#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 0.00 -5.66 2.03 1.35 -2.09 -3.48 112.91 105.06 1y8m h THR 2 Ca 0.00 -0.47 -0.11 0.00 -0.55 0.00 0.00 66.41 65.28 1y8m h THR 2 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1y8m h THR 2 CO 0.00 0.00 -0.42 1.17 -0.25 0.00 0.00 175.52 176.02 1y8m n LYS 3 N -5.00 -1.71 -0.11 4.72 4.81 -1.26 -4.89 118.16 114.71 1y8m n LYS 3 Ca -0.08 1.56 0.12 0.00 -0.87 0.00 0.00 58.31 59.04 1y8m n LYS 3 Cb 0.25 -4.88 0.24 0.00 0.02 0.00 0.00 35.03 30.66 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 -1.34 0.30 -1.65 3.15 3.14 -1.26 -4.96 118.33 115.72 1y8m n VAL 4 Ca -0.02 -0.58 -0.50 0.00 -2.96 0.00 0.00 64.34 60.28 1y8m n VAL 4 Cb 0.54 0.93 -0.05 0.00 -1.06 0.00 0.00 33.84 34.20 1y8m n VAL 4 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1y8m n ASP 5 N 1.14 2.49 -1.92 6.55 8.00 -1.26 -4.37 116.55 127.18 1y8m n ASP 5 Ca 0.18 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1y8m n ASP 5 Cb 0.53 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1y8m n ASP 5 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1y8m n PHE 6 N 3.73 -5.00 -2.15 1.24 7.35 -1.26 -4.86 117.46 116.50 1y8m n PHE 6 Ca 0.19 2.61 -0.34 0.00 -0.76 0.00 0.00 57.45 59.15 1y8m n PHE 6 Cb 0.23 -3.78 0.01 0.00 0.35 0.00 0.00 39.48 36.29 1y8m n PHE 6 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1y8m s TRP 7 N -2.23 2.72 1.15 -5.13 0.51 -1.26 -5.00 118.94 109.70 1y8m s TRP 7 Ca 0.00 1.55 -0.13 0.00 -2.12 0.00 0.00 56.10 55.40 1y8m s TRP 7 Cb 0.00 -3.22 0.28 0.00 -0.81 0.00 0.00 33.47 29.72 1y8m s TRP 7 CO 0.00 -1.49 1.04 -1.25 -0.51 0.00 0.00 176.95 174.74 1y8m s PRO 8 N -3.53 -0.83 0.44 4.98 0.04 -1.26 -5.04 135.00 129.79 1y8m s PRO 8 Ca 0.70 0.90 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1y8m s PRO 8 Cb -0.22 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1y8m s PRO 8 CO 0.30 -3.68 0.54 0.95 0.04 0.00 0.00 177.00 175.15 1y8m s THR 9 N -2.47 2.81 0.29 1.26 -4.23 -1.26 -4.99 115.64 107.05 1y8m s THR 9 Ca 0.68 -1.09 0.13 0.00 -1.18 0.00 0.00 61.69 60.23 1y8m s THR 9 Cb -0.25 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.72 1y8m s THR 9 CO 0.64 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.67 1y8m h LEU 10 N 0.69 0.00 -1.31 4.79 5.85 -1.99 -2.35 115.31 120.99 1y8m h LEU 10 Ca -0.39 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1y8m h LEU 10 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1y8m h LEU 10 CO 0.48 0.50 -0.34 0.50 -0.34 0.00 0.00 178.44 179.24 1y8m h LYS 11 N 0.00 0.01 -0.11 1.25 3.64 -2.02 -1.75 116.57 117.58 1y8m h LYS 11 Ca -0.01 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1y8m h LYS 11 Cb 0.93 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1y8m h LYS 11 CO 0.07 0.35 0.26 0.22 -2.27 0.00 0.00 179.45 178.07 1y8m h ASP 12 N 0.01 0.00 0.49 4.20 1.82 -1.80 0.26 116.42 121.39 1y8m h ASP 12 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1y8m h ASP 12 Cb 0.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1y8m h ASP 12 CO 0.04 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.67 1y8m h ALA 13 N 1.59 1.00 -0.25 -0.78 0.00 -1.44 -2.26 119.26 117.12 1y8m h ALA 13 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1y8m h ALA 13 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1y8m h ALA 13 CO -0.00 0.00 0.07 0.66 0.00 0.00 0.00 179.25 179.98 1y8m n TYR 14 N -2.55 0.86 -3.68 0.00 4.02 0.90 -4.63 117.16 112.07 1y8m n TYR 14 Ca 0.00 -0.48 -0.38 0.00 -0.01 0.00 0.00 57.90 57.03 1y8m n TYR 14 Cb 0.17 -0.33 -0.10 0.00 -0.02 0.00 0.00 39.34 39.07 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 -1.50 2.41 0.00 -0.72 8.01 -0.85 -5.09 118.70 120.96 1y8m s GLU 15 Ca 0.20 -2.14 0.00 0.00 0.01 0.00 0.00 54.97 53.04 1y8m s GLU 15 Cb 0.16 -3.76 0.00 0.00 -4.31 0.00 0.00 34.13 26.22 1y8m s GLU 15 CO 0.05 -1.15 0.00 -2.30 0.01 0.00 0.00 175.26 171.87 1y8m n PRO 16 N 4.17 -0.57 -3.88 0.39 -0.02 -1.26 -4.84 135.00 128.99 1y8m n PRO 16 Ca 0.02 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 1y8m n PRO 16 Cb 0.40 