1.64 0.00 0.00 178.16 178.56 1y8m h TYR 82 N -0.56 0.17 -0.63 -3.82 0.05 -0.36 -2.50 116.97 109.32 1y8m h TYR 82 Ca -0.01 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 1y8m h TYR 82 Cb 0.49 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1y8m h TYR 82 CO 0.08 0.34 0.02 -0.07 -1.05 0.00 0.00 178.16 177.49 1y8m h LEU 83 N 0.15 1.06 -0.95 3.88 3.38 0.84 0.18 115.31 123.86 1y8m h LEU 83 Ca 0.03 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1y8m h LEU 83 Cb 0.42 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1y8m h LEU 83 CO 0.03 1.10 0.61 0.74 0.09 0.00 0.00 178.44 181.01 1y8m h THR 84 N 1.00 1.10 0.08 0.22 2.02 -1.08 1.03 112.91 117.29 1y8m h THR 84 Ca 0.18 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1y8m h THR 84 Cb 0.54 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1y8m h THR 84 CO 0.03 0.21 -0.04 0.40 0.37 0.00 0.00 175.52 176.49 1y8m h ILE 85 N 1.13 1.18 -0.11 3.11 2.04 -1.27 0.14 117.51 123.73 1y8m h ILE 85 Ca 0.40 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1y8m h ILE 85 Cb 0.11 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1y8m h ILE 85 CO -0.15 0.29 0.07 1.23 0.00 0.00 0.00 178.15 179.58 1y8m h GLY 86 N -0.69 0.16 1.02 5.37 0.00 -0.29 -2.25 103.07 106.38 1y8m h GLY 86 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.01 1y8m h GLY 86 CO 0.02 0.06 -1.02 0.00 0.00 0.00 0.00 176.54 175.60 1y8m h TYR 88 N 0.05 0.12 0.00 0.00 3.20 -0.12 0.27 116.97 120.49 1y8m h TYR 88 Ca -0.16 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 1y8m h TYR 88 Cb 1.73 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 1y8m h TYR 88 CO 0.14 0.05 -0.22 -0.22 -1.64 0.00 0.00 178.16 176.27 1y8m h LYS 89 N 0.11 0.00 -0.44 1.82 1.63 -1.53 -2.63 116.57 115.54 1y8m h LYS 89 Ca 0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1y8m h LYS 89 Cb 0.79 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1y8m h LYS 89 CO -0.03 0.22 0.00 1.28 -3.45 0.00 0.00 179.45 177.48 1y8m n LEU 90 N -3.33 4.69 -2.05 5.20 4.77 0.84 -4.93 117.00 122.19 1y8m n LEU 90 Ca 0.01 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 1y8m n LEU 90 Cb 0.46 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1y8m n LEU 90 CO 0.34 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1y8m n GLY 91 N 0.18 -0.37 1.95 -0.72 0.00 -0.52 -4.68 105.19 101.02 1y8m n GLY 91 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 1.79 0.20 1.61 1.02 -1.07 -4.60 120.64 117.59 1y8m n GLU 92 Ca 0.00 -1.03 0.06 0.00 -0.02 0.00 0.00 57.16 56.16 1y8m n GLU 92 Cb 0.37 -1.73 0.30 0.00 -0.02 0.00 0.00 31.44 30.36 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 2.33 0.00 -0.56 -0.32 0.05 -1.83 0.16 116.97 116.80 1y8m h TYR 93 Ca 0.19 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 1y8m h TYR 93 Cb 1.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.91 1y8m h TYR 93 CO 1.24 0.00 -0.06 1.03 -1.05 0.00 0.00 178.16 179.31 1y8m h SER 94 N 0.00 1.01 0.09 3.88 0.87 -1.97 0.24 113.55 117.67 1y8m h SER 94 Ca 0.00 -0.31 -0.21 0.00 -1.23 0.00 0.00 61.79 60.04 1y8m h SER 94 Cb 0.97 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1y8m h SER 94 CO 0.00 1.10 -0.85 0.24 -0.53 0.00 0.00 176.83 176.79 1y8m h MET 95 N 0.92 0.43 -0.38 2.24 2.86 -1.07 -3.10 114.93 116.83 1y8m h MET 95 Ca 0.15 -0.57 0.02 0.00 -2.06 0.00 0.00 59.70 57.24 1y8m h MET 95 Cb 0.62 