#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 3.38 -0.51 2.03 -4.23 -1.26 -4.88 115.64 110.17 1y8m s THR 2 Ca 0.00 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1y8m s THR 2 Cb 0.00 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1y8m s THR 2 CO 0.00 -0.33 0.73 1.17 -0.54 0.00 0.00 174.62 175.65 1y8m n LYS 3 N -1.94 0.98 -0.68 3.99 4.81 -1.26 -4.89 118.16 119.16 1y8m n LYS 3 Ca 0.10 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.23 1y8m n LYS 3 Cb 0.52 -1.25 0.17 0.00 0.02 0.00 0.00 35.03 34.48 1y8m n LYS 3 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1y8m n VAL 4 N 0.26 0.00 -0.75 3.15 3.14 -1.26 -4.91 118.33 117.95 1y8m n VAL 4 Ca 0.00 -0.08 -0.34 0.00 -2.96 0.00 0.00 64.34 60.97 1y8m n VAL 4 Cb 0.36 -0.92 0.14 0.00 -1.06 0.00 0.00 33.84 32.36 1y8m n VAL 4 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1y8m n ASP 5 N -3.74 -2.56 -3.85 6.55 2.03 -1.26 -5.02 116.55 108.71 1y8m n ASP 5 Ca 0.10 -0.05 -0.12 0.00 0.52 0.00 0.00 54.79 55.25 1y8m n ASP 5 Cb 0.53 -0.90 -0.10 0.00 -0.72 0.00 0.00 41.12 39.92 1y8m n ASP 5 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1y8m s PHE 6 N -2.21 -0.04 0.15 -0.67 5.36 -1.26 -5.15 117.98 114.17 1y8m s PHE 6 Ca 0.52 0.06 0.08 0.00 -0.96 0.00 0.00 56.93 56.63 1y8m s PHE 6 Cb -0.09 -0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.54 1y8m s PHE 6 CO 0.67 -0.25 -0.18 -1.58 -1.46 0.00 0.00 175.22 172.41 1y8m s TRP 7 N -1.03 1.79 -1.87 10.12 0.51 -1.26 -4.99 118.94 122.22 1y8m s TRP 7 Ca -0.11 -0.47 0.00 0.00 -2.12 0.00 0.00 56.10 53.40 1y8m s TRP 7 Cb -0.06 -0.91 0.00 0.00 -0.81 0.00 0.00 33.47 31.70 1y8m s TRP 7 CO 0.02 0.30 0.05 -0.35 -0.51 0.00 0.00 176.95 176.46 1y8m n PRO 8 N 0.41 0.00 -1.48 4.98 -0.04 -1.26 -4.90 135.00 132.71 1y8m n PRO 8 Ca -0.14 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.50 1y8m n PRO 8 Cb 0.57 -1.05 -0.08 0.00 -0.04 0.00 0.00 33.50 32.89 1y8m n PRO 8 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1y8m n THR 9 N -0.52 -0.36 0.19 0.52 -2.24 -1.26 -3.10 114.28 107.51 1y8m n THR 9 Ca 0.00 0.68 0.07 0.00 -2.27 0.00 0.00 64.05 62.53 1y8m n THR 9 Cb 0.00 -1.17 0.29 0.00 -2.10 0.00 0.00 70.33 67.35 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 -1.44 0.00 -1.38 3.22 5.85 -1.97 -3.14 115.31 116.47 1y8m h LEU 10 Ca -0.13 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1y8m h LEU 10 Cb 1.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1y8m h LEU 10 CO 0.06 0.33 -0.19 0.50 -0.34 0.00 0.00 178.44 178.81 1y8m h LYS 11 N 0.00 0.18 0.00 1.25 3.64 -2.00 -1.87 116.57 117.78 1y8m h LYS 11 Ca -0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1y8m h LYS 11 Cb 0.98 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1y8m h LYS 11 CO 0.04 0.37 -0.05 0.22 -2.27 0.00 0.00 179.45 177.77 1y8m h ASP 12 N 0.17 0.00 0.00 4.20 3.58 -1.48 -1.30 116.42 121.59 1y8m h ASP 12 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1y8m h ASP 12 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1y8m h ASP 12 CO 0.03 0.05 0.23 0.00 -2.88 0.00 0.00 179.24 176.67 1y8m h ALA 13 N 1.95 1.23 0.08 -0.78 0.00 -1.51 -0.76 119.26 119.47 1y8m h ALA 13 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1y8m h ALA 13 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1y8m h ALA 13 CO 0.01 -0.23 -1.08 1.88 0.00 0.00 0.00 179.25 179.83 1y8m h TYR 14 N 0.00 0.30 -0.41 0.00 -1.99 -1.42 -3.40 116.97 110.06 1y8m h TYR 14 Ca 0.00 -0.22 -0.68 0.00 2.00 0.00 0.00 58.73 59.83 1y8m h TYR 14 Cb 0.47 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.15 1y8m h TYR 14 CO 0.00 1.42 1.44 -1.91 -0.00 0.00 0.00 178.16 179.11 1y8m n GLU 15 N -4.16 0.38 0.00 4.88 0.00 -0.29 -4.90 120.64 116.55 1y8m n GLU 15 Ca -0.22 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.02 1y8m n GLU 15 Cb 0.78 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 30.34 1y8m n GLU 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1y8m n PRO 16 N 7.96 -0.20 -3.84 5.31 -0.05 -1.26 -4.86 135.00 138.06 1y8m n PRO 16 Ca 0.52 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.87 1y8m n PRO 16 Cb 0.08 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.45 1y8m n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1y8m s LEU 17 N 0.00 1.35 0.34 1.53 1.43 -1.26 -5.00 118.68 117.07 1y8m s LEU 17 Ca 0.00 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1y8m s LEU 17 Cb 0.00 0.99 -0.07 0.00 0.03 0.00 0.00 46.19 47.14 1y8m s LEU 17 CO 0.00 -0.60 0.69 -0.31 0.23 0.00 0.00 176.35 176.36 1y8m s TYR 18 N -2.83 3.44 0.49 0.29 2.02 -1.26 -4.96 117.35 114.53 1y8m s TYR 18 Ca -0.03 0.98 0.23 0.00 -0.37 0.00 0.00 57.07 57.89 1y8m s TYR 18 Cb 0.00 -2.37 1.41 0.00 -0.40 0.00 0.00 41.96 40.60 1y8m s TYR 18 CO -0.05 0.05 2.11 -1.00 -1.57 0.00 0.00 175.55 175.09 1y8m h PRO 19 N 1.77 0.00 -0.10 -1.71 0.13 -2.01 -2.40 