#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8m h THR 2 N 0.00 0.77 -4.13 2.03 1.03 -2.13 -3.42 112.91 107.06 1y8m h THR 2 Ca 0.00 -0.02 -0.54 0.00 -0.01 0.00 0.00 66.41 65.84 1y8m h THR 2 Cb 0.00 1.01 0.14 0.00 -1.07 0.00 0.00 68.15 68.23 1y8m h THR 2 CO 0.00 0.01 0.45 -0.75 -0.01 0.00 0.00 175.52 175.21 1y8m s LYS 3 N -4.84 2.58 -0.47 0.00 2.47 -1.26 -4.93 119.74 113.29 1y8m s LYS 3 Ca -0.05 1.83 0.03 0.00 -1.56 0.00 0.00 55.97 56.22 1y8m s LYS 3 Cb 0.16 -1.88 0.46 0.00 -1.46 0.00 0.00 37.83 35.11 1y8m s LYS 3 CO 0.61 -1.51 1.61 1.33 0.16 0.00 0.00 175.35 177.55 1y8m n VAL 4 N -2.09 3.06 -2.37 4.02 0.24 -1.26 -4.94 118.33 114.99 1y8m n VAL 4 Ca 0.14 -3.54 -0.36 0.00 -2.04 0.00 0.00 64.34 58.54 1y8m n VAL 4 Cb 0.50 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 31.72 1y8m n VAL 4 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1y8m s ASP 5 N -2.70 6.02 -0.60 -1.34 1.47 -1.26 -4.91 116.67 113.34 1y8m s ASP 5 Ca 0.57 -1.35 -0.26 0.00 1.18 0.00 0.00 52.55 52.69 1y8m s ASP 5 Cb 0.46 -2.57 -0.05 0.00 -0.34 0.00 0.00 42.92 40.42 1y8m s ASP 5 CO 0.02 -1.96 2.14 -0.36 0.68 0.00 0.00 175.17 175.69 1y8m s PHE 6 N 6.90 1.38 0.59 2.11 0.08 -1.26 -4.62 117.98 123.16 1y8m s PHE 6 Ca 0.56 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.82 1y8m s PHE 6 Cb -0.02 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 1y8m s PHE 6 CO -0.03 -2.29 0.00 0.91 -0.10 0.00 0.00 175.22 173.71 1y8m n TRP 7 N 14.71 -4.43 -0.37 0.36 7.02 -1.26 -4.88 117.44 128.59 1y8m n TRP 7 Ca 0.31 2.39 -0.30 0.00 -1.02 0.00 0.00 57.50 58.88 1y8m n TRP 7 Cb 0.52 -3.65 0.28 0.00 -2.42 0.00 0.00 31.31 26.04 1y8m n TRP 7 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1y8m s PRO 8 N -4.94 -2.48 0.17 -0.99 0.04 -1.26 -5.06 135.00 120.48 1y8m s PRO 8 Ca 0.00 0.38 0.09 0.00 0.04 0.00 0.00 61.00 61.50 1y8m s PRO 8 Cb 0.00 -1.41 -0.04 0.00 0.04 0.00 0.00 34.50 33.09 1y8m s PRO 8 CO 0.00 -4.64 -0.19 0.95 0.04 0.00 0.00 177.00 173.17 1y8m s THR 9 N -2.27 1.86 0.48 1.26 -4.23 -1.26 -5.01 115.64 106.47 1y8m s THR 9 Ca 0.68 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 59.41 1y8m s THR 9 Cb -0.18 -1.88 0.23 0.00 1.34 0.00 0.00 72.50 72.02 1y8m s THR 9 CO 0.61 -0.31 2.07 0.25 -0.54 0.00 0.00 174.62 176.69 1y8m h LEU 10 N 3.21 0.00 -1.61 4.79 5.85 -1.97 -0.49 115.31 125.09 1y8m h LEU 10 Ca -0.42 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1y8m h LEU 10 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1y8m h LEU 10 CO 0.51 0.10 -0.08 0.50 -0.34 0.00 0.00 178.44 179.12 1y8m h LYS 11 N 0.00 0.14 -0.05 1.25 3.64 -2.02 -1.18 116.57 118.35 1y8m h LYS 11 Ca -0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1y8m h LYS 11 Cb 0.17 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1y8m h LYS 11 CO 0.01 0.24 0.15 0.38 -2.27 0.00 0.00 179.45 177.96 1y8m h ASP 12 N 0.14 0.00 0.18 4.20 2.03 -1.48 0.13 116.42 121.62 1y8m h ASP 12 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1y8m h ASP 12 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1y8m h ASP 12 CO 0.01 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 1y8m h ALA 13 N 1.73 1.00 -0.35 4.15 0.00 -1.33 -0.74 119.26 123.72 1y8m h ALA 13 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1y8m h ALA 13 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1y8m h ALA 13 CO -0.00 0.00 0.08 0.66 0.00 0.00 0.00 179.25 179.99 1y8m n TYR 14 N -2.61 1.20 -3.65 0.00 4.02 0.45 -4.73 117.16 111.83 1y8m n TYR 14 Ca -0.01 -0.57 -0.39 0.00 -0.01 0.00 0.00 57.90 56.92 1y8m n TYR 14 Cb 0.09 -0.38 -0.09 0.00 -0.02 0.00 0.00 39.34 38.94 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 -1.86 2.43 0.00 -0.72 2.02 -0.29 -4.95 118.70 115.33 1y8m s GLU 15 Ca 0.28 -2.05 0.00 0.00 0.02 0.00 0.00 54.97 53.22 1y8m s GLU 15 Cb 0.22 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1y8m s GLU 15 CO 0.08 -1.16 0.41 -2.30 0.02 0.00 0.00 175.26 172.30 1y8m n PRO 16 N 4.34 0.00 0.00 0.39 -0.02 -1.26 -4.84 135.00 133.60 1y8m n PRO 16 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y8m n PRO 16 Cb 0.41 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.90 0.00 -3.81 2.45 4.77 -1.26 -4.78 117.00 113.47 1y8m n LEU 17 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1y8m n LEU 17 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1y8m n LEU 17 CO 0.00 0.00 -0.06 -0.31 -1.33 0.00 0.00 177.39 175.69 1y8m s TYR 18 N 0.00 -0.02 0.64 -1.77 2.02 -1.26 -5.02 117.35 111.94 1y8m s TYR 18 Ca 0.00 -0.11 0.36 0.00 -0.37 0.00 0.00 57.07 56.95 1y8m s TYR 18 Cb 0.00 0.02 2.03 0.00 -0.40 0.00 0.00 41.96 43.61 1y8m s TYR 18 CO 0.00 -0.42 2.21 -1.00 -1.57 0.00 0.00 175.55 174.77 1y8m h PRO 19 N 3.57 0.00 0.05 -1.71 0.13 -2.00 -2.58 132.00 129.46 1y8m h PRO 19 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1y8m