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 1y8m h MET 95 CO 0.04 1.23 0.21 0.00 1.06 0.00 0.00 176.91 179.45 1y8m h ALA 96 N 0.22 0.47 -0.46 6.32 0.00 -1.44 -1.14 119.26 123.24 1y8m h ALA 96 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1y8m h ALA 96 Cb 1.60 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1y8m h ALA 96 CO 0.16 -0.14 0.20 -0.22 0.00 0.00 0.00 179.25 179.25 1y8m h LYS 97 N 0.43 0.39 -0.62 0.00 3.11 -1.03 0.00 116.57 118.85 1y8m h LYS 97 Ca 0.15 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.88 1y8m h LYS 97 Cb 0.03 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.15 1y8m h LYS 97 CO -0.08 0.26 0.03 0.00 -2.81 0.00 0.00 179.45 176.84 1y8m h ARG 98 N 0.40 1.07 0.17 1.90 3.08 -1.37 -0.77 114.38 118.86 1y8m h ARG 98 Ca 0.21 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1y8m h ARG 98 Cb 0.15 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1y8m h ARG 98 CO -0.17 1.03 -0.08 1.88 -1.07 0.00 0.00 179.97 181.56 1y8m h TYR 99 N 0.98 -0.21 -0.33 3.04 0.05 -0.75 -1.92 116.97 117.82 1y8m h TYR 99 Ca 0.18 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 1y8m h TYR 99 Cb 0.53 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1y8m h TYR 99 CO 0.04 0.20 0.19 -0.24 -1.05 0.00 0.00 178.16 177.29 1y8m h VAL 100 N -0.70 1.10 0.33 -2.88 3.04 -1.04 -2.08 116.25 114.02 1y8m h VAL 100 Ca -0.02 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 1y8m h VAL 100 Cb 0.50 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1y8m h VAL 100 CO 0.04 0.11 -0.16 -0.78 -1.01 0.00 0.00 177.57 175.77 1y8m h ASP 101 N 0.45 -0.38 -0.31 3.17 1.82 -1.07 0.14 116.42 120.24 1y8m h ASP 101 Ca 0.12 -0.13 0.07 0.00 -0.39 0.00 0.00 57.03 56.70 1y8m h ASP 101 Cb 0.00 0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.04 1y8m h ASP 101 CO -0.02 -0.08 -0.12 0.74 -1.61 0.00 0.00 179.24 178.15 1y8m h THR 102 N -0.69 0.59 -0.63 2.25 2.02 -1.01 -0.78 112.91 114.66 1y8m h THR 102 Ca -0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1y8m h THR 102 Cb 0.48 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1y8m h THR 102 CO 0.07 0.00 0.25 0.25 0.37 0.00 0.00 175.52 176.47 1y8m h LEU 103 N -0.06 0.88 -1.91 2.58 5.85 -1.34 -2.29 115.31 119.02 1y8m h LEU 103 Ca 0.16 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1y8m h LEU 103 Cb 0.31 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1y8m h LEU 103 CO -0.36 0.81 0.03 0.15 -0.34 0.00 0.00 178.44 178.73 1y8m h PHE 104 N 0.89 0.08 -0.71 1.25 3.57 0.21 -1.81 116.94 120.42 1y8m h PHE 104 Ca 0.21 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1y8m h PHE 104 Cb 0.21 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1y8m h PHE 104 CO 0.01 0.06 0.41 1.49 -2.23 0.00 0.00 178.31 178.06 1y8m h GLU 105 N 0.09 0.98 -6.03 1.11 4.22 -0.57 -3.44 114.58 110.94 1y8m h GLU 105 Ca 0.02 -0.10 -0.54 0.00 0.08 0.00 0.00 59.36 58.82 1y8m h GLU 105 Cb 0.01 -0.20 0.24 0.00 0.50 0.00 0.00 28.75 29.31 1y8m h GLU 105 CO -0.00 0.72 -1.92 0.72 -2.18 0.00 0.00 179.01 176.34 1y8m n HIS 106 N -4.51 -4.67 0.48 0.92 8.25 -0.68 -4.82 115.22 110.19 1y8m n HIS 106 Ca 0.06 0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 1y8m n HIS 106 Cb 0.07 -1.44 0.33 0.00 1.12 0.00 0.00 29.99 30.08 1y8m n HIS 106 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1y8m h GLU 107 N -1.02 0.00 0.00 -0.41 4.39 -1.87 -3.42 114.58 112.24 