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.80 1y8m n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1y8m s LEU 17 N 0.00 1.53 0.44 2.45 1.43 -1.26 -5.01 118.68 118.26 1y8m s LEU 17 Ca 0.00 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1y8m s LEU 17 Cb 0.00 0.86 -0.03 0.00 0.03 0.00 0.00 46.19 47.04 1y8m s LEU 17 CO 0.00 -0.58 0.72 -0.31 0.23 0.00 0.00 176.35 176.40 1y8m s TYR 18 N -2.90 3.53 0.50 0.29 2.02 -1.26 -4.94 117.35 114.59 1y8m s TYR 18 Ca -0.02 0.66 0.17 0.00 -0.37 0.00 0.00 57.07 57.51 1y8m s TYR 18 Cb 0.01 -2.19 1.24 0.00 -0.40 0.00 0.00 41.96 40.61 1y8m s TYR 18 CO -0.06 -0.17 2.09 -1.35 -1.57 0.00 0.00 175.55 174.49 1y8m h PRO 19 N 0.38 0.10 -0.09 -1.71 0.10 -2.02 -2.35 132.00 126.39 1y8m h PRO 19 Ca -0.48 -0.01 -0.10 0.00 0.10 0.00 0.00 66.00 65.52 1y8m h PRO 19 Cb 1.21 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.29 1y8m h PRO 19 CO 0.61 0.06 -0.34 1.96 0.10 0.00 0.00 178.00 180.40 1y8m h GLN 20 N 0.10 0.39 -0.37 1.05 4.20 -1.97 -0.85 115.11 117.66 1y8m h GLN 20 Ca 0.11 -0.30 0.02 0.00 0.06 0.00 0.00 58.65 58.54 1y8m h GLN 20 Cb 0.30 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1y8m h GLN 20 CO -0.01 0.93 0.19 1.96 -0.67 0.00 0.00 178.83 181.23 1y8m h GLN 21 N -0.06 0.39 -0.15 1.46 1.08 -1.82 0.23 115.11 116.24 1y8m h GLN 21 Ca -0.02 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 1y8m h GLN 21 Cb 0.97 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1y8m h GLN 21 CO 0.07 0.26 -0.46 1.25 -0.95 0.00 0.00 178.83 178.99 1y8m h LEU 22 N 0.40 0.40 -0.77 1.46 5.85 -1.50 -2.75 115.31 118.40 1y8m h LEU 22 Ca 0.15 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1y8m h LEU 22 Cb 0.05 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1y8m h LEU 22 CO -0.10 0.81 -0.61 -0.08 -0.34 0.00 0.00 178.44 178.12 1y8m h GLU 23 N 0.30 0.02 -0.25 1.25 4.81 -0.51 -2.93 114.58 117.27 1y8m h GLU 23 Ca 0.02 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1y8m h GLU 23 Cb 0.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1y8m h GLU 23 CO 0.08 0.62 -0.02 0.82 -0.73 0.00 0.00 179.01 179.79 1y8m h ILE 24 N 0.01 1.26 -0.06 2.32 2.04 -0.31 -0.43 117.51 122.34 1y8m h ILE 24 Ca -0.01 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 64.92 1y8m h ILE 24 Cb 1.08 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1y8m h ILE 24 CO 0.08 0.30 0.05 -0.07 0.00 0.00 0.00 178.15 178.51 1y8m h LEU 25 N 0.21 0.00 -0.09 1.44 3.38 -1.41 -0.20 115.31 118.64 1y8m h LEU 25 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 1y8m h LEU 25 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1y8m h LEU 25 CO 0.02 0.00 -1.03 0.03 0.09 0.00 0.00 178.44 177.55 1y8m h ARG 26 N 0.00 0.23 -0.58 1.13 2.47 -1.23 -2.39 114.38 114.00 1y8m h ARG 26 Ca 0.03 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 1y8m h ARG 26 Cb 0.13 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 1y8m h ARG 26 CO -0.00 1.07 0.33 0.37 0.56 0.00 0.00 179.97 182.30 1y8m h GLN 27 N 0.10 0.81 -0.12 0.04 5.75 0.63 0.60 115.11 122.92 1y8m h GLN 27 Ca -0.08 -0.09 -0.15 0.00 -0.15 0.00 0.00 58.65 58.19 1y8m h GLN 27 Cb 1.71 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 30.09 1y8m h GLN 27 CO 0.16 0.61 -0.56 0.37 -2.65 0.00 0.00 178.83 176.76 1y8m h GLN 28 N 0.79 0.35 0.04 1.69 5.75 -1.40 0.16 115.11 122.49 1y8m h GLN 28 Ca 0.21 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1y8m h GLN 28 Cb 0.03 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.61 1y8m h GLN 28 CO -0.03 0.81 -0.02 0.28 -2.65 0.00 0.00 178.83 177.22 1y8m h VAL 29 N 0.27 1.34 -0.38 2.39 2.07 -0.89 -3.10 116.25 117.95 1y8m h VAL 29 Ca 0.00 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 65.90 1y8m h VAL 29 Cb 1.06 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1y8m h VAL 29 CO 0.09 0.38 0.08 0.58 0.02 0.00 0.00 177.57 178.72 1y8m h VAL 30 N -0.80 1.23 -0.72 2.57 2.07 0.15 0.88 116.25 121.63 1y8m h VAL 30 Ca -0.01 -0.80 0.20 0.00 0.82 0.00 0.00 66.70 66.91 1y8m h VAL 30 Cb 0.66 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1y8m h VAL 