h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1y8m h PRO 19 CO 0.45 0.00 -0.03 1.96 -0.23 0.00 0.00 178.00 180.16 1y8m h GLN 20 N 0.00 -0.07 -0.89 0.86 4.20 -1.99 -2.51 115.11 114.70 1y8m h GLN 20 Ca 0.02 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.86 1y8m h GLN 20 Cb 0.24 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 1y8m h GLN 20 CO -0.00 0.52 0.58 1.96 -0.67 0.00 0.00 178.83 181.21 1y8m h GLN 21 N -0.90 0.75 -0.24 1.46 1.08 -1.88 0.32 115.11 115.69 1y8m h GLN 21 Ca -0.01 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.02 1y8m h GLN 21 Cb 0.62 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1y8m h GLN 21 CO 0.01 0.49 -0.39 1.25 -0.95 0.00 0.00 178.83 179.24 1y8m h LEU 22 N 0.77 0.58 -0.56 1.46 5.85 -1.54 -2.87 115.31 118.99 1y8m h LEU 22 Ca 0.44 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 1y8m h LEU 22 Cb 0.61 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1y8m h LEU 22 CO -0.20 0.91 -0.63 -0.08 -0.34 0.00 0.00 178.44 178.10 1y8m h GLU 23 N 0.45 0.34 -0.17 1.25 4.81 -0.53 -2.91 114.58 117.82 1y8m h GLU 23 Ca 0.04 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1y8m h GLU 23 Cb 0.89 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1y8m h GLU 23 CO 0.08 0.85 0.10 0.82 -0.73 0.00 0.00 179.01 180.13 1y8m h ILE 24 N 0.25 1.07 0.00 2.32 2.04 -1.00 0.57 117.51 122.76 1y8m h ILE 24 Ca -0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1y8m h ILE 24 Cb 1.15 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1y8m h ILE 24 CO 0.10 0.06 -0.03 -0.07 0.00 0.00 0.00 178.15 178.21 1y8m h LEU 25 N 0.20 0.00 -0.08 1.44 3.38 -1.47 -1.52 115.31 117.27 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 40.78 1y8m h LEU 25 CO -0.01 0.03 -0.94 -0.09 0.09 0.00 0.00 178.44 177.52 1y8m h ARG 26 N 0.00 0.72 -0.62 1.13 2.43 -1.06 -2.62 114.38 114.35 1y8m h ARG 26 Ca -0.00 -0.69 0.04 0.00 -0.81 0.00 0.00 59.98 58.52 1y8m h ARG 26 Cb 0.06 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 1y8m h ARG 26 CO 0.00 1.28 0.36 1.96 -1.51 0.00 0.00 179.97 182.07 1y8m h GLN 27 N 0.44 0.67 -0.07 0.20 4.20 0.07 0.47 115.11 121.09 1y8m h GLN 27 Ca -0.10 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1y8m h GLN 27 Cb 1.58 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 1y8m h GLN 27 CO 0.19 0.44 -0.22 0.37 -0.67 0.00 0.00 178.83 178.94 1y8m h GLN 28 N 0.69 0.11 0.02 1.46 4.15 -1.39 0.76 115.11 120.91 1y8m h GLN 28 Ca 0.27 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1y8m h GLN 28 Cb 0.10 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1y8m h GLN 28 CO -0.14 0.33 -0.01 0.28 -1.93 0.00 0.00 178.83 177.36 1y8m h VAL 29 N 0.10 1.47 -0.45 2.39 2.07 -0.67 -2.92 116.25 118.25 1y8m h VAL 29 Ca 0.02 -1.86 -0.14 0.00 0.82 0.00 0.00 66.70 65.54 1y8m h VAL 29 Cb 0.45 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1y8m h VAL 29 CO 0.03 0.45 -0.26 0.58 0.02 0.00 0.00 177.57 178.39 1y8m h VAL 30 N -0.88 1.27 -0.39 2.57 2.07 -0.03 1.02 116.25 121.88 1y8m h VAL 30 Ca -0.00 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1y8m h VAL 30 Cb 0.76 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1y8m h VAL 30 CO 0.00 0.49 0.15 0.28 0.02 0.00 0.00 177.57 178.51 1y8m h SER 31 N 0.81 0.50 0.36 0.57 0.02 0.42 -0.94 113.55 115.28 1y8m h SER 31 Ca 0.09 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1y8m h SER 31 Cb 0.85 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1y8m h SER 31 CO 0.07 0.46 -0.03 -0.62 -1.14 0.00 0.00 176.83 175.57 1y8m n GLU 32 N -4.38 0.67 0.00 3.45 -0.58 -1.10 -4.84 120.64 113.86 1y8m n GLU 32 Ca 0.03 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1y8m n GLU 32 Cb 0.15 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.21 1.48 7.00 0.62 0.00 -0.36 -4.36 105.19 110.78 1y8m n GLY 33 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.67 2.33 0.36 -0.02 0.00 0.35 -3.61 105.19 103.93 1y8m n GLY 34 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.32 -0.35 1.61 0.10 -1.94 0.14 132.00 131.89 1y8m h PRO 35 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 66.08 1y8m h PRO 35 Cb 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 31.00 31.03 1y8m h PRO 35 CO 0.00 0.21 0.00 0.25 0.10 0.00 0.00 178.00 178.56 1y8m n THR 36 N -4.46 0.00 -1.67 -1.15 -2.24 -1.24 -4.28 114.28 99.25 1y8m n THR 36 Ca 0.10 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.49 1y8m n THR 36 Cb 0.41 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 1y8m n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y8m n ALA 37 N -0.23 7.10 -0.44 6.98 0.00 0.48 -4.78 120.51 129.61 1y8m n ALA 37 Ca 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1y8m n ALA 37 Cb 0.09 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.56 1y8m n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1y8m n