1y8m h GLU 107 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1y8m h GLU 107 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1y8m h GLU 107 CO 0.23 0.00 0.00 -2.13 -1.16 0.00 0.00 179.01 175.95 1y8m n ARG 108 N -2.55 0.00 -1.30 2.33 3.00 -1.26 -5.04 116.66 111.84 1y8m n ARG 108 Ca 0.05 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.06 1y8m n ARG 108 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.85 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 0.00 -7.53 -3.85 6.15 3.02 -1.26 -5.03 115.26 106.75 1y8m n ASN 109 Ca 0.00 1.08 -0.11 0.00 -0.03 0.00 0.00 54.58 55.52 1y8m n ASN 109 Cb 0.00 -4.31 -0.06 0.00 -0.61 0.00 0.00 39.78 34.80 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 -6.99 0.18 0.30 6.41 2.47 -1.26 -5.00 114.94 111.05 1y8m s ASN 110 Ca 0.00 -1.14 0.10 0.00 0.42 0.00 0.00 52.86 52.23 1y8m s ASN 110 Cb 0.00 0.57 0.53 0.00 -1.45 0.00 0.00 41.25 40.90 1y8m s ASN 110 CO 0.00 -1.13 1.16 1.17 -3.72 0.00 0.00 177.10 174.58 1y8m n LYS 111 N -0.40 0.07 0.12 0.43 4.81 -1.26 0.34 118.16 122.26 1y8m n LYS 111 Ca -0.00 0.53 -0.01 0.00 -0.87 0.00 0.00 58.31 57.95 1y8m n LYS 111 Cb 0.63 -2.10 0.05 0.00 0.02 0.00 0.00 35.03 33.63 1y8m n LYS 111 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1y8m h GLN 112 N 0.00 0.00 0.01 1.64 4.20 -1.98 -2.25 115.11 116.73 1y8m h GLN 112 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1y8m h GLN 112 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1y8m h GLN 112 CO 0.00 0.70 -0.12 0.28 -0.67 0.00 0.00 178.83 179.02 1y8m h VAL 113 N 0.00 1.65 -0.76 -0.54 2.07 -0.51 0.23 116.25 118.40 1y8m h VAL 113 Ca -0.01 -2.07 0.03 0.00 0.82 0.00 0.00 66.70 65.47 1y8m h VAL 113 Cb 1.40 3.03 -0.04 0.00 -1.52 0.00 0.00 31.29 34.16 1y8m h VAL 113 CO 0.09 0.55 0.50 1.23 0.02 0.00 0.00 177.57 179.96 1y8m h GLY 114 N -0.75 1.06 0.80 2.17 0.00 -1.60 0.12 103.07 104.88 1y8m h GLY 114 Ca -0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1y8m h GLY 114 CO 0.02 0.34 -0.67 0.00 0.00 0.00 0.00 176.54 176.24 1y8m h ALA 115 N 1.55 0.05 -0.43 3.60 0.00 -1.44 -2.52 119.26 120.08 1y8m h ALA 115 Ca 0.29 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1y8m h ALA 115 Cb -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1y8m h ALA 115 CO -0.08 0.38 0.17 1.25 0.00 0.00 0.00 179.25 180.97 1y8m h LEU 116 N -0.10 0.20 -1.59 0.00 5.85 -0.00 0.98 115.31 120.64 1y8m h LEU 116 Ca -0.09 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1y8m h LEU 116 Cb 1.39 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1y8m h LEU 116 CO 0.13 0.15 0.31 0.50 -0.34 0.00 0.00 178.44 179.19 1y8m h LYS 117 N 0.35 0.53 -0.66 1.25 3.64 -0.80 -1.53 116.57 119.34 1y8m h LYS 117 Ca 0.20 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 1y8m h LYS 117 Cb 0.17 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1y8m h LYS 117 CO -0.18 0.35 0.44 0.77 -2.27 0.00 0.00 179.45 178.56 1y8m h SER 118 N 0.54 0.41 -0.04 4.20 0.02 -0.34 1.62 113.55 119.95 1y8m h SER 118 Ca 0.18 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.91 1y8m h SER 118 Cb 0.06 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 62.55 1y8m h SER 118 CO -0.04 0.24 -0.90 0.24 -1.14 0.00 0.00 176.83 175.23 1y8m h MET 119 N 0.45 0.68 -0.05 3.45 2.86 -1.13 0.56 114.93 121.74 1y8m h MET 119 Ca 0.31 -0.68 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 1y8m h