30 CO 0.01 0.27 0.51 0.77 0.02 0.00 0.00 177.57 179.16 1y8m h SER 31 N 0.46 0.08 0.86 0.57 4.64 -0.77 0.66 113.55 120.05 1y8m h SER 31 Ca 0.12 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1y8m h SER 31 Cb 0.33 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1y8m h SER 31 CO 0.00 0.03 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.19 1y8m n GLU 32 N -4.36 0.03 0.00 4.77 1.02 -0.99 -4.86 120.64 116.24 1y8m n GLU 32 Ca 0.14 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1y8m n GLU 32 Cb 0.74 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 1.48 1.22 2.72 0.62 0.00 0.23 -4.43 105.19 107.02 1y8m n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1y8m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8m n GLY 34 N 0.00 1.26 0.35 -0.02 0.00 0.27 -4.24 105.19 102.81 1y8m n GLY 34 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.32 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 0.97 0.00 1.61 0.11 -1.95 0.23 132.00 132.97 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 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 1y8m h PRO 35 CO 0.00 0.64 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 1y8m n THR 36 N -4.61 0.00 -1.15 -1.15 -2.24 -1.26 -4.81 114.28 99.06 1y8m n THR 36 Ca 0.16 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.63 1y8m n THR 36 Cb 0.26 -0.41 0.11 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 2.01 0.72 6.98 0.00 0.82 -4.83 121.76 125.46 1y8m s ALA 37 Ca 0.12 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 1y8m s ALA 37 Cb 0.06 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1y8m s ALA 37 CO 0.10 -2.03 1.24 0.95 0.00 0.00 0.00 175.76 176.01 1y8m s THR 38 N -2.86 2.13 0.22 0.00 -4.23 -1.26 -4.83 115.64 104.81 1y8m s THR 38 Ca 0.62 0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 61.12 1y8m s THR 38 Cb -0.18 -2.73 0.16 0.00 1.34 0.00 0.00 72.50 71.08 1y8m s THR 38 CO 0.57 -0.03 1.83 0.40 -0.54 0.00 0.00 174.62 176.85 1y8m h ILE 39 N -0.18 1.03 -0.30 2.99 2.04 -1.94 0.87 117.51 122.02 1y8m h ILE 39 Ca -0.48 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1y8m h ILE 39 Cb 1.31 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1y8m h ILE 39 CO 0.50 0.15 0.27 1.56 0.00 0.00 0.00 178.15 180.63 1y8m h GLN 40 N 0.81 0.00 -0.05 2.37 1.08 -1.98 0.41 115.11 117.75 1y8m h GLN 40 Ca 0.31 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.47 1y8m h GLN 40 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1y8m h GLN 40 CO -0.15 0.00 -0.14 0.66 -0.95 0.00 0.00 178.83 178.25 1y8m h SER 41 N 0.00 0.21 0.03 1.46 4.64 -1.16 -2.92 113.55 115.80 1y8m h SER 41 Ca 0.14 -0.61 -0.19 0.00 -0.47 0.00 0.00 61.79 60.66 1y8m h SER 41 Cb 0.69 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1y8m h SER 41 CO -0.00 0.78 -0.70 0.03 -0.87 0.00 0.00 176.83 176.07 1y8m h ARG 42 N -0.35 0.61 -0.10 4.77 3.08 -1.07 -2.75 114.38 118.56 1y8m h ARG 42 Ca -0.00 -0.46 0.04 0.00 0.07 0.00 0.00 59.98 59.63 1y8m h ARG 42 Cb 0.75 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.83 1y8m h ARG 42 CO 0.03 1.08 -0.35 0.35 -1.07 0.00 0.00 179.97 180.01 1y8m h PHE 43 N 0.43 -0.98 -0.41 3.04 3.57 -0.27 0.89 116.94 123.21 1y8m h PHE 43 Ca -0.03 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1y8m h PHE 43 Cb 1.29 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 40.46 1y8m h PHE 43 CO 0.06 -0.43 0.06 -0.91 -2.23 0.00 0.00 178.31 174.86 1y8m h ASN 44 N -0.45 0.65 -0.86 0.41 4.21 -1.57 -2.54 115.58 115.44 1y8m h ASN 44 Ca 0.08 -0.26 0.15 0.00 1.21 0.00 0.00 56.30 57.48 1y8m h ASN 44 Cb 0.58 -0.17 -0.07 0.00 -1.12 0.00 0.00 38.32 37.54 1y8m h ASN 44 CO -0.35 0.75 0.56 0.22 -1.29 0.00 0.00 177.43 177.32 1y8m h TYR 45 N 0.53 0.71 -0.13 1.19 3.20 -1.10 0.24 116.97 121.61 1y8m h TYR 45 Ca 0.12 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1y8m h TYR 45 Cb 0.38 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1y8m h TYR 45 CO 0.03 0.26 -0.27 0.00 -1.64 0.00 0.00 178.16 176.53 1y8m h ALA 46 N 1.61 1.29 -0.25 1.82 0.00 -0.41 -2.99 119.26 120.33 1y8m