THR 38 N 2.46 0.00 0.07 0.00 -2.24 -1.26 -3.29 114.28 110.02 1y8m n THR 38 Ca 0.68 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.39 1y8m n THR 38 Cb 0.27 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.87 1.65 0.00 2.28 2.04 -1.93 -3.27 117.51 117.42 1y8m h ILE 39 Ca 0.00 -3.20 -0.02 0.00 1.00 0.00 0.00 64.86 62.64 1y8m h ILE 39 Cb 0.99 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.83 1y8m h ILE 39 CO 0.00 0.92 -0.11 -0.61 0.00 0.00 0.00 178.15 178.34 1y8m h GLN 40 N 0.02 0.00 -0.02 2.37 4.15 -2.00 -1.09 115.11 118.54 1y8m h GLN 40 Ca -0.03 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1y8m h GLN 40 Cb 1.71 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.40 1y8m h GLN 40 CO 0.13 0.11 -0.19 0.77 -1.93 0.00 0.00 178.83 177.72 1y8m h SER 41 N 0.00 0.20 -0.85 -0.69 0.02 -1.59 -2.97 113.55 107.66 1y8m h SER 41 Ca -0.00 -0.72 -0.02 0.00 -0.84 0.00 0.00 61.79 60.21 1y8m h SER 41 Cb 0.20 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1y8m h SER 41 CO 0.01 0.89 0.45 0.03 -1.14 0.00 0.00 176.83 177.08 1y8m h ARG 42 N -0.48 1.19 -0.22 3.45 3.08 -1.61 -0.08 114.38 119.71 1y8m h ARG 42 Ca -0.02 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 59.94 1y8m h ARG 42 Cb 0.91 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 1y8m h ARG 42 CO 0.04 0.88 -0.13 0.35 -1.07 0.00 0.00 179.97 180.04 1y8m h PHE 43 N 1.19 -0.33 -0.33 3.04 3.04 -1.23 0.42 116.94 122.74 1y8m h PHE 43 Ca 0.30 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 62.10 1y8m h PHE 43 Cb 0.05 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1y8m h PHE 43 CO 0.01 -0.20 -0.47 -0.91 -2.02 0.00 0.00 178.31 174.71 1y8m h ASN 44 N -0.12 0.98 -0.65 0.41 -0.26 -1.32 -2.72 115.58 111.90 1y8m h ASN 44 Ca 0.12 -0.49 0.06 0.00 -0.56 0.00 0.00 56.30 55.43 1y8m h ASN 44 Cb 0.31 -0.28 -0.05 0.00 -1.06 0.00 0.00 38.32 37.23 1y8m h ASN 44 CO -0.29 1.29 0.36 0.22 -1.06 0.00 0.00 177.43 177.94 1y8m h TYR 45 N 0.71 0.66 -0.16 1.19 3.20 -0.48 -0.34 116.97 121.74 1y8m h TYR 45 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1y8m h TYR 45 Cb 1.08 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1y8m h TYR 45 CO 0.07 0.31 -0.15 0.00 -1.64 0.00 0.00 178.16 176.75 1y8m h ALA 46 N 1.34 1.44 -0.27 1.82 0.00 -0.86 -2.84 119.26 119.90 1y8m h ALA 46 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1y8m h ALA 46 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1y8m h ALA 46 CO -0.18 0.39 0.13 2.35 0.00 0.00 0.00 179.25 181.94 1y8m h TRP 47 N 0.25 0.38 -1.01 0.00 2.91 -0.75 -2.01 115.95 115.71 1y8m h TRP 47 Ca 0.05 -0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.11 1y8m h TRP 47 Cb 0.43 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 28.89 1y8m h TRP 47 CO 0.01 0.35 0.66 0.78 -1.03 0.00 0.00 178.44 179.20 1y8m h GLY 48 N 0.30 1.51 2.00 2.65 0.00 -1.21 -0.59 103.07 107.73 1y8m h GLY 48 Ca 0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1y8m h GLY 48 CO -0.01 0.37 -0.33 1.41 0.00 0.00 0.00 176.54 177.99 1y8m h LEU 49 N 1.22 0.00 -1.04 3.11 3.38 -1.37 -2.34 115.31 118.27 1y8m h LEU 49 Ca 0.42 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1y8m h LEU 49 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1y8m h LEU 49 CO -0.16 0.33 -0.33 0.40 0.09 0.00 0.00 178.44 178.77 1y8m h ILE 50 N 0.00 1.28 0.00 1.22 1.08 -0.38 -1.92 117.51 118.78 1y8m h ILE 50 Ca -0.00 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1y8m h ILE 50 Cb 0.58 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1y8m h ILE 50 CO 0.04 0.40 0.00 0.29 -0.69 0.00 0.00 178.15 178.19 1y8m n LYS 51 N -4.09 0.09 -1.41 2.37 4.76 -0.89 -4.82 118.16 114.17 1y8m n LYS 51 Ca -0.01 0.20 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 1y8m n LYS 51 Cb 0.42 -1.63 0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1y8m n LYS 51 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1y8m s SER 52 N -3.54 4.06 -0.03 4.39 1.04 -0.74 -4.37 113.70 114.51 1y8m s SER 52 Ca 0.09 2.49 0.09 0.00 0.48 0.00 0.00 55.95 59.10 1y8m s SER 52 Cb 0.13 -2.60 -0.23 0.00 0.10 0.00 0.00 66.02 63.41 1y8m s SER 52 CO 0.44 -2.36 0.71 0.71 0.98 0.00 0.00 173.24 173.71 1y8m h THR 53 N -0.23 0.93 -4.13 2.02 1.35 -1.87 -3.45 112.91 107.52 1y8m h THR 53 Ca -0.48 -2.74 -0.48 0.00 -0.55 0.00 0.00 66.41 62.15 1y8m h THR 53 Cb 1.32 2.49 0.05 0.00 -1.73 0.00 0.00 68.15 70.28 1y8m h THR 53 CO 0.49 0.60 0.39 -0.62 -0.25 0.00 0.00 175.52 176.13 1y8m s ASP 54 N -6.32 6.01 0.37 5.36 -1.08 -1.26 -4.93 116.67 114.82 1y8m s ASP 54 Ca -0.06 1.90 0.25 0.00 -0.52 0.00 0.00 52.55 54.12 1y8m s ASP 54 Cb 0.08 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.65 1y8m s ASP 54 CO 0.82 -1.01 1.72 1.62 0.52 0.00 0.00 175.17 178.83 1y8m h VAL 55 N 0.99 0.00 -0.06 1.11 3.04 -1.99 -3.29 116.25 116.05 1y8m h VAL 55 Ca -0.48 -0.72 -0.02 0.00 -1.01 0.00 0.00 66.70 64.46 1y8m h VAL 55 Cb 1.22 1.70 -0.00 0.00 -2.01 0.00 0.00 31.29 32.20 1y8m h VAL 55 CO 0.58 0.00 -0.06 -1.13 -1.01 0.00 0.00 177.57 175.95 1y8m h ASN 56 N 0.00 0.16 0.13 3.17 -0.73 -1.98 -1.96 115.58 114.37 1y8m h ASN 56 Ca 0.00 -0.47 -0.01 0.00 1.87 0.00 0.00 56.30 57.69 1y8m h ASN 56 Cb 0.81 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.36 1y8m h ASN 56 CO 0.00 0.60 -0.06 0.44 -0.37 0.00 0.00 177.43 178.04 1y8m h ASP 57 N -0.27 -0.14 -0.19 1.15 3.32 -1.87 -2.88 116.42 115.54 1y8m h ASP 57 Ca 0.01 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1y8m h ASP 57 Cb 0.55 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1y8m h ASP 57 CO 0.01 0.10 -0.02 1.05 -1.72 0.00 0.00 179.24 178.66 1y8m h GLU 58 N -0.39 0.48 0.00 3.56 4.11 -1.57 -1.44 114.58 119.33 1y8m h GLU 58 Ca -0.02 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1y8m h GLU 58 Cb 0.32 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1y8m h GLU 58 CO 0.03 0.52 -0.06 -0.09 0.07 0.00 0.00 179.01 179.48 1y8m h ARG 59 N 0.46 0.00 0.04 1.06 2.43 -1.25 -0.95 114.38 116.17 1y8m h ARG 59 Ca 0.10 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.02 1y8m h ARG 59 Cb 0.34 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1y8m h ARG 59 CO 0.01 0.06 -1.05 1.25 -1.51 0.00 0.00 179.97 178.74 1y8m h LEU 60 N 0.00 0.63 -0.73 3.80 5.85 -1.05 -3.14 115.31 120.66 1y8m h LEU 60 Ca -0.00 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 1y8m h LEU 60 Cb 0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1y8m h LEU 60 CO 0.01 1.35 -0.07 1.23 -0.34 0.00 0.00 178.44 180.63 1y8m h GLY 61 N 1.01 0.98 0.82 3.75 0.00 -0.87 -2.52 103.07 106.22 1y8m h GLY 61 Ca -0.11 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.50 1y8m h GLY 61 CO 0.19 0.67 -0.07 -2.08 0.00 0.00 0.00 176.54 175.24 1y8m h VAL 62 N 0.82 0.81 -0.31 4.60 2.07 -1.24 0.21 116.25 123.21 1y8m h VAL 62 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1y8m h VAL 62 Cb 0.58 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1y8m h VAL 62 CO 0.04 0.00 0.03 0.50 0.02 0.00 0.00 177.57 178.16 1y8m h LYS 63 N -0.13 0.13 -0.32 1.57 3.64 -1.48 -0.31 116.57 119.66 1y8m h LYS 63 Ca 0.03 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1y8m h LYS 63 Cb 0.16 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1y8m h LYS 63 CO -0.07 0.08 0.18 0.82 -2.27 0.00 0.00 179.45 178.19 1y8m h ILE 64 N 0.13 1.02 -0.30 2.00 2.04 -1.00 0.12 117.51 121.51 1y8m h ILE 64 Ca 0.15 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1y8m h ILE 64 Cb 0.18 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1y8m h ILE 64 CO -0.22 0.07 0.21 -0.07 0.00 0.00 0.00 178.15 178.13 1y8m h LEU 65 N 0.37 0.16 0.00 1.44 3.38 0.17 0.14 115.31 120.97 1y8m h LEU 65 Ca 0.13 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1y8m h LEU 65 Cb 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1y8m h LEU 65 CO -0.07 0.11 -0.78 0.74 0.09 0.00 0.00 178.44 178.53 1y8m h THR 66 N 0.18 0.88 -0.02 0.22 2.02 0.06 -2.04 112.91 114.20 1y8m h THR 66 Ca 0.13 -2.31 -0.07 0.00 0.77 0.00 0.00 66.41 64.93 1y8m h THR 66 Cb 0.30 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1y8m h THR 66 CO -0.02 0.50 -0.27 -0.78 0.37 0.00 0.00 175.52 175.31 1y8m h ASP 67 N 0.00 0.28 -0.69 4.18 1.82 0.11 -1.50 116.42 120.61 1y8m h ASP 67 Ca -0.04 -0.72 -0.05 0.00 -0.39 0.00 0.00 57.03 55.83 1y8m h ASP 67 Cb 1.48 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 41.38 1y8m h ASP 67 CO 0.07 0.96 0.25 0.40 -1.61 0.00 0.00 179.24 179.31 1y8m h ILE 68 N -0.37 1.25 -0.03 2.25 2.04 -0.90 1.18 117.51 122.93 1y8m h ILE 68 Ca -0.03 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1y8m h ILE 68 Cb 0.98 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1y8m h ILE 68 CO 0.06 0.32 -0.04 0.22 0.00 0.00 0.00 178.15 178.70 1y8m h TYR 69 N 1.00 -0.10 0.00 1.37 5.03 -1.37 -1.37 116.97 121.52 1y8m h TYR 69 Ca 0.23 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.46 1y8m h TYR 69 Cb 0.25 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 1y8m h TYR 69 CO 0.02 -0.07 -0.40 -0.22 -1.32 0.00 0.00 178.16 176.17 1y8m h LYS 70 N -0.06 0.00 -1.41 1.82 3.64 -0.91 -3.18 116.57 116.47 1y8m h LYS 70 Ca 0.03 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.71 1y8m h LYS 70 Cb 0.10 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 31.61 1y8m h LYS 70 CO -0.07 0.40 0.63 -1.91 -2.27 0.00 0.00 179.45 176.23 1y8m n GLU 71 N -3.47 2.88 -2.82 1.90 4.07 0.40 -4.79 120.64 118.81 1y8m n GLU 71 Ca 0.00 -3.58 0.01 0.00 -0.06 0.00 0.00 57.16 53.53 1y8m n GLU 71 Cb 0.55 -2.28 0.01 0.00 -0.06 0.00 0.00 31.44 29.66 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y8m s ALA 72 N -3.88 -4.08 -0.44 4.31 0.00 -0.59 -4.81 121.76 112.27 1y8m s ALA 72 Ca 0.57 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 53.47 1y8m s ALA 72 Cb 0.46 -2.