132.00 127.67 1y8m h PRO 19 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1y8m h PRO 19 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1y8m h PRO 19 CO 0.65 0.09 -0.84 0.37 -0.23 0.00 0.00 178.00 178.05 1y8m h GLN 20 N 0.00 0.68 -0.28 0.86 -0.00 -2.00 -2.71 115.11 111.66 1y8m h GLN 20 Ca -0.00 -0.60 -0.16 0.00 -0.00 0.00 0.00 58.65 57.89 1y8m h GLN 20 Cb 0.20 0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.82 1y8m h GLN 20 CO 0.01 1.21 -0.43 0.37 0.00 0.00 0.00 178.83 179.99 1y8m h GLN 21 N 0.45 0.79 0.00 1.69 5.75 -1.86 -2.79 115.11 119.15 1y8m h GLN 21 Ca -0.07 -0.48 -0.03 0.00 -0.15 0.00 0.00 58.65 57.93 1y8m h GLN 21 Cb 1.46 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.05 1y8m h GLN 21 CO 0.16 1.11 -0.13 1.25 -2.65 0.00 0.00 178.83 178.57 1y8m h LEU 22 N 0.55 0.00 -0.51 -2.39 5.85 -1.48 -1.72 115.31 115.62 1y8m h LEU 22 Ca 0.03 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 1y8m h LEU 22 Cb 1.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1y8m h LEU 22 CO 0.10 0.13 -0.75 -0.08 -0.34 0.00 0.00 178.44 177.51 1y8m h GLU 23 N 0.00 0.00 -0.50 1.25 4.22 -1.22 -3.02 114.58 115.32 1y8m h GLU 23 Ca -0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1y8m h GLU 23 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1y8m h GLU 23 CO 0.02 0.75 0.15 0.82 -2.18 0.00 0.00 179.01 178.57 1y8m h ILE 24 N 0.00 1.23 -0.14 2.32 2.04 -1.09 0.31 117.51 122.17 1y8m h ILE 24 Ca -0.01 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1y8m h ILE 24 Cb 1.32 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1y8m h ILE 24 CO 0.10 0.28 -0.16 -0.07 0.00 0.00 0.00 178.15 178.30 1y8m h LEU 25 N 0.67 0.22 -0.05 1.44 3.38 -1.51 -1.17 115.31 118.29 1y8m h LEU 25 Ca 0.16 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.83 1y8m h LEU 25 Cb 0.28 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1y8m h LEU 25 CO -0.00 0.40 -1.07 -0.09 0.09 0.00 0.00 178.44 177.77 1y8m h ARG 26 N 0.21 0.38 -0.43 1.13 2.43 -1.28 -2.37 114.38 114.44 1y8m h ARG 26 Ca 0.04 -0.48 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1y8m h ARG 26 Cb 0.42 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1y8m h ARG 26 CO 0.03 1.17 0.18 0.37 -1.51 0.00 0.00 179.97 180.20 1y8m h GLN 27 N 0.18 0.64 -0.03 0.20 5.75 0.10 0.36 115.11 122.31 1y8m h GLN 27 Ca -0.11 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.18 1y8m h GLN 27 Cb 1.74 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 30.17 1y8m h GLN 27 CO 0.18 0.59 -0.45 0.37 -2.65 0.00 0.00 178.83 176.87 1y8m h GLN 28 N 0.55 0.07 0.02 1.69 4.15 -1.27 0.25 115.11 120.57 1y8m h GLN 28 Ca 0.14 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1y8m h GLN 28 Cb 0.18 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1y8m h GLN 28 CO -0.01 0.51 -0.01 0.28 -1.93 0.00 0.00 178.83 177.66 1y8m h VAL 29 N 0.06 1.49 -0.39 2.39 2.07 -0.94 -3.15 116.25 117.77 1y8m h VAL 29 Ca 0.00 -1.85 -0.06 0.00 0.82 0.00 0.00 66.70 65.61 1y8m h VAL 29 Cb 0.82 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1y8m h VAL 29 CO 0.06 0.46 0.02 0.58 0.02 0.00 0.00 177.57 178.70 1y8m h VAL 30 N -0.87 1.26 -0.73 2.57 2.07 -0.29 0.22 116.25 120.49 1y8m h VAL 30 Ca -0.00 -0.97 0.18 0.00 0.82 0.00 0.00 66.70 66.73 1y8m h VAL 30 Cb 0.77 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1y8m h VAL 30 CO 0.00 0.33 0.50 0.77 0.02 0.00 0.00 177.57 179.19 1y8m h SER 31 N 0.52 0.19 0.91 0.57 4.64 -0.61 0.67 113.55 120.44 1y8m h SER 31 Ca 0.11 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1y8m h SER 31 Cb 0.45 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1y8m h SER 31 CO 0.02 0.09 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.34 1y8m n GLU 32 N -4.41 0.01 0.00 4.77 1.02 -1.03 -4.85 120.64 116.15 1y8m n GLU 32 Ca 0.14 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1y8m n GLU 32 Cb 0.66 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 1.49 1.30 1.46 0.62 0.00 0.23 -4.47 105.19 105.83 1y8m n GLY 33 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1y8m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 34 N 0.00 1.08 0.37 -0.02 0.00 0.74 -4.33 105.19 103.04 1y8m n GLY 34 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.23 1y8m n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y8m h PRO 35 N 0.00 1.01 0.00 1.61 0.11 -1.95 0.12 132.00 132.90 1y8m h PRO 35 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1y8m h PRO 35 Cb 0.00 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.88 1y8m h PRO 35 CO 0.00 0.67 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 1y8m n THR 36 N -4.51 0.00 -1.48 -1.15 -2.24 -1.26 -4.80 114.28 98.83 1y8m n THR 36 Ca 0.15 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.61 1y8m n THR 36 Cb 0.23 -0.35 0.07 0.00 -2.10 0.00 0.00 70.33 68.19 