h ALA 46 Ca 0.43 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1y8m h ALA 46 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1y8m h ALA 46 CO -0.18 0.48 -0.03 2.35 0.00 0.00 0.00 179.25 181.87 1y8m h TRP 47 N 0.22 0.51 -0.94 0.00 -0.00 -0.36 -2.72 115.95 112.65 1y8m h TRP 47 Ca 0.03 -0.10 0.09 0.00 -0.00 0.00 0.00 58.89 58.91 1y8m h TRP 47 Cb 0.61 -0.13 -0.07 0.00 -0.00 0.00 0.00 29.16 29.57 1y8m h TRP 47 CO 0.01 0.65 0.59 0.78 -0.00 0.00 0.00 178.44 180.47 1y8m h GLY 48 N 0.21 1.48 2.00 2.65 0.00 -1.34 0.57 103.07 108.64 1y8m h GLY 48 Ca 0.07 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1y8m h GLY 48 CO 0.02 0.23 -0.22 1.41 0.00 0.00 0.00 176.54 177.98 1y8m h LEU 49 N 1.01 0.00 -0.57 3.11 3.38 -1.44 -2.56 115.31 118.25 1y8m h LEU 49 Ca 0.44 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.26 1y8m h LEU 49 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1y8m h LEU 49 CO -0.21 0.22 -0.42 0.40 0.09 0.00 0.00 178.44 178.51 1y8m h ILE 50 N 0.00 1.29 0.00 1.22 1.08 -0.57 -2.53 117.51 118.00 1y8m h ILE 50 Ca -0.00 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 1y8m h ILE 50 Cb 0.47 1.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1y8m h ILE 50 CO 0.03 0.51 0.00 0.29 -0.69 0.00 0.00 178.15 178.29 1y8m n LYS 51 N -4.03 0.21 -0.66 2.37 5.02 -0.98 -4.84 118.16 115.24 1y8m n LYS 51 Ca -0.02 0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 1y8m n LYS 51 Cb 0.54 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.22 1y8m n LYS 51 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1y8m n SER 52 N -1.38 -0.17 -0.02 4.39 7.64 -0.95 -4.29 113.62 118.83 1y8m n SER 52 Ca 0.10 0.34 -0.19 0.00 1.01 0.00 0.00 58.87 60.13 1y8m n SER 52 Cb 0.25 -1.42 -0.14 0.00 -1.01 0.00 0.00 64.21 61.89 1y8m n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1y8m n THR 53 N -4.27 1.71 -2.24 0.44 -2.24 -1.26 -4.88 114.28 101.54 1y8m n THR 53 Ca 0.10 -0.66 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 1y8m n THR 53 Cb 0.52 -1.58 -0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1y8m n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1y8m s ASP 54 N -6.83 5.83 0.28 3.42 1.01 -1.26 -4.92 116.67 114.20 1y8m s ASP 54 Ca -0.23 2.02 0.25 0.00 0.71 0.00 0.00 52.55 55.31 1y8m s ASP 54 Cb 0.07 -2.56 0.70 0.00 1.01 0.00 0.00 42.92 42.14 1y8m s ASP 54 CO 0.75 -1.14 1.73 1.62 0.21 0.00 0.00 175.17 178.34 1y8m h VAL 55 N 1.01 0.00 -0.34 -1.27 3.04 -1.98 -3.20 116.25 113.52 1y8m h VAL 55 Ca -0.49 -0.61 -0.02 0.00 -1.01 0.00 0.00 66.70 64.57 1y8m h VAL 55 Cb 1.24 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 32.11 1y8m h VAL 55 CO 0.57 0.00 0.15 0.78 -1.01 0.00 0.00 177.57 178.06 1y8m h ASN 56 N 0.00 0.46 -0.16 3.17 2.35 -1.98 -1.41 115.58 118.01 1y8m h ASN 56 Ca 0.00 -0.15 -0.21 0.00 -0.55 0.00 0.00 56.30 55.39 1y8m h ASN 56 Cb 0.79 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1y8m h ASN 56 CO 0.00 0.48 -0.72 0.44 -1.65 0.00 0.00 177.43 175.98 1y8m h ASP 57 N 0.41 0.93 -0.98 5.81 3.32 -1.86 -2.82 116.42 121.23 1y8m h ASP 57 Ca 0.12 -0.58 0.04 0.00 0.02 0.00 0.00 57.03 56.62 1y8m h ASP 57 Cb 0.15 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.37 1y8m h ASP 57 CO -0.01 1.38 0.64 -0.33 -1.72 0.00 0.00 179.24 179.20 1y8m h GLU 58 N 0.56 1.20 0.00 3.56 5.08 -1.51 -0.11 114.58 123.36 1y8m h GLU 58 Ca -0.03 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1y8m h GLU 58 Cb 1.34 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1y8m h GLU 58 CO 0.15 0.80 -0.26 0.00 -1.00 0.00 0.00 179.01 178.70 1y8m h ARG 59 N 1.24 0.00 0.00 2.33 3.08 -1.23 -2.77 114.38 117.04 1y8m h ARG 59 Ca 0.39 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.29 1y8m h ARG 59 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1y8m h ARG 59 CO -0.12 0.26 -0.58 1.25 -1.07 0.00 0.00 179.97 179.71 1y8m h LEU 60 N 0.00 0.51 -0.93 3.04 5.85 -0.81 -2.86 115.31 120.11 1y8m h LEU 60 Ca -0.00 -0.76 -0.00 0.00 0.84 0.00 0.00 57.88 57.95 1y8m h LEU 60 Cb 0.80 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1y8m h LEU 