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 1y8m s ALA 72 CO -0.18 -2.45 1.90 0.39 0.00 0.00 0.00 175.76 175.41 1y8m n GLU 73 N 3.61 1.36 0.00 0.00 -0.58 -1.26 -3.96 120.64 119.81 1y8m n GLU 73 Ca 0.08 -0.93 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1y8m n GLU 73 Cb 0.62 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1y8m n GLU 73 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1y8m n SER 74 N 3.72 0.00 0.00 1.62 2.88 -1.26 -4.90 113.62 115.67 1y8m n SER 74 Ca 0.29 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1y8m n SER 74 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.87 0.00 -0.29 -1.46 1.74 -1.26 -2.97 116.66 111.55 1y8m n ARG 75 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1y8m n ARG 75 Cb 0.00 -1.40 0.23 0.00 -1.02 0.00 0.00 32.46 30.27 1y8m n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y8m h ARG 76 N 0.00 0.50 -0.20 5.56 3.08 -1.88 0.27 114.38 121.70 1y8m h ARG 76 Ca 0.00 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.07 1y8m h ARG 76 Cb 0.00 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 1y8m h ARG 76 CO 0.00 0.33 -0.11 0.00 -1.07 0.00 0.00 179.97 179.12 1y8m h ARG 77 N 0.52 -0.10 -0.12 0.04 -0.00 -1.92 1.03 114.38 113.84 1y8m h ARG 77 Ca 0.47 0.01 -0.14 0.00 -0.50 0.00 0.00 59.98 59.82 1y8m h ARG 77 Cb 0.73 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.71 1y8m h ARG 77 CO -0.41 -0.06 -0.52 1.49 0.00 0.00 0.00 179.97 180.47 1y8m h GLU 78 N -0.10 0.33 -0.13 0.04 4.81 -1.55 -2.93 114.58 115.05 1y8m h GLU 78 Ca 0.11 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1y8m h GLU 78 Cb 0.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1y8m h GLU 78 CO -0.26 0.77 -0.51 0.00 -0.73 0.00 0.00 179.01 178.28 1y8m h LEU 80 N 0.27 1.11 -0.29 0.00 3.38 0.12 -1.06 115.31 118.85 1y8m h LEU 80 Ca 0.01 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1y8m h LEU 80 Cb 0.99 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1y8m h LEU 80 CO 0.08 0.94 -0.15 0.22 0.09 0.00 0.00 178.44 179.62 1y8m h TYR 81 N 1.21 0.72 -0.31 1.13 3.20 -1.42 -2.96 116.97 118.54 1y8m h TYR 81 Ca 0.29 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1y8m h TYR 81 Cb 0.12 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1y8m h TYR 81 CO 0.02 0.86 0.12 1.88 -1.64 0.00 0.00 178.16 179.40 1y8m h TYR 82 N 0.37 0.43 -0.65 -3.82 -1.99 -1.06 -1.90 116.97 108.35 1y8m h TYR 82 Ca 0.06 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 1y8m h TYR 82 Cb 0.68 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 39.24 1y8m h TYR 82 CO 0.06 0.34 0.11 -0.07 -0.00 0.00 0.00 178.16 178.61 1y8m h LEU 83 N 0.44 1.02 -1.00 3.88 3.38 -1.04 0.11 115.31 122.09 1y8m h LEU 83 Ca 0.11 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1y8m h LEU 83 Cb 0.09 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 1y8m h LEU 83 CO -0.01 1.01 0.64 0.74 0.09 0.00 0.00 178.44 180.91 1y8m h THR 84 N 1.00 1.06 0.02 0.22 2.02 -1.22 1.31 112.91 117.32 1y8m h THR 84 Ca 0.20 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1y8m h THR 84 Cb 0.42 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1y8m h THR 84 CO 0.01 0.21 -0.01 0.40 0.37 0.00 0.00 175.52 176.50 1y8m h ILE 85 N 1.14 1.36 -0.22 3.11 1.08 -1.21 0.11 117.51 122.89 1y8m h ILE 85 Ca 0.44 -1.25 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 1y8m h ILE 85 Cb 0.22 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 36.15 1y8m h ILE 85 CO -0.19 0.32 0.03 1.23 -0.69 0.00 0.00 178.15 178.85 1y8m h GLY 86 N -0.58 0.33 0.81 5.37 0.00 -0.23 -2.52 103.07 106.24 1y8m h GLY 86 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 1y8m h GLY 86 CO 0.01 0.15 -0.64 0.00 0.00 0.00 0.00 176.54 176.06 1y8m h TYR 88 N -0.08 0.31 0.00 0.00 3.20 -0.36 0.19 116.97 120.24 1y8m h TYR 88 Ca -0.08 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.71 1y8m h TYR 88 Cb 1.35 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1y8m h TYR 88 CO 0.14 0.13 -0.45 0.87 -1.64 0.00 0.00 178.16 177.22 1y8m h LYS 89 N 0.28 0.00 -0.41 1.82 1.79 -1.47 -2.80 116.57 115.78 1y8m h LYS 89 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1y8m h LYS 89 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1y8m h LYS 89 CO -0.07 0.45 0.00 1.28 -1.08 0.00 0.00 179.45 180.03 1y8m n LEU 90 N -3.45 4.78 -2.31 2.94 4.77 0.34 -4.93 117.00 119.13 1y8m n LEU 90 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1y8m n LEU 90 Cb 0.59 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1y8m n LEU 90 CO 0.38 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1y8m n GLY 91 N 0.02 -0.44 1.78 -0.72 0.00 0.41 -4.70 105.19 101.55 1y8m n GLY 91 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.31 1.55 0.23 1.61 4.71 -0.68 -4.53 120.64 121.21 1y8m n GLU 92 Ca 0.00 -0.57 0.07 0.00 -0.01 0.00 0.00 57.16 56.66 1y8m n GLU 92 Cb 0.44 -1.55 0.39 0.00 -1.01 0.00 0.00 31.44 29.71 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 2.08 0.00 -0.33 -0.32 0.05 -1.84 0.12 116.97 116.73 1y8m h TYR 93 Ca 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 1y8m h TYR 93 Cb 1.