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 2.33 0.99 6.98 0.00 0.40 -4.84 121.76 125.62 1y8m s ALA 37 Ca 0.09 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 1y8m s ALA 37 Cb 0.04 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.95 1y8m s ALA 37 CO 0.07 -1.57 0.54 0.25 0.00 0.00 0.00 175.76 175.05 1y8m n THR 38 N -3.00 0.00 -0.16 0.00 -2.24 -1.26 -4.76 114.28 102.86 1y8m n THR 38 Ca 0.10 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1y8m n THR 38 Cb 0.52 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.82 1.27 -0.09 2.28 2.04 -1.95 -2.50 117.51 116.75 1y8m h ILE 39 Ca -0.47 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.10 1y8m h ILE 39 Cb 1.30 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1y8m h ILE 39 CO 0.38 0.45 0.07 1.56 0.00 0.00 0.00 178.15 180.61 1y8m h GLN 40 N 0.77 0.00 -0.06 2.37 4.20 -1.99 0.33 115.11 120.74 1y8m h GLN 40 Ca 0.11 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.62 1y8m h GLN 40 Cb 0.74 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.53 1y8m h GLN 40 CO 0.06 0.00 -0.75 0.77 -0.67 0.00 0.00 178.83 178.24 1y8m h SER 41 N 0.00 0.75 -0.23 1.46 0.02 -1.79 -2.64 113.55 111.12 1y8m h SER 41 Ca 0.04 -0.70 -0.20 0.00 -0.84 0.00 0.00 61.79 60.09 1y8m h SER 41 Cb 0.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1y8m h SER 41 CO -0.00 1.34 -0.62 -0.09 -1.14 0.00 0.00 176.83 176.32 1y8m h ARG 42 N 0.23 0.84 -0.34 3.45 9.65 -0.98 -2.75 114.38 124.48 1y8m h ARG 42 Ca -0.08 -0.58 0.02 0.00 -1.10 0.00 0.00 59.98 58.24 1y8m h ARG 42 Cb 1.41 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 30.05 1y8m h ARG 42 CO 0.15 1.21 0.17 0.35 2.80 0.00 0.00 179.97 184.65 1y8m h PHE 43 N 0.62 0.32 -0.31 2.20 3.57 -0.44 -1.91 116.94 120.99 1y8m h PHE 43 Ca -0.01 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1y8m h PHE 43 Cb 1.24 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1y8m h PHE 43 CO 0.08 0.18 -0.08 -0.91 -2.23 0.00 0.00 178.31 175.35 1y8m h ASN 44 N 0.36 0.48 -0.66 0.41 4.21 -1.48 -2.11 115.58 116.79 1y8m h ASN 44 Ca 0.14 -0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.55 1y8m h ASN 44 Cb 0.04 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 1y8m h ASN 44 CO -0.09 0.61 0.43 0.22 -1.29 0.00 0.00 177.43 177.31 1y8m h TYR 45 N 0.48 0.80 -0.04 1.19 3.20 -1.05 -0.99 116.97 120.55 1y8m h TYR 45 Ca 0.09 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 1y8m h TYR 45 Cb 0.43 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1y8m h TYR 45 CO 0.01 0.49 -0.62 0.00 -1.64 0.00 0.00 178.16 176.41 1y8m h ALA 46 N 1.60 0.89 -0.05 1.82 0.00 -0.86 -3.07 119.26 119.59 1y8m h ALA 46 Ca 0.25 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1y8m h ALA 46 Cb -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y8m h ALA 46 CO -0.06 0.75 0.02 2.35 0.00 0.00 0.00 179.25 182.31 1y8m h TRP 47 N 0.11 0.07 -1.01 0.00 2.91 -0.84 -1.98 115.95 115.21 1y8m h TRP 47 Ca -0.01 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.05 1y8m h TRP 47 Cb 1.11 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.68 1y8m h TRP 47 CO 0.01 0.20 0.66 0.78 -1.03 0.00 0.00 178.44 179.06 1y8m h GLY 48 N -0.07 1.47 2.00 2.65 0.00 -1.49 -0.23 103.07 107.41 1y8m h GLY 48 Ca 0.02 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1y8m h GLY 48 CO -0.00 0.43 -0.15 1.41 0.00 0.00 0.00 176.54 178.23 1y8m h LEU 49 N 1.27 0.00 -0.43 3.11 3.38 -1.40 -2.29 115.31 118.95 1y8m h LEU 49 Ca 0.40 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.19 1y8m h LEU 49 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1y8m h LEU 49 CO -0.13 0.15 -0.72 0.40 0.09 0.00 0.00 178.44 178.23 1y8m h ILE 50 N 0.00 1.39 0.00 1.22 1.08 -0.28 -2.91 117.51 118.01 1y8m h ILE 50 Ca -0.00 -2.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.32 1y8m h ILE 50 Cb 0.35 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1y8m h ILE 50 CO 0.02 0.64 0.00 0.29 -0.69 0.00 0.00 178.15 178.41 1y8m n LYS 51 N -3.83 0.07 -1.02 2.37 5.02 -0.88 -4.83 118.16 115.05 1y8m n LYS 51 Ca -0.04 0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1y8m n LYS 51 Cb 0.70 -1.60 0.14 0.00 -0.02 0.00 0.00 35.03 34.25 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 -3.42 3.42 -0.00 4.39 0.01 -1.09 -4.44 113.70 112.58 1y8m s SER 52 Ca 0.11 2.34 0.02 0.00 1.31 0.00 0.00 55.95 59.74 1y8m s SER 52 Cb 0.15 -2.59 -0.25 0.00 0.21 0.00 0.00 66.02 63.54 1y8m s SER 52 CO 0.47 -2.78 0.83 0.71 0.41 0.00 0.00 173.24 172.88 1y8m h THR 53 N -1.11 1.11 -4.09 1.44 1.35 -1.88 -3.46 112.91 106.27 1y8m h THR 53 Ca -0.46 -2.83 -0.48 0.00 -0.55 0.00 0.00 66.41 62.10 1y8m h THR 53 Cb 1.29 2.66 0.04 0.00 -1.73 0.00 0.00 68.15 70.41 1y8m h THR 53 CO 0.45 0.76 0.40 -1.81 -0.25 0.00 0.00 175.52 175.06 1y8m s ASP 54 N -6.70 6.14 0.32 5.36 1.01 -1.26 -4.93 116.67 116.60 1y8m s ASP 54 Ca -0.07 1.98 0.24 