60 CO 0.03 1.21 0.58 1.23 -0.34 0.00 0.00 178.44 181.15 1y8m h GLY 61 N -0.13 1.35 1.00 3.75 0.00 -1.16 -2.15 103.07 105.72 1y8m h GLY 61 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1y8m h GLY 61 CO 0.11 0.53 0.29 -2.08 0.00 0.00 0.00 176.54 175.40 1y8m h VAL 62 N 1.28 1.11 -0.89 4.60 2.07 -1.52 0.38 116.25 123.28 1y8m h VAL 62 Ca 0.34 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1y8m h VAL 62 Cb -0.08 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1y8m h VAL 62 CO -0.07 0.11 0.59 0.50 0.02 0.00 0.00 177.57 178.72 1y8m h LYS 63 N 0.60 1.10 -0.15 1.57 3.11 -1.17 -0.81 116.57 120.82 1y8m h LYS 63 Ca 0.16 -0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 57.87 1y8m h LYS 63 Cb -0.07 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 30.91 1y8m h LYS 63 CO -0.03 0.73 -0.16 0.82 -2.81 0.00 0.00 179.45 177.99 1y8m h ILE 64 N 1.13 1.35 -0.29 2.00 2.04 -0.82 -1.35 117.51 121.57 1y8m h ILE 64 Ca 0.35 -1.34 0.08 0.00 1.00 0.00 0.00 64.86 64.95 1y8m h ILE 64 Cb -0.01 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1y8m h ILE 64 CO -0.10 0.39 0.22 -0.07 0.00 0.00 0.00 178.15 178.59 1y8m h LEU 65 N -0.01 0.00 0.00 1.44 3.38 -0.37 0.80 115.31 120.55 1y8m h LEU 65 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1y8m h LEU 65 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1y8m h LEU 65 CO 0.04 0.00 -1.03 0.74 0.09 0.00 0.00 178.44 178.28 1y8m h THR 66 N 0.00 1.09 -0.15 0.22 2.02 -0.90 -2.57 112.91 112.62 1y8m h THR 66 Ca 0.14 -2.67 -0.13 0.00 0.77 0.00 0.00 66.41 64.52 1y8m h THR 66 Cb 0.57 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1y8m h THR 66 CO -0.00 0.62 -0.41 0.44 0.37 0.00 0.00 175.52 176.53 1y8m h ASP 67 N 0.00 0.62 0.56 4.18 5.19 0.24 -2.12 116.42 125.08 1y8m h ASP 67 Ca -0.08 -0.59 -0.08 0.00 -0.62 0.00 0.00 57.03 55.66 1y8m h ASP 67 Cb 1.65 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.97 1y8m h ASP 67 CO 0.09 1.10 -0.40 0.40 -3.12 0.00 0.00 179.24 177.30 1y8m h ILE 68 N 0.16 1.13 0.00 0.35 2.04 -1.19 -2.34 117.51 117.67 1y8m h ILE 68 Ca -0.01 -1.46 -0.06 0.00 1.00 0.00 0.00 64.86 64.33 1y8m h ILE 68 Cb 1.03 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1y8m h ILE 68 CO 0.09 0.39 -0.29 0.22 0.00 0.00 0.00 178.15 178.57 1y8m h TYR 69 N 0.00 0.00 -0.29 1.37 5.03 -1.31 -3.16 116.97 118.61 1y8m h TYR 69 Ca -0.00 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.18 1y8m h TYR 69 Cb 0.79 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1y8m h TYR 69 CO 0.00 0.29 -0.35 0.87 -1.32 0.00 0.00 178.16 177.65 1y8m h LYS 70 N 0.00 0.64 0.00 1.82 1.57 -0.81 -3.43 116.57 116.36 1y8m h LYS 70 Ca -0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1y8m h LYS 70 Cb 0.91 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1y8m h LYS 70 CO 0.04 0.90 0.00 0.39 -0.57 0.00 0.00 179.45 180.21 1y8m n GLU 71 N -4.06 0.00 0.00 3.15 4.71 -1.19 -4.84 120.64 118.41 1y8m n GLU 71 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1y8m n GLU 71 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.92 1y8m n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1y8m n ALA 72 N -3.00 0.00 -0.25 0.62 0.00 -1.24 -4.61 120.51 112.03 1y8m n ALA 72 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1y8m n ALA 72 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1y8m n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y8m n GLU 73 N 0.00 0.68 0.00 0.00 1.02 -1.26 -3.45 120.64 117.64 1y8m n GLU 73 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 1y8m n GLU 73 Cb 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1y8m n GLU 73 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1y8m n SER 74 N 4.35 0.00 0.01 1.62 7.64 -1.26 -4.90 113.62 121.08 1y8m n SER 74 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1y8m n SER 74 Cb 0.08 0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.50 1y8m n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1y8m n ARG 75 N -1.69 0.00 -0.24 1.43 5.12 -1.22 -1.23 116.66 118.83 1y8m n ARG 75 Ca 0.00 0.15 0.22 0.00 -1.93 0.00 0.00 57.85 56.29 1y8m n ARG 75 Cb 0.00 -1.91 0.57 0.00 -1.16 0.00 0.00 32.46 29.96 1y8m n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y8m h ARG 76 N 0.00 0.29 -0.42 5.56 3.08 -1.90 -0.76 114.38 120.24 1y8m h ARG 76 Ca 0.00 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.12 1y8m h ARG 76 Cb 0.79 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.69 1y8m h ARG 76 CO 0.00 0.19 -0.15 0.00 -1.07 0.00 0.00 179.97 178.94 1y8m h ARG 77 N 0.30 -0.06 -0.08 0.04 3.08 -1.55 0.32 114.38 116.43 1y8m h ARG 77 Ca 0.48 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.39 1y8m h ARG 77 Cb 1.