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 1y8m h TYR 93 CO 1.07 0.00 0.05 0.66 -1.05 0.00 0.00 178.16 178.90 1y8m h SER 94 N 0.00 0.53 0.14 3.88 4.64 -1.97 -0.21 113.55 120.57 1y8m h SER 94 Ca 0.00 -0.26 -0.24 0.00 -0.47 0.00 0.00 61.79 60.82 1y8m h SER 94 Cb 0.89 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1y8m h SER 94 CO 0.00 0.66 -0.95 0.24 -0.87 0.00 0.00 176.83 175.90 1y8m h MET 95 N 0.39 0.57 -0.61 4.77 2.86 -1.16 -3.08 114.93 118.66 1y8m h MET 95 Ca 0.10 -0.59 0.03 0.00 -2.06 0.00 0.00 59.70 57.18 1y8m h MET 95 Cb 0.35 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 1y8m h MET 95 CO 0.01 1.21 0.38 0.00 1.06 0.00 0.00 176.91 179.56 1y8m h ALA 96 N 0.60 0.79 -0.24 6.32 0.00 -1.32 -1.61 119.26 123.79 1y8m h ALA 96 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1y8m h ALA 96 Cb 1.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1y8m h ALA 96 CO 0.18 0.12 0.11 -0.22 0.00 0.00 0.00 179.25 179.44 1y8m h LYS 97 N 0.74 0.36 -0.23 0.00 3.64 -1.04 -0.44 116.57 119.60 1y8m h LYS 97 Ca 0.24 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1y8m h LYS 97 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1y8m h LYS 97 CO -0.10 0.38 -0.43 0.07 -2.27 0.00 0.00 179.45 177.10 1y8m h ARG 98 N 0.25 0.56 0.12 1.90 0.11 -1.43 -1.79 114.38 114.10 1y8m h ARG 98 Ca 0.08 -0.30 -0.01 0.00 0.10 0.00 0.00 59.98 59.86 1y8m h ARG 98 Cb 0.14 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1y8m h ARG 98 CO -0.01 0.89 -0.06 1.88 0.10 0.00 0.00 179.97 182.77 1y8m h TYR 99 N 0.46 -0.15 -0.46 4.08 0.05 -1.21 -2.46 116.97 117.27 1y8m h TYR 99 Ca 0.03 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.89 1y8m h TYR 99 Cb 0.94 0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 1y8m h TYR 99 CO 0.04 0.34 0.32 -0.24 -1.05 0.00 0.00 178.16 177.56 1y8m h VAL 100 N -0.80 0.91 -0.06 -2.88 3.04 -1.14 -1.47 116.25 113.85 1y8m h VAL 100 Ca -0.02 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1y8m h VAL 100 Cb 0.55 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1y8m h VAL 100 CO 0.03 0.05 0.02 -0.78 -1.01 0.00 0.00 177.57 175.87 1y8m h ASP 101 N 0.28 0.10 -0.32 3.17 3.58 -1.27 -0.37 116.42 121.58 1y8m h ASP 101 Ca 0.21 -0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.50 1y8m h ASP 101 Cb 0.47 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 1y8m h ASP 101 CO -0.04 0.30 -0.07 0.74 -2.88 0.00 0.00 179.24 177.29 1y8m h THR 102 N -0.11 0.69 -0.81 2.25 2.02 -0.79 0.35 112.91 116.52 1y8m h THR 102 Ca 0.02 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1y8m h THR 102 Cb 0.24 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1y8m h THR 102 CO 0.00 0.00 0.38 0.25 0.37 0.00 0.00 175.52 176.52 1y8m h LEU 103 N 0.02 1.06 -0.68 2.58 5.85 -1.33 -2.47 115.31 120.34 1y8m h LEU 103 Ca 0.15 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1y8m h LEU 103 Cb 0.23 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1y8m h LEU 103 CO -0.32 0.91 -0.41 0.15 -0.34 0.00 0.00 178.44 178.43 1y8m h PHE 104 N 1.16 0.65 -0.71 1.25 3.57 0.13 -2.90 116.94 120.08 1y8m h PHE 104 Ca 0.28 -0.19 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1y8m h PHE 104 Cb 0.13 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1y8m h PHE 104 CO 0.02 0.87 0.42 0.93 -2.23 0.00 0.00 178.31 178.31 1y8m h GLU 105 N 0.45 0.77 0.00 1.11 5.08 0.11 -2.56 114.58 119.53 1y8m h GLU 105 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1y8m h GLU 105 Cb 0.90 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1y8m h GLU 105 CO 0.08 0.51 0.00 1.58 -1.00 0.00 0.00 179.01 180.18 1y8m n HIS 106 N -4.72 0.00 -5.00 4.33 -0.00 -1.05 -4.86 115.22 103.92 1y8m n HIS 106 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1y8m n HIS 106 Cb 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 1y8m n HIS 106 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1y8m n GLU 107 N 0.15 0.00 -0.67 1.57 1.02 -0.97 -5.00 120.64 116.75 1y8m n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y8m n GLU 107 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1y8m n GLU 107 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1y8m n ARG 108 N 9.97 -1.88 -3.28 3.49 0.00 -1.26 -4.84 116.66 118.86 1y8m n ARG 108 Ca 0.00 1.37 -0.39 0.00 -0.00 0.00 0.00 57.85 58.83 1y8m n ARG 108 Cb 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 30.89 1y8m n ARG 108 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1y8m