0.00 0.71 0.00 0.00 52.55 55.41 1y8m s ASP 54 Cb 0.08 -2.56 0.52 0.00 1.01 0.00 0.00 42.92 41.96 1y8m s ASP 54 CO 0.83 -0.92 1.64 1.62 0.21 0.00 0.00 175.17 178.55 1y8m h VAL 55 N 1.36 0.00 -0.94 -1.27 3.04 -1.97 -3.24 116.25 113.23 1y8m h VAL 55 Ca -0.49 -0.76 0.01 0.00 -1.01 0.00 0.00 66.70 64.44 1y8m h VAL 55 Cb 1.23 1.72 -0.05 0.00 -2.01 0.00 0.00 31.29 32.19 1y8m h VAL 55 CO 0.58 0.00 0.62 0.78 -1.01 0.00 0.00 177.57 178.55 1y8m h ASN 56 N 0.00 1.08 0.44 3.17 2.35 -1.97 -1.13 115.58 119.51 1y8m h ASN 56 Ca 0.00 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 1y8m h ASN 56 Cb 0.88 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1y8m h ASN 56 CO 0.00 0.78 -0.71 0.44 -1.65 0.00 0.00 177.43 176.28 1y8m h ASP 57 N 1.27 0.28 -0.42 5.81 5.19 -1.84 -2.96 116.42 123.75 1y8m h ASP 57 Ca 0.35 -0.18 -0.11 0.00 -0.62 0.00 0.00 57.03 56.46 1y8m h ASP 57 Cb -0.13 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 1y8m h ASP 57 CO -0.08 0.90 -0.16 -0.33 -3.12 0.00 0.00 179.24 176.45 1y8m h GLU 58 N 0.16 0.90 0.00 3.56 3.07 -1.40 -0.93 114.58 119.94 1y8m h GLU 58 Ca -0.02 -0.34 -0.07 0.00 -0.50 0.00 0.00 59.36 58.42 1y8m h GLU 58 Cb 1.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1y8m h GLU 58 CO 0.11 0.99 -0.33 0.00 -1.40 0.00 0.00 179.01 178.38 1y8m h ARG 59 N 0.80 0.00 0.03 2.33 3.08 -1.21 -1.18 114.38 118.23 1y8m h ARG 59 Ca 0.12 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 1y8m h ARG 59 Cb 0.70 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.76 1y8m h ARG 59 CO 0.05 0.33 -0.63 1.25 -1.07 0.00 0.00 179.97 179.91 1y8m h LEU 60 N 0.00 0.50 -0.73 3.04 5.85 -1.28 -2.67 115.31 120.02 1y8m h LEU 60 Ca -0.00 -0.80 -0.03 0.00 0.84 0.00 0.00 57.88 57.89 1y8m h LEU 60 Cb 0.66 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1y8m h LEU 60 CO 0.04 1.25 0.35 1.23 -0.34 0.00 0.00 178.44 180.97 1y8m h GLY 61 N -0.19 1.13 0.95 3.75 0.00 -0.99 -1.31 103.07 106.42 1y8m h GLY 61 Ca -0.09 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1y8m h GLY 61 CO 0.12 0.53 0.14 -2.08 0.00 0.00 0.00 176.54 175.25 1y8m h VAL 62 N 1.03 1.12 -0.68 4.60 2.07 -1.28 0.24 116.25 123.35 1y8m h VAL 62 Ca 0.25 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1y8m h VAL 62 Cb 0.12 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1y8m h VAL 62 CO -0.03 0.11 0.45 0.50 0.02 0.00 0.00 177.57 178.62 1y8m h LYS 63 N 0.29 0.84 -0.05 1.57 3.64 -1.12 0.12 116.57 121.87 1y8m h LYS 63 Ca 0.09 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1y8m h LYS 63 Cb 0.06 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1y8m h LYS 63 CO -0.01 0.56 -0.15 0.82 -2.27 0.00 0.00 179.45 178.40 1y8m h ILE 64 N 0.87 1.45 -0.05 2.00 2.04 -0.62 -0.94 117.51 122.27 1y8m h ILE 64 Ca 0.26 -1.55 0.01 0.00 1.00 0.00 0.00 64.86 64.59 1y8m h ILE 64 Cb -0.02 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1y8m h ILE 64 CO -0.07 0.43 0.04 -0.07 0.00 0.00 0.00 178.15 178.48 1y8m h LEU 65 N -0.35 0.00 0.00 1.44 3.38 -0.06 0.17 115.31 119.89 1y8m h LEU 65 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1y8m h LEU 65 Cb 0.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1y8m h LEU 65 CO 0.03 0.00 -0.91 0.74 0.09 0.00 0.00 178.44 178.39 1y8m h THR 66 N 0.00 1.09 0.00 0.22 2.02 -0.65 -2.33 112.91 113.26 1y8m h THR 66 Ca 0.02 -2.62 -0.05 0.00 0.77 0.00 0.00 66.41 64.53 1y8m h THR 66 Cb 0.09 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1y8m h THR 66 CO -0.00 0.62 -0.21 -0.78 0.37 0.00 0.00 175.52 175.52 1y8m h ASP 67 N 0.00 0.18 0.29 4.18 3.58 0.44 -2.81 116.42 122.28 1y8m h ASP 67 Ca -0.05 -0.79 -0.04 0.00 0.42 0.00 0.00 57.03 56.57 1y8m h ASP 67 Cb 1.60 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.58 1y8m h ASP 67 CO 0.08 0.94 -0.18 0.40 -2.88 0.00 0.00 179.24 177.61 1y8m h ILE 68 N -0.56 0.89 -0.40 2.25 2.04 -0.86 -1.84 117.51 119.02 1y8m h ILE 68 Ca -0.03 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 1y8m h ILE 68 Cb 0.98 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1y8m h ILE 68 CO 0.04 0.17 -0.14 0.22 0.00 0.00 0.00 178.15 178.44 1y8m h TYR 69 N 0.00 0.82 0.00 1.37 5.03 -1.37 0.30 116.97 123.13 1y8m h TYR 69 Ca -0.00 -0.16 -0.19 0.00 2.58 0.00 0.00 58.73 60.96 1y8m h TYR 69 Cb 0.37 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 1y8m h TYR 69 CO 0.00 0.84 -0.86 0.87 -1.32 0.00 0.00 178.16 177.69 1y8m h LYS 70 N 0.67 0.13 0.00 1.82 1.57 -1.07 -3.35 116.57 116.34 1y8m h LYS 70 Ca 0.11 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1y8m h LYS 70 Cb 0.62 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1y8m h LYS 70 CO 0.04 0.91 -2.13 -0.85 -0.57 0.00 0.00 179.45 176.85 1y8m n GLU 71 N -3.63 0.69 -3.52 3.15 0.28 -1.06 -4.71 120.64 111.84 1y8m n GLU 71 Ca -0.03 -0.12 -0.40 0.00 -0.16 0.00 0.00 57.16 56.46 1y8m n GLU 71 Cb 0.80 -1.51 -0.04 