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1y8m h ARG 77 CO -0.15 -0.04 -0.60 0.93 -1.07 0.00 0.00 179.97 179.04 1y8m h GLU 78 N -0.06 0.28 -0.26 0.04 4.39 -1.42 -3.10 114.58 114.45 1y8m h GLU 78 Ca 0.20 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1y8m h GLU 78 Cb 0.37 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1y8m h GLU 78 CO -0.46 0.80 0.15 0.00 -1.16 0.00 0.00 179.01 178.33 1y8m h LEU 80 N 0.32 0.69 0.04 0.00 3.38 -0.41 0.74 115.31 120.06 1y8m h LEU 80 Ca 0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1y8m h LEU 80 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1y8m h LEU 80 CO -0.02 0.37 -0.02 0.22 0.09 0.00 0.00 178.44 179.09 1y8m h TYR 81 N 0.79 -0.05 0.00 1.13 5.03 -1.34 -2.34 116.97 120.19 1y8m h TYR 81 Ca 0.42 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.67 1y8m h TYR 81 Cb 0.43 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1y8m h TYR 81 CO -0.06 0.27 -0.31 1.88 -1.32 0.00 0.00 178.16 178.62 1y8m h TYR 82 N -0.38 0.00 -0.35 -3.82 0.05 -0.41 -2.65 116.97 109.41 1y8m h TYR 82 Ca -0.01 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 1y8m h TYR 82 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1y8m h TYR 82 CO 0.03 0.31 -0.32 -0.07 -1.05 0.00 0.00 178.16 177.06 1y8m h LEU 83 N 0.00 0.81 -0.93 3.88 3.38 0.60 0.27 115.31 123.32 1y8m h LEU 83 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1y8m h LEU 83 Cb 0.60 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1y8m h LEU 83 CO 0.04 1.07 0.60 0.74 0.09 0.00 0.00 178.44 180.98 1y8m h THR 84 N 0.65 1.25 -0.03 0.22 2.02 -1.06 0.83 112.91 116.78 1y8m h THR 84 Ca 0.07 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1y8m h THR 84 Cb 0.86 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1y8m h THR 84 CO 0.08 0.24 -0.04 0.40 0.37 0.00 0.00 175.52 176.57 1y8m h ILE 85 N 1.27 1.41 -0.07 3.11 1.08 -1.29 0.83 117.51 123.85 1y8m h ILE 85 Ca 0.34 -1.28 -0.03 0.00 -0.39 0.00 0.00 64.86 63.50 1y8m h ILE 85 Cb -0.11 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 1y8m h ILE 85 CO -0.07 0.34 -0.09 1.23 -0.69 0.00 0.00 178.15 178.87 1y8m h GLY 86 N -0.42 0.11 0.93 5.37 0.00 -0.11 -2.53 103.07 106.42 1y8m h GLY 86 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 1y8m h GLY 86 CO 0.01 0.06 -0.82 0.00 0.00 0.00 0.00 176.54 175.78 1y8m h TYR 88 N 0.02 0.15 0.00 0.00 3.20 -0.41 0.19 116.97 120.12 1y8m h TYR 88 Ca -0.11 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 1y8m h TYR 88 Cb 1.53 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 1y8m h TYR 88 CO 0.14 0.06 -0.37 0.87 -1.64 0.00 0.00 178.16 177.22 1y8m h LYS 89 N 0.13 0.00 -0.48 1.82 1.79 -1.52 -2.82 116.57 115.49 1y8m h LYS 89 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1y8m h LYS 89 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1y8m h LYS 89 CO -0.03 0.37 0.00 1.28 -1.08 0.00 0.00 179.45 179.99 1y8m n LEU 90 N -3.35 4.98 -1.92 2.94 4.77 0.50 -4.92 117.00 120.00 1y8m n LEU 90 Ca 0.01 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 1y8m n LEU 90 Cb 0.58 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1y8m n LEU 90 CO 0.37 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1y8m n GLY 91 N 0.33 -0.33 1.82 -0.72 0.00 -0.26 -4.67 105.19 101.35 1y8m n GLY 91 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.88 1.58 0.14 1.61 1.02 -0.98 -4.59 120.64 117.54 1y8m n GLU 92 Ca 0.00 -0.84 0.02 0.00 -0.02 0.00 0.00 57.16 56.33 1y8m n