s ASN 109 N -1.65 7.06 -0.34 6.15 0.02 -1.26 -5.01 114.94 119.92 1y8m s ASN 109 Ca 0.00 1.25 -0.08 0.00 -1.02 0.00 0.00 52.86 53.02 1y8m s ASN 109 Cb 0.00 -2.36 0.21 0.00 0.02 0.00 0.00 41.25 39.12 1y8m s ASN 109 CO 0.00 0.28 1.09 0.54 0.02 0.00 0.00 177.10 179.03 1y8m s ASN 110 N -1.11 -0.27 0.21 -1.22 2.20 -1.26 -5.00 114.94 108.48 1y8m s ASN 110 Ca 0.29 -0.28 0.07 0.00 -0.94 0.00 0.00 52.86 51.99 1y8m s ASN 110 Cb -0.19 0.36 0.36 0.00 -2.00 0.00 0.00 41.25 39.78 1y8m s ASN 110 CO 0.19 -0.01 1.02 0.29 -2.94 0.00 0.00 177.10 175.65 1y8m n LYS 111 N 2.84 0.05 0.10 3.55 5.02 -1.26 0.12 118.16 128.58 1y8m n LYS 111 Ca 0.10 0.44 -0.04 0.00 -2.02 0.00 0.00 58.31 56.79 1y8m n LYS 111 Cb 0.65 -2.00 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1y8m n LYS 111 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1y8m h GLN 112 N 0.00 0.00 0.01 1.97 4.15 -1.98 -2.24 115.11 117.01 1y8m h GLN 112 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1y8m h GLN 112 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1y8m h GLN 112 CO 0.00 0.81 -0.13 0.28 -1.93 0.00 0.00 178.83 177.85 1y8m h VAL 113 N 0.00 1.63 -0.65 2.39 2.07 -0.73 0.11 116.25 121.06 1y8m h VAL 113 Ca -0.01 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 65.53 1y8m h VAL 113 Cb 1.45 2.98 -0.04 0.00 -1.52 0.00 0.00 31.29 34.16 1y8m h VAL 113 CO 0.10 0.54 0.43 1.23 0.02 0.00 0.00 177.57 179.90 1y8m h GLY 114 N -0.71 0.85 0.31 2.17 0.00 -1.61 0.31 103.07 104.39 1y8m h GLY 114 Ca -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1y8m h GLY 114 CO 0.03 0.22 -0.16 0.00 0.00 0.00 0.00 176.54 176.63 1y8m h ALA 115 N 1.64 0.01 -0.50 3.60 0.00 -1.41 -1.97 119.26 120.62 1y8m h ALA 115 Ca 0.27 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1y8m h ALA 115 Cb 0.19 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1y8m h ALA 115 CO -0.08 0.03 0.23 1.25 0.00 0.00 0.00 179.25 180.68 1y8m h LEU 116 N -0.67 0.32 -1.85 0.00 5.85 -0.33 0.15 115.31 118.78 1y8m h LEU 116 Ca -0.02 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1y8m h LEU 116 Cb 0.98 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1y8m h LEU 116 CO 0.03 0.22 0.02 0.50 -0.34 0.00 0.00 178.44 178.87 1y8m h LYS 117 N 0.46 0.11 -0.22 1.25 3.64 -0.45 -1.66 116.57 119.70 1y8m h LYS 117 Ca 0.23 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1y8m h LYS 117 Cb 0.16 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1y8m h LYS 117 CO -0.18 0.11 0.13 0.66 -2.27 0.00 0.00 179.45 177.90 1y8m h SER 118 N 0.11 0.25 -0.10 4.20 4.64 0.11 0.35 113.55 123.11 1y8m h SER 118 Ca 0.03 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 1y8m h SER 118 Cb 0.05 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1y8m h SER 118 CO -0.00 0.20 -0.83 0.24 -0.87 0.00 0.00 176.83 175.57 1y8m h MET 119 N 0.30 0.77 -0.01 4.77 2.86 -1.12 0.43 114.93 122.93 1y8m h MET 119 Ca 0.08 -0.66 -0.00 0.00 -2.06 0.00 0.00 59.70 57.06 1y8m h MET 119 Cb -0.01 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1y8m h MET 119 CO -0.01 1.26 0.00 0.28 1.06 0.00 0.00 176.91 179.50 1y8m h VAL 120 N 0.51 1.23 -0.16 -2.22 2.07 -1.24 0.60 116.25 117.03 1y8m h VAL 120 Ca -0.07 -0.68 -0.16 0.00 0.82 0.00 0.00 66.70 66.61 1y8m h VAL 120 Cb 1.46 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1y8m h VAL 120 CO 0.17 0.18 -0.55 -0.08 0.02 0.00 0.00 177.57 177.30 1y8m h GLU 121 N -0.26 0.49 -0.26 1.57 4.81 -0.38 -1.48 114.58 119.07 1y8m h GLU 121 Ca 0.00 -0.31 -0.18 0.00 -0.13 0.00 0.00 59.36 58.74 1y8m h GLU 121 Cb 0.29 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1y8m h GLU 121 CO 0.00 0.91 -0.56 -0.44 -0.73 0.00 0.00 179.01 178.20 1y8m h ASP 122 N 0.38 0.88 0.31 1.04 3.32 -0.86 -1.75 116.42 119.73 1y8m h ASP 122 Ca 0.01 -0.48 -0.16 0.00 0.02 0.00 0.00 57.03 56.42 1y8m h ASP 122 Cb 1.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1y8m h ASP 122 CO 0.10 1.25 -0.63 0.50 -1.72 0.00 0.00 179.24 178.75 1y8m h LYS 123 N 0.60 0.31 0.00 3.56 1.63 -0.83 -2.69 116.57 119.15 1y8m h LYS 123 Ca 0.01 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.56 1y8m h LYS 123 Cb 1.15 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1y8m h LYS 123 CO 0.12 0.84 -0.16 0.82 -3.45 0.00 0.00 179.45 177.62 1y8m h ILE 124 N 0.22 0.32 -0.34 2.00 2.04 -1.20 -2.95 117.51 117.60 1y8m h ILE 124 Ca -0.01 -1.15 -0.10 0.00 1.00 0.00 0.00 64.86 64.60 1y8m h ILE 124 Cb 1.15 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 1y8m h ILE 124 CO 0.10 0.15 -0.20 1.56 0.00 0.00 0.00 178.15 179.77 1y8m h GLN 125 N 0.00 0.64 -0.25 2.37 4.20 -0.97 -2.50 115.11 118.59 1y8m h GLN 125 Ca -0.00 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 1y8m h GLN 125 Cb 0.89 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1y8m h GLN 125 CO 0.02 0.79 -0.15 0.87 -0.67 0.00 0.00 