0.00 1.43 0.00 0.00 31.44 32.12 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1y8m s ALA 72 N -3.08 4.37 0.00 -1.84 0.00 0.11 -4.99 121.76 116.33 1y8m s ALA 72 Ca -0.09 -3.78 0.00 0.00 0.00 0.00 0.00 51.96 48.09 1y8m s ALA 72 Cb 0.11 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1y8m s ALA 72 CO 0.86 -2.17 0.00 -0.85 0.00 0.00 0.00 175.76 173.60 1y8m n GLU 73 N 2.61 0.00 -0.08 0.00 0.00 -1.26 -2.80 120.64 119.11 1y8m n GLU 73 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.43 1y8m n GLU 73 Cb 0.38 -0.34 0.11 0.00 0.00 0.00 0.00 31.44 31.60 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 0.00 0.04 -0.36 -1.84 2.88 -1.26 0.30 113.62 113.38 1y8m n SER 74 Ca 0.00 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1y8m n SER 74 Cb 0.00 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 -3.78 0.59 0.05 -1.46 5.12 -1.12 -3.33 116.66 112.72 1y8m n ARG 75 Ca 0.08 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.91 1y8m n ARG 75 Cb 0.26 -1.21 0.05 0.00 -1.16 0.00 0.00 32.46 30.39 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 0.30 0.40 -0.32 5.56 3.08 0.46 -3.03 114.38 120.83 1y8m h ARG 76 Ca 0.00 -0.31 0.07 0.00 0.07 0.00 0.00 59.98 59.81 1y8m h ARG 76 Cb 0.21 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 1y8m h ARG 76 CO 0.00 0.94 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.62 1y8m h ARG 77 N 0.28 -0.07 -0.18 0.04 2.43 -1.79 0.56 114.38 115.66 1y8m h ARG 77 Ca -0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1y8m h ARG 77 Cb 1.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1y8m h ARG 77 CO 0.12 -0.04 -0.29 0.93 -1.51 0.00 0.00 179.97 179.17 1y8m h GLU 78 N -0.07 0.34 -0.13 0.20 5.08 -1.84 -2.98 114.58 115.18 1y8m h GLU 78 Ca 0.16 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1y8m h GLU 78 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1y8m h GLU 78 CO -0.37 0.61 -0.35 0.00 -1.00 0.00 0.00 179.01 177.89 1y8m h LEU 80 N 0.05 0.10 -0.14 0.00 3.38 0.12 0.90 115.31 119.73 1y8m h LEU 80 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1y8m h LEU 80 Cb 0.96 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1y8m h LEU 80 CO 0.08 0.08 -0.08 0.22 0.09 0.00 0.00 178.44 178.83 1y8m h TYR 81 N 0.30 0.35 -0.17 1.13 3.20 -1.55 -2.64 116.97 117.60 1y8m h TYR 81 Ca 0.24 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1y8m h TYR 81 Cb 0.28 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1y8m h TYR 81 CO -0.19 0.65 -0.11 1.88 -1.64 0.00 0.00 178.16 178.75 1y8m h TYR 82 N -0.04 0.28 -0.48 -3.82 -1.99 -0.68 -2.44 116.97 107.80 1y8m h TYR 82 Ca 0.03 -0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1y8m h TYR 82 Cb 0.56 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1y8m h TYR 82 CO 0.07 0.38 -0.19 -0.07 -0.00 0.00 0.00 178.16 178.36 1y8m h LEU 83 N 0.25 0.97 -0.71 3.88 3.38 0.93 0.15 115.31 124.16 1y8m h LEU 83 Ca 0.05 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1y8m h LEU 83 Cb 0.37 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1y8m h LEU 83 CO 0.02 1.13 0.46 0.74 0.09 0.00 0.00 178.44 180.88 1y8m h THR 84 N 0.83 1.14 0.06 0.22 2.02 -1.07 0.58 112.91 116.68 1y8m h THR 84 Ca 0.12 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1y8m h THR 84 Cb 0.75 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1y8m h THR 84 CO 0.06 0.17 -0.03 0.40 0.37 0.00 0.00 175.52 176.49 1y8m h ILE 85 N 0.91 1.27 -0.13 3.11 2.04 -1.22 -0.08 117.51 123.41 1y8m h ILE 85 Ca 0.27 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1y8m h ILE 85 Cb -0.04 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1y8m h ILE 85 CO -0.08 0.30 0.05 1.23 0.00 0.00 0.00 178.15 179.65 1y8m h GLY 86 N -0.64 0.19 1.37 5.37 0.00 -0.54 -2.24 103.07 106.57 1y8m h GLY 86 Ca -0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 47.33 46.96 1y8m h GLY 86 CO 0.01 0.08 -1.22 0.00 0.00 0.00 0.00 176.54 175.41 1y8m h TYR 88 N 0.22 0.06 0.00 0.00 5.03 -0.38 0.30 116.97 122.20 1y8m h TYR 88 Ca -0.17 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.14 1y8m h TYR 88 Cb 1.90 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 40.16 1y8m h TYR 88 CO 0.10 0.03 -0.02 0.87 -1.32 0.00 0.00 178.16 177.82 1y8m h LYS 89 N 0.05 0.00 -0.53 1.82 1.57 -1.56 -2.70 116.57 115.22 1y8m h LYS 89 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1y8m h LYS 89 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1y8m h LYS 89 CO -0.01 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1y8m n LEU 90 N -3.11 4.82 -1.50 2.94 4.77 0.10 -4.92 117.00 120.10 1y8m n LEU 90 Ca 0.02 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1y8m n LEU 90 Cb 0.41 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1y8m n LEU 90 CO 0.30 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1y8m n GLY 91 N 0.60 -0.20 1.90 -0.72 0.00 -0.92 -4.65 