GLU 92 Cb 0.33 -1.51 0.12 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.47 0.15 -0.14 -0.32 4.01 -1.26 -0.21 117.16 120.86 1y8m n TYR 93 Ca 0.23 0.08 -0.10 0.00 -0.16 0.00 0.00 57.90 57.95 1y8m n TYR 93 Cb 0.63 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 39.40 1y8m n TYR 93 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1y8m h SER 94 N 0.00 0.63 0.23 7.72 0.87 -1.97 -0.11 113.55 120.93 1y8m h SER 94 Ca 0.00 -0.26 -0.27 0.00 -1.23 0.00 0.00 61.79 60.04 1y8m h SER 94 Cb 1.07 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1y8m h SER 94 CO 0.00 0.73 -1.12 0.24 -0.53 0.00 0.00 176.83 176.15 1y8m h MET 95 N 0.51 0.53 -0.61 2.24 2.86 -0.99 -3.03 114.93 116.44 1y8m h MET 95 Ca 0.12 -0.66 0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1y8m h MET 95 Cb 0.36 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1y8m h MET 95 CO 0.01 1.27 0.38 0.00 1.06 0.00 0.00 176.91 179.62 1y8m h ALA 96 N 0.49 0.79 -0.15 6.32 0.00 -1.38 -1.57 119.26 123.75 1y8m h ALA 96 Ca -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1y8m h ALA 96 Cb 1.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1y8m h ALA 96 CO 0.21 0.12 0.06 -0.22 0.00 0.00 0.00 179.25 179.41 1y8m h LYS 97 N 0.74 0.22 -0.21 0.00 3.64 -1.03 -0.73 116.57 119.20 1y8m h LYS 97 Ca 0.25 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1y8m h LYS 97 Cb 0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1y8m h LYS 97 CO -0.10 0.32 -0.45 0.07 -2.27 0.00 0.00 179.45 177.02 1y8m h ARG 98 N 0.08 0.52 0.13 1.90 0.11 -1.39 -2.37 114.38 113.36 1y8m h ARG 98 Ca 0.05 -0.28 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 1y8m h ARG 98 Cb 0.18 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1y8m h ARG 98 CO -0.00 0.87 -0.06 1.88 0.10 0.00 0.00 179.97 182.76 1y8m h TYR 99 N 0.42 -0.16 -0.63 4.08 0.05 -1.25 -2.90 116.97 116.59 1y8m h TYR 99 Ca 0.03 -0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.96 1y8m h TYR 99 Cb 0.96 0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.72 1y8m h TYR 99 CO 0.04 0.32 0.44 -0.24 -1.05 0.00 0.00 178.16 177.67 1y8m h VAL 100 N -0.83 0.74 -0.02 -2.88 3.04 -1.20 -0.40 116.25 114.70 1y8m h VAL 100 Ca -0.02 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1y8m h VAL 100 Cb 0.55 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1y8m h VAL 100 CO 0.03 0.02 0.01 -0.78 -1.01 0.00 0.00 177.57 175.84 1y8m h ASP 101 N 0.12 0.02 -0.07 3.17 3.58 -1.36 0.39 116.42 122.28 1y8m h ASP 101 Ca 0.30 -0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1y8m h ASP 101 Cb 1.02 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1y8m h ASP 101 CO -0.04 0.16 -0.06 0.74 -2.88 0.00 0.00 179.24 177.17 1y8m h THR 102 N -0.12 0.84 -0.40 2.25 2.02 -0.89 0.12 112.91 116.74 1y8m h THR 102 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1y8m h THR 102 Cb 0.14 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1y8m h THR 102 CO -0.00 0.00 0.12 0.25 0.37 0.00 0.00 175.52 176.25 1y8m h LEU 103 N -0.07 0.59 -1.90 2.58 5.85 -1.29 -2.19 115.31 118.88 1y8m h LEU 103 Ca 0.05 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1y8m h LEU 103 Cb 0.13 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1y8m h LEU 103 CO -0.11 0.65 -0.10 0.15 -0.34 0.00 0.00 178.44 178.69 1y8m h PHE 104 N 0.50 0.00 -0.44 1.25 3.57 0.13 -2.01 116.94 119.93 1y8m h PHE 104 Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1y8m h PHE 104 Cb 0.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1y8m h PHE 104 CO 0.01 0.10 0.11 1.49 -2.23 0.00 0.00 178.31 177.79 1y8m h GLU 105 N 0.00 0.70 0.00 1.11 4.22 -0.13 -3.39 114.58 117.10 1y8m h GLU 105 Ca -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.27 1y8m h GLU 105 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1y8m h GLU 105 CO 0.01 0.70 0.00 1.58 -2.18 0.00 0.00 179.01 179.13 1y8m n HIS 106 N -4.52 0.00 0.00 0.92 -0.00 -0.76 -4.62 115.22 106.24 1y8m n HIS 106 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1y8m n HIS 106 Cb 0.21 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 1y8m