MET 119 Cb 0.61 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1y8m h MET 119 CO -0.09 1.27 -0.06 0.28 1.06 0.00 0.00 176.91 179.37 1y8m h VAL 120 N 0.35 1.39 -0.08 -2.22 2.07 -1.04 -1.42 116.25 115.29 1y8m h VAL 120 Ca -0.10 -1.25 -0.19 0.00 0.82 0.00 0.00 66.70 65.99 1y8m h VAL 120 Cb 1.55 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1y8m h VAL 120 CO 0.18 0.34 -0.73 -0.08 0.02 0.00 0.00 177.57 177.30 1y8m h GLU 121 N -0.33 0.44 0.00 1.57 4.57 0.22 -2.23 114.58 118.81 1y8m h GLU 121 Ca 0.01 -0.36 -0.14 0.00 -1.18 0.00 0.00 59.36 57.69 1y8m h GLU 121 Cb 0.58 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1y8m h GLU 121 CO 0.01 0.99 -0.69 0.38 -1.18 0.00 0.00 179.01 178.52 1y8m h ASP 122 N 0.30 0.00 0.63 1.04 2.03 -0.94 -2.78 116.42 116.70 1y8m h ASP 122 Ca -0.03 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.08 1y8m h ASP 122 Cb 1.31 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.80 1y8m h ASP 122 CO 0.13 0.69 -0.86 0.50 -1.03 0.00 0.00 179.24 178.66 1y8m h LYS 123 N 0.00 0.15 0.00 4.15 3.64 -1.18 0.39 116.57 123.72 1y8m h LYS 123 Ca -0.01 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 1y8m h LYS 123 Cb 1.26 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1y8m h LYS 123 CO 0.09 0.92 -0.38 0.82 -2.27 0.00 0.00 179.45 178.63 1y8m h ILE 124 N 0.08 0.85 0.08 2.00 2.04 -1.36 -1.84 117.51 119.36 1y8m h ILE 124 Ca -0.04 -1.59 -0.25 0.00 1.00 0.00 0.00 64.86 63.98 1y8m h ILE 124 Cb 1.49 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1y8m h ILE 124 CO 0.13 0.37 -1.29 1.56 0.00 0.00 0.00 178.15 178.92 1y8m h GLN 125 N 0.00 0.17 0.00 2.37 1.08 -1.35 -3.37 115.11 114.01 1y8m h GLN 125 Ca -0.00 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1y8m h GLN 125 Cb 0.96 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1y8m h GLN 125 CO 0.05 1.14 0.00 -0.22 -0.95 0.00 0.00 178.83 178.85 1y8m h LYS 126 N -0.50 0.00 0.00 1.46 3.64 -0.24 -3.14 116.57 117.79 1y8m h LYS 126 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1y8m h LYS 126 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1y8m h LYS 126 CO -0.01 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.32 1y8m n GLU 127 N -3.09 0.11 -0.49 1.90 0.28 -0.69 -4.77 120.64 113.88 1y8m n GLU 127 Ca 0.02 0.22 -0.06 0.00 -0.16 0.00 0.00 57.16 57.18 1y8m n GLU 127 Cb 0.37 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.79 1y8m n GLU 127 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1y8m n THR 128 N -1.31 0.00 -3.74 3.84 -1.04 -1.19 -5.03 114.28 105.81 1y8m n THR 128 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1y8m n THR 128 Cb 0.07 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1y8m n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y8m n LEU 129 N 0.00 0.00 -4.76 -4.42 -0.00 -1.26 -5.11 117.00 101.45 1y8m n LEU 129 Ca 0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.67 1y8m n LEU 129 Cb 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.55 1y8m n LEU 129 CO 0.07 0.00 0.85 -0.75 -0.00 0.00 0.00 177.39 177.56 1y8m s LYS 130 N -1.21 3.16 -0.03 1.47 2.20 -1.26 -4.97 119.74 119.09 1y8m s LYS 130 Ca 0.00 1.83 -0.06 0.00 -0.36 0.00 0.00 55.97 57.38 1y8m s LYS 130 Cb 0.00 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1y8m s LYS 130 CO 0.00 -1.06 0.36 0.78 -0.36 0.00 0.00 175.35 175.07 1y8m h GLY 131 N 1.16 -0.22 -2.11 5.54 0.00 -2.06 -3.45 103.07 101.93 1y8m h GLY 131 Ca -0.50 0.08 -0.56 0.00 0.00 0.00 0.00 47.33 46.35 1y8m h GLY 131 CO 0.56 -0.08 0.38 -0.62 0.00 0.00 0.00 176.54 176.79 1y8m n VAL 132 N -3.72 4.12 -2.09 4.60 0.31 -1.26 -4.94 118.33 115.35 1y8m n VAL 132 Ca -0.03 -0.44 -0.35 0.00 -0.01 0.00 0.00 64.34 63.52 1y8m n VAL 132 Cb 0.08 -1.36 0.02 0.00 -0.91 0.00 0.00 33.84 31.68 1y8m n VAL 132 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1y8m s VAL 133 N -1.57 3.03 0.24 2.52 0.11 -1.26 -4.97 120.40 118.50 1y8m s VAL 133 Ca 0.79 0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 60.15 1y8m s VAL 133 Cb -0.37 -3.21 -0.09 0.00 -1.53 0.00 0.00 36.38 31.19 1y8m s VAL 133 CO 0.44 -0.17 1.15 0.54 -3.33 0.00 0.00 175.10 173.73 1y8m s VAL 134 N -1.84 3.50 -0.45 2.04 0.11 -1.26 -5.00 120.40 117.50 1y8m s VAL 134 Ca 0.73 1.39 -0.12 0.00 -2.93 0.00 0.00 61.98 61.04 1y8m s VAL 134 Cb -0.25 -3.88 0.08 0.00 -1.53 0.00 0.00 36.38 30.80 1y8m s VAL 134 CO 0.31 0.28 0.34 0.00 -3.33 0.00 0.00 175.10 172.70 1y8m s ALA 135 N -0.63 3.44 0.33 1.54 0.00 -1.26 -4.94 121.76 120.23 1y8m s ALA 135 Ca 0.48 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1y8m s ALA 135 Cb -0.32 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1y8m s ALA 135 CO 0.40 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.84 1y8m n GLY 136 N 5.06 -3.80 0.00 0.00 0.00 -1.26 -5.09 105.19 100.10 1y8m n GLY 136 Ca -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.42 -0.47 3.58 -0.02 0.00 -1.26 -5.03 105.19 100.57 1y8m n GLY 137 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1y8m n GLY 137 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y8m s VAL 138 N 0.00 3.43 0.33 1.61 -7.23 -1.26 -4.92 120.40 112.36 1y8m s VAL 138 Ca 0.00 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 59.31 1y8m s VAL 138 Cb 0.00 -4.41 -0.09 0.00 0.56 0.00 0.00 36.38 32.44 1y8m s VAL 138 CO 0.00 -0.78 0.75 -1.38 -0.31 0.00 0.00 175.10 173.38 1y8m s HIS 139 N 12.30 3.37 0.39 2.82 -3.43 -1.26 -5.07 115.29 124.42 1y8m s HIS 139 Ca 0.71 1.24 -0.14 0.00 -0.80 0.00 0.00 55.06 56.08 1y8m s HIS 139 Cb -0.02 -2.55 0.05 0.00 -1.43 0.00 0.00 32.58 28.63 1y8m s HIS 139 CO 0.14 0.07 0.76 -1.01 -2.00 0.00 0.00 174.74 172.69 1y8m s HIS 140 N -2.02 0.27 -0.18 0.38 3.76 -1.26 -5.16 115.29 111.08 1y8m s HIS 140 Ca 0.55 -0.91 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1y8m s HIS 140 Cb -0.10 0.74 0.08 0.00 1.11 0.00 0.00 32.58 34.41 1y8m s HIS 140 CO 0.18 -1.55 0.23 -1.01 -0.85 0.00 0.00 174.74 171.73 1y8m s HIS 141 N -2.26 -0.30 -0.24 1.40 3.76 -1.26 -5.03 115.29 111.36 1y8m s HIS 141 Ca 0.18 0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 55.43 1y8m s HIS 141 Cb -0.05 -0.29 -0.24 0.00 1.11 0.00 0.00 32.58 33.12 1y8m s HIS 141 CO 0.13 -0.53 3.53 -2.39 -0.85 0.00 0.00 174.74 174.63 1y8m n HIS 142 N 5.33 0.36 0.36 1.40 1.44 -1.26 -4.51 115.22 118.34 1y8m n HIS 142 Ca -0.05 -1.74 0.03 0.00 -2.01 0.00 0.00 57.72 53.95 1y8m n HIS 142 Cb 0.50 -1.73 0.18 0.00 0.12 0.00 0.00 29.99 29.05 1y8m n HIS 142 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1y8m n HIS 143 N 2.65 0.00 0.85 -1.40 1.44 -1.26 -5.40 115.22 112.09 1y8m n HIS 143 Ca 0.48 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.26 1y8m n HIS 143 Cb 0.82 -0.10 0.40 0.00 0.12 0.00 0.00 29.99 31.23 1y8m n HIS 143 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11