105.19 101.20 1y8m n GLY 91 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1y8m n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y8m n GLU 92 N -1.47 1.71 0.12 1.61 1.02 -1.20 -4.62 120.64 117.81 1y8m n GLU 92 Ca 0.00 -1.02 0.02 0.00 -0.02 0.00 0.00 57.16 56.14 1y8m n GLU 92 Cb 0.20 -1.63 0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1y8m n GLU 92 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1y8m n TYR 93 N 1.49 0.11 -0.07 -0.32 4.01 -1.26 0.07 117.16 121.20 1y8m n TYR 93 Ca 0.28 0.06 -0.06 0.00 -0.16 0.00 0.00 57.90 58.02 1y8m n TYR 93 Cb 0.66 -0.20 0.13 0.00 -0.31 0.00 0.00 39.34 39.62 1y8m n TYR 93 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1y8m h SER 94 N 0.00 0.71 0.04 7.72 4.64 -1.97 -0.31 113.55 124.37 1y8m h SER 94 Ca 0.00 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 60.97 1y8m h SER 94 Cb 1.07 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1y8m h SER 94 CO 0.00 0.90 -0.48 0.24 -0.87 0.00 0.00 176.83 176.62 1y8m h MET 95 N 0.62 0.26 -0.46 4.77 2.86 -0.77 -2.96 114.93 119.26 1y8m h MET 95 Ca 0.09 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1y8m h MET 95 Cb 0.67 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1y8m h MET 95 CO 0.05 1.07 0.27 0.00 1.06 0.00 0.00 176.91 179.36 1y8m h ALA 96 N 0.20 0.58 -0.42 6.32 0.00 -1.54 -1.77 119.26 122.63 1y8m h ALA 96 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1y8m h ALA 96 Cb 1.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1y8m h ALA 96 CO 0.09 -0.04 0.27 -0.22 0.00 0.00 0.00 179.25 179.36 1y8m h LYS 97 N 0.55 0.54 -0.46 0.00 3.11 -1.14 -0.43 116.57 118.74 1y8m h LYS 97 Ca 0.18 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.94 1y8m h LYS 97 Cb 0.02 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.11 1y8m h LYS 97 CO -0.09 0.36 0.07 -0.09 -2.81 0.00 0.00 179.45 176.90 1y8m h ARG 98 N 0.56 0.76 0.07 1.90 2.43 -1.30 -2.65 114.38 116.15 1y8m h ARG 98 Ca 0.16 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1y8m h ARG 98 Cb -0.06 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1y8m h ARG 98 CO -0.04 0.78 -0.03 1.88 -1.51 0.00 0.00 179.97 181.04 1y8m h TYR 99 N 0.62 -0.08 -0.79 2.20 0.05 -1.16 -3.06 116.97 114.75 1y8m h TYR 99 Ca 0.14 -0.00 0.21 0.00 0.05 0.00 0.00 58.73 59.12 1y8m h TYR 99 Cb 0.39 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 1y8m h TYR 99 CO 0.03 0.43 0.55 -0.24 -1.05 0.00 0.00 178.16 177.88 1y8m h VAL 100 N -0.66 0.66 0.16 -2.88 3.04 -1.14 -0.91 116.25 114.52 1y8m h VAL 100 Ca -0.01 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 1y8m h VAL 100 Cb 0.55 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1y8m h VAL 100 CO 0.02 0.03 -0.08 0.44 -1.01 0.00 0.00 177.57 176.97 1y8m h ASP 101 N 0.15 -0.18 -0.30 3.17 3.32 -1.38 0.14 116.42 121.33 1y8m h ASP 101 Ca 0.39 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.34 1y8m h ASP 101 Cb 1.29 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 1y8m h ASP 101 CO -0.06 0.01 0.13 0.74 -1.72 0.00 0.00 179.24 178.34 1y8m h THR 102 N -0.38 0.95 -0.50 0.35 2.02 -1.09 0.11 112.91 114.38 1y8m h THR 102 Ca -0.02 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1y8m h THR 102 Cb 0.29 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1y8m h THR 102 CO 0.04 0.05 0.21 0.25 0.37 0.00 0.00 175.52 176.44 1y8m h LEU 103 N 0.28 0.68 -1.30 2.58 5.85 -1.32 -2.40 115.31 119.67 1y8m h LEU 103 Ca 0.13 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1y8m h LEU 103 Cb 0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1y8m h LEU 103 CO -0.11 0.65 -0.33 0.15 -0.34 0.00 0.00 178.44 178.45 1y8m h PHE 104 N 0.66 0.00 -0.17 1.25 3.57 -0.30 -2.99 116.94 118.96 1y8m h PHE 104 Ca 0.17 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1y8m h PHE 104 Cb 0.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1y8m h PHE 104 CO 0.00 0.33 -0.02 1.49 -2.23 0.00 0.00 178.31 177.89 1y8m h GLU 105 N 0.00 0.30 0.00 1.11 4.81 -0.31 -2.70 114.58 117.79 1y8m h GLU 105 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1y8m h GLU 105 Cb 0.66 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1y8m h GLU 105 CO 0.04 0.54 0.39 0.72 -0.73 0.00 0.00 179.01 179.98 1y8m n HIS 106 N -4.71 0.11 -4.51 0.92 8.25 -0.99 -4.87 115.22 109.42 1y8m n HIS 106 Ca -0.05 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1y8m n HIS 106 Cb 0.24 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1y8m n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1y8m n GLU 107 N -1.48 0.00 -2.27 -0.41 2.13 -1.02 -4.85 120.64 112.74 1y8m n GLU 107 Ca -0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1y8m n GLU 107 Cb 0.40 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.10 1y8m n GLU 107 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1y8m n ARG 108 N 0.00 -2.21 -1.54 5.31 5.12 -1.26 -4.91 116.66 117.18 1y8m n ARG 108 Ca 0.00 0.49 -0.13 0.00 -1.93 0.00 0.00 57.85 56.28 1y8m n ARG 108 Cb 0.00 -5.01 0.07 0.00 -1.16 0.00 0.00 32.46 26.37 1y8m n ARG 108 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1y8m n ASN 109 N -1.49 0.60 -4.08 0.55 3.02 -1.26 -5.12 115.26 107.47 1y8m n ASN 109 Ca -0.11 -1.54 -0.08 0.00 -0.03 0.00 0.00 54.58 52.82 1y8m n ASN 109 Cb 0.55 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 1y8m n ASN 109 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1y8m s ASN 110 N -3.24 0.52 0.27 6.41 0.02 -1.26 -5.00 114.94 112.65 1y8m s ASN 110 Ca 0.36 -0.92 0.08 0.00 -1.02 0.00 0.00 52.86 51.36 1y8m s ASN 110 Cb -0.02 0.17 0.43 0.00 0.02 0.00 0.00 41.25 41.86 1y8m s ASN 110 CO 0.24 -0.54 1.08 2.29 0.02 0.00 0.00 177.10 180.19 1y8m n LYS 111 N 0.33 0.06 0.08 -0.60 -0.00 -1.26 0.36 118.16 117.14 1y8m n LYS 111 Ca -0.15 0.48 -0.05 0.00 -0.00 0.00 0.00 58.31 58.59 1y8m n LYS 111 Cb 0.60 -2.08 -0.04 0.00 -0.00 0.00 0.00 35.03 33.51 1y8m n LYS 111 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1y8m h GLN 112 N 0.00 0.00 0.01 -1.58 4.20 -1.99 -2.70 115.11 113.06 1y8m h GLN 112 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y8m h GLN 112 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1y8m h GLN 112 CO 0.00 0.87 -0.01 0.28 -0.67 0.00 0.00 178.83 179.31 1y8m h VAL 113 N 0.00 1.54 -0.72 -0.54 2.07 -0.49 -0.09 116.25 118.02 1y8m h VAL 113 Ca -0.01 -1.84 0.13 0.00 0.82 0.00 0.00 66.70 65.80 1y8m h VAL 113 Cb 1.59 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 34.06 1y8m h VAL 113 CO 0.11 0.46 0.48 1.23 0.02 0.00 0.00 177.57 179.87 1y8m h GLY 114 N -0.83 0.73 0.37 2.17 0.00 -1.62 0.17 103.07 104.05 1y8m h GLY 114 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1y8m h GLY 114 CO 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 176.54 176.40 1y8m h ALA 115 N 1.65 0.01 -0.52 3.60 0.00 -1.47 -2.59 119.26 119.95 1y8m h ALA 115 Ca 0.34 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1y8m h ALA 115 Cb 0.70 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1y8m h ALA 115 CO -0.11 0.08 0.25 1.25 0.00 0.00 0.00 179.25 180.72 1y8m h LEU 116 N -0.61 0.35 -2.05 0.00 5.85 -0.23 0.21 115.31 118.82 1y8m h LEU 116 Ca -0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1y8m h LEU 116 Cb 1.04 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1y8m h LEU 116 CO 0.05 0.24 0.11 0.50 -0.34 0.00 0.00 178.44 178.99 1y8m h LYS 117 N 0.48 0.00 0.00 1.25 3.64 -0.75 -0.67 116.57 120.53 1y8m h LYS 117 Ca 0.23 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1y8m h LYS 117 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1y8m h LYS 117 CO -0.17 0.00 -0.27 1.03 -2.27 0.00 0.00 179.45 177.76 1y8m h SER 118 N 0.00 0.00 -0.09 4.20 0.87 -0.16 0.10 113.55 118.47 1y8m h SER 118 Ca 0.07 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 1y8m h SER 118 Cb 0.29 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1y8m h SER 118 CO -0.00 0.27 -0.59 0.24 -0.53 0.00 0.00 176.83 176.22 1y8m h MET 119 N 0.00 0.55 0.11 2.24 2.86 -0.90 0.33 114.93 120.11 1y8m h MET 119 Ca -0.00 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1y8m h MET 119 Cb 0.53 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1y8m h MET 119 CO 0.04 1.10 -0.05 0.28 1.06 0.00 0.00 176.91 179.34 1y8m h VAL 120 N 0.15 1.02 -0.20 -2.22 2.07 -1.38 -1.16 116.25 114.53 1y8m h VAL 120 Ca -0.05 -0.48 -0.15 0.00 0.82 0.00 0.00 66.70 66.84 1y8m h VAL 120 Cb 1.24 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1y8m h VAL 120 CO 0.12 0.12 -0.51 -0.33 0.02 0.00 0.00 177.57 176.99 1y8m h GLU 121 N -0.36 0.56 -0.10 1.57 5.08 -0.87 -2.11 114.58 118.36 1y8m h GLU 121 Ca -0.01 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1y8m h GLU 121 Cb 0.30 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1y8m h GLU 121 CO 0.02 0.94 -0.22 0.22 -1.00 0.00 0.00 179.01 178.97 1y8m h ASP 122 N 0.44 0.16 0.76 1.42 1.82 -0.88 -0.96 116.42 119.18 1y8m h ASP 122 Ca 0.02 -0.04 -0.25 0.00 -0.39 0.00 0.00 57.03 56.37 1y8m h ASP 122 Cb 1.04 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 1y8m h ASP 122 CO 0.10 0.40 -1.13 0.11 -1.61 0.00 0.00 179.24 177.10 1y8m h LYS 123 N 0.15 0.17 0.00 0.28 1.79 -0.96 0.36 116.57 118.36 1y8m h LYS 123 Ca 0.03 -0.28 -0.13 0.00 -2.18 0.00 0.00 60.65 58.09 1y8m h LYS 123 Cb 0.49 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 1y8m h LYS 123 CO 0.03 1.13 -0.62 0.82 -1.08 0.00 0.00 179.45 179.73 1y8m h ILE 124 N 0.05 1.01 0.01 1.86 2.04 -1.15 -2.67 117.51 118.66 1y8m h ILE 124 Ca -0.08 -2.44 -0.17 0.00 1.00 0.00 0.00 64.86 63.17 1y8m h ILE 124 Cb 1.87 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 40.42 1y8m h ILE 124 CO 0.17 0.58 -0.90 1.56 0.00 0.00 0.00 178.15 179.56 1y8m h GLN 125 N 0.00 0.02 0.00 2.37 7.50 -1.23 -3.36 115.11 