178.83 179.69 1y8m h LYS 126 N 0.57 0.55 -0.23 1.46 1.57 -1.45 -2.17 116.57 116.86 1y8m h LYS 126 Ca 0.09 -0.25 0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1y8m h LYS 126 Cb 0.65 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1y8m h LYS 126 CO 0.05 0.82 0.49 0.93 -0.57 0.00 0.00 179.45 181.16 1y8m h GLU 127 N 0.27 0.00 0.00 3.15 5.08 -1.37 -3.44 114.58 118.26 1y8m h GLU 127 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1y8m h GLU 127 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1y8m h GLU 127 CO 0.04 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.46 1y8m n THR 128 N -3.20 0.00 0.10 1.13 -1.04 -0.82 -3.01 114.28 107.45 1y8m n THR 128 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1y8m n THR 128 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1y8m n THR 128 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1y8m n LEU 129 N 0.00 0.27 -4.75 -4.42 0.00 -1.26 -4.94 117.00 101.90 1y8m n LEU 129 Ca 0.00 0.34 -0.37 0.00 0.00 0.00 0.00 56.01 55.98 1y8m n LEU 129 Cb 0.00 0.13 0.04 0.00 0.00 0.00 0.00 43.42 43.59 1y8m n LEU 129 CO 0.00 -0.75 0.90 -1.59 0.00 0.00 0.00 177.39 175.96 1y8m s LYS 130 N -2.00 3.03 0.00 1.96 -2.85 -1.16 -4.99 119.74 113.72 1y8m s LYS 130 Ca 0.00 2.02 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 1y8m s LYS 130 Cb 0.00 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1y8m s LYS 130 CO 0.00 -1.21 0.00 0.41 0.10 0.00 0.00 175.35 174.65 1y8m n GLY 131 N 0.67 2.01 2.00 0.59 0.00 -1.26 -4.74 105.19 104.45 1y8m n GLY 131 Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1y8m n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y8m n VAL 132 N 0.00 -8.19 -3.72 1.61 0.31 -1.26 -5.00 118.33 102.09 1y8m n VAL 132 Ca 0.00 2.96 -0.26 0.00 -0.01 0.00 0.00 64.34 67.03 1y8m n VAL 132 Cb 0.00 -4.12 -0.17 0.00 -0.91 0.00 0.00 33.84 28.64 1y8m n VAL 132 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1y8m s VAL 133 N -1.61 0.38 0.00 2.52 1.01 -1.26 -4.90 120.40 116.55 1y8m s VAL 133 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1y8m s VAL 133 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1y8m s VAL 133 CO 0.00 -0.13 0.00 0.55 0.00 0.00 0.00 175.10 175.52 1y8m n VAL 134 N 5.11 0.00 -0.01 2.92 3.14 -1.26 -5.00 118.33 123.23 1y8m n VAL 134 Ca -0.08 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1y8m n VAL 134 Cb 0.48 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1y8m n VAL 134 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y8m h ALA 135 N 0.00 0.00 -3.00 1.55 0.00 -2.01 -3.51 119.26 112.29 1y8m h ALA 135 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y8m h ALA 135 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1y8m h ALA 135 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1y8m n GLY 136 N 1.92 0.89 0.00 0.00 0.00 -1.26 -5.10 105.19 101.64 1y8m n GLY 136 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.82 2.95 -0.02 0.00 -1.26 -5.00 105.19 100.03 1y8m n GLY 137 Ca 0.00 0.78 -0.03 0.00 0.00 0.00 0.00 46.02 46.77 1y8m n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y8m n VAL 138 N 0.00 -7.88 -1.49 1.61 0.31 -1.26 -4.93 118.33 104.70 1y8m n VAL 138 Ca 0.00 1.19 -0.30 0.00 -0.01 0.00 0.00 64.34 65.22 1y8m n VAL 138 Cb 0.00 -5.34 0.10 0.00 -0.91 0.00 0.00 33.84 27.68 1y8m n VAL 138 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1y8m s HIS 139 N -1.47 2.74 -1.92 3.52 3.76 -1.26 -4.89 115.29 115.76 1y8m s HIS 139 Ca 0.04 1.19 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 1y8m s HIS 139 Cb -0.01 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.56 1y8m s HIS 139 CO 0.50 -1.87 0.91 -2.39 -0.85 0.00 0.00 174.74 171.05 1y8m n HIS 140 N -3.50 0.00 0.00 1.40 1.44 -1.26 -4.52 115.22 108.77 1y8m n HIS 140 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1y8m n HIS 140 Cb 0.56 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.66 1y8m n HIS 140 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1y8m n HIS 141 N -0.46 0.00 -1.71 -1.40 -0.00 -1.26 -4.81 115.22 105.58 1y8m n HIS 141 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 1y8m n HIS 141 Cb 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.98 1y8m n HIS 141 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1y8m s HIS 142 N 0.49 1.35 0.00 1.57 5.65 -1.26 -4.92 115.29 118.18 1y8m s HIS 142 Ca 0.00 0.22 0.00 0.00 0.25 0.00 0.00 55.06 55.53 1y8m s HIS 142 Cb 0.00 -4.05 0.00 0.00 -1.18 0.00 0.00 32.58 27.35 1y8m s HIS 142 CO 0.00 -4.38 0.00 0.72 -0.65 0.00 0.00 174.74 170.43 1y8m n HIS 143 N 9.86 0.00 -1.61 3.88 -0.00 -1.26 -4.80 115.22 121.29 1y8m n HIS 143 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1y8m n HIS 143 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1y8m n HIS 143 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06