120.41 1y8m h GLN 125 Ca -0.01 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1y8m h GLN 125 Cb 1.46 0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.00 1y8m h GLN 125 CO 0.08 1.01 0.00 0.87 -1.50 0.00 0.00 178.83 179.29 1y8m h LYS 126 N -0.95 0.00 0.00 1.46 1.79 -1.04 -2.62 116.57 115.21 1y8m h LYS 126 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1y8m h LYS 126 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1y8m h LYS 126 CO -0.13 0.00 0.00 0.93 -1.08 0.00 0.00 179.45 179.17 1y8m h GLU 127 N 0.00 0.00 -2.19 3.15 4.39 -1.62 -3.30 114.58 115.01 1y8m h GLU 127 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1y8m h GLU 127 Cb 0.40 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1y8m h GLU 127 CO 0.00 0.00 -0.02 0.25 -1.16 0.00 0.00 179.01 178.08 1y8m n THR 128 N -2.43 1.49 -0.89 1.13 -2.24 -0.99 -4.18 114.28 106.18 1y8m n THR 128 Ca 0.04 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.08 1y8m n THR 128 Cb 0.38 -1.54 0.21 0.00 -2.10 0.00 0.00 70.33 67.27 1y8m n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y8m n LEU 129 N 2.18 6.02 0.00 3.22 -0.00 -1.25 -4.96 117.00 122.22 1y8m n LEU 129 Ca 0.12 -3.18 0.00 0.00 -0.00 0.00 0.00 56.01 52.96 1y8m n LEU 129 Cb 0.42 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 1y8m n LEU 129 CO 0.08 0.89 0.00 0.29 -0.00 0.00 0.00 177.39 178.65 1y8m n LYS 130 N -0.59 0.00 0.00 1.47 4.76 -1.26 -4.34 118.16 118.20 1y8m n LYS 130 Ca 0.46 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1y8m n LYS 130 Cb 1.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.62 1y8m n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y8m n GLY 131 N 0.00 1.99 3.67 0.72 0.00 -1.26 -5.10 105.19 105.20 1y8m n GLY 131 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 4.34 0.00 1.61 1.01 -1.26 -4.84 120.40 121.26 1y8m s VAL 132 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1y8m s VAL 132 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1y8m s VAL 132 CO 0.00 -0.11 0.00 0.52 0.00 0.00 0.00 175.10 175.51 1y8m n VAL 133 N 5.20 0.00 -1.68 2.92 0.31 -1.26 -5.04 118.33 118.78 1y8m n VAL 133 Ca 0.13 -0.07 -0.36 0.00 -0.01 0.00 0.00 64.34 64.03 1y8m n VAL 133 Cb 0.45 0.56 0.07 0.00 -0.91 0.00 0.00 33.84 34.02 1y8m n VAL 133 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1y8m s VAL 134 N -1.80 2.11 0.26 2.52 1.01 -1.26 -4.99 120.40 118.26 1y8m s VAL 134 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1y8m s VAL 134 Cb 0.00 -2.94 0.07 0.00 0.00 0.00 0.00 36.38 33.51 1y8m s VAL 134 CO 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 175.10 175.26 1y8m n ALA 135 N -2.09 -0.87 -2.44 5.51 0.00 -1.26 -5.05 120.51 114.32 1y8m n ALA 135 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1y8m n ALA 135 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.31 2.02 0.00 0.00 0.00 -1.26 -5.15 105.19 100.49 1y8m n GLY 136 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -0.15 3.20 -0.02 0.00 -1.26 -5.11 105.19 101.86 1y8m n GLY 137 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1y8m n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8m s VAL 138 N 0.00 1.32 -0.13 1.61 0.11 -1.26 -4.95 120.40 117.09 1y8m s VAL 138 Ca 0.00 -1.30 -0.04 0.00 -2.93 0.00 0.00 61.98 57.71 1y8m s VAL 138 Cb 0.00 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1y8m s VAL 138 CO 0.00 -0.10 0.09 1.41 -3.33 0.00 0.00 175.10 173.17 1y8m n HIS 139 N 1.40 -2.44 -1.97 1.54 8.25 -1.26 -4.97 115.22 115.77 1y8m n HIS 139 Ca -0.20 1.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.55 1y8m n HIS 139 Cb 0.54 -2.68 0.00 0.00 1.12 0.00 0.00 29.99 28.97 1y8m n HIS 139 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y8m n HIS 140 N 1.63 0.00 0.00 4.41 -0.00 -1.26 -5.00 115.22 114.99 1y8m n HIS 140 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 1y8m n HIS 140 Cb 0.31 0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 1y8m n HIS 140 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1y8m n HIS 141 N 0.00 0.00 -0.52 4.41 -0.00 -1.26 -4.95 115.22 112.89 1y8m n HIS 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1y8m n HIS 141 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 1y8m n HIS 141 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1y8m n HIS 142 N -0.39 0.00 -2.81 4.41 -0.00 -1.26 -5.05 115.22 110.12 1y8m n HIS 142 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1y8m n HIS 142 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 1y8m n HIS 142 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1y8m s HIS 143 N 0.00 -1.25 0.00 1.57 5.65 -1.26 -5.30 115.29 114.70 1y8m s HIS 143 Ca 0.00 -0.30 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1y8m s HIS 143 Cb 0.00 0.24 0.00 0.00 -1.18 0.00 0.00 32.58 31.64 1y8m s HIS 143 CO 0.00 -0.96 0.00 1.58 -0.65 0.00 0.00 174.74 174.71