n HIS 106 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1y8m n GLU 107 N 0.00 2.93 0.00 1.57 2.13 -1.26 -5.02 120.64 120.99 1y8m n GLU 107 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1y8m n GLU 107 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1y8m n GLU 107 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1y8m n ARG 108 N 0.00 0.16 -3.76 5.31 0.63 -1.26 -5.02 116.66 112.72 1y8m n ARG 108 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 1y8m n ARG 108 Cb 0.00 -0.01 -0.11 0.00 0.45 0.00 0.00 32.46 32.78 1y8m n ARG 108 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1y8m s ASN 109 N 0.00 5.29 -0.43 6.15 0.01 -1.26 -4.94 114.94 119.76 1y8m s ASN 109 Ca 0.00 -1.81 0.03 0.00 -0.71 0.00 0.00 52.86 50.37 1y8m s ASN 109 Cb 0.00 -1.85 0.25 0.00 0.41 0.00 0.00 41.25 40.06 1y8m s ASN 109 CO 0.00 -0.50 1.02 -0.46 -1.51 0.00 0.00 177.10 175.64 1y8m n ASN 110 N 4.67 -2.30 0.30 -1.22 0.23 -1.26 -5.00 115.26 110.68 1y8m n ASN 110 Ca -0.06 -2.69 0.11 0.00 -0.53 0.00 0.00 54.58 51.41 1y8m n ASN 110 Cb 0.42 1.40 0.58 0.00 -2.08 0.00 0.00 39.78 40.10 1y8m n ASN 110 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1y8m h LYS 111 N 3.71 0.00 0.01 -3.83 2.10 -1.99 0.23 116.57 116.80 1y8m h LYS 111 Ca -0.17 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.28 1y8m h LYS 111 Cb 1.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 1y8m h LYS 111 CO 0.12 0.00 -0.90 -0.56 -2.00 0.00 0.00 179.45 176.10 1y8m h GLN 112 N 0.00 0.04 0.02 0.07 3.07 -2.00 -2.81 115.11 113.50 1y8m h GLN 112 Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1y8m h GLN 112 Cb 0.92 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.49 1y8m h GLN 112 CO 0.00 0.91 -0.01 0.28 0.09 0.00 0.00 178.83 180.11 1y8m h VAL 113 N 0.02 1.50 -0.68 1.86 2.07 -0.98 -2.53 116.25 117.51 1y8m h VAL 113 Ca -0.02 -1.78 0.20 0.00 0.82 0.00 0.00 66.70 65.92 1y8m h VAL 113 Cb 1.58 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 33.99 1y8m h VAL 113 CO 0.12 0.44 0.58 1.23 0.02 0.00 0.00 177.57 179.96 1y8m h GLY 114 N -0.82 0.00 0.27 2.17 0.00 -1.52 0.11 103.07 103.28 1y8m h GLY 114 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1y8m h GLY 114 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1y8m h ALA 115 N 1.48 0.01 -0.46 3.60 0.00 -1.40 -2.08 119.26 120.41 1y8m h ALA 115 Ca 0.32 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1y8m h ALA 115 Cb 1.47 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1y8m h ALA 115 CO -0.00 0.01 0.23 1.25 0.00 0.00 0.00 179.25 180.74 1y8m h LEU 116 N -0.71 0.34 -2.14 0.00 5.85 -0.54 0.10 115.31 118.22 1y8m h LEU 116 Ca -0.02 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1y8m h LEU 116 Cb 0.96 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1y8m h LEU 116 CO 0.03 0.24 0.03 0.50 -0.34 0.00 0.00 178.44 178.90 1y8m h LYS 117 N 0.47 0.00 -0.01 1.25 3.64 -0.94 -1.33 116.57 119.64 1y8m h LYS 117 Ca 0.20 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1y8m h LYS 117 Cb 0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1y8m h LYS 117 CO -0.13 0.00 -0.26 0.77 -2.27 0.00 0.00 179.45 177.56 1y8m h SER 118 N 0.00 0.02 -0.14 4.20 0.02 -0.05 0.16 113.55 117.75 1y8m h SER 118 Ca 0.02 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 1y8m h SER 118 Cb 0.08 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1y8m h SER 118 CO -0.00 0.28 -0.62 0.24 -1.14 0.00 0.00 176.83 175.59 1y8m h MET 119 N 0.02 0.66 0.19 3.45 2.86 -1.09 0.52 114.93 121.53 1y8m h MET 119 Ca 0.00 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1y8m h MET 119 Cb 0.47 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1y8m h MET 119 CO 0.03 1.15 -0.09 0.28 1.06 0.00 0.00 176.91 179.34 1y8m h VAL 120 N 0.33 0.90 -0.12 -2.22 2.07 -1.40 0.72 116.25 116.54 1y8m h VAL 120 Ca -0.04 -0.46 -0.15 0.00 0.82 0.00 0.00 66.70 66.87 1y8m h VAL 120 Cb 1.25 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1y8m h VAL 120 CO 0.13 0.11 -0.58 -0.33 0.02 0.00 0.00 177.57 176.91 1y8m h GLU 121 N -0.48 0.38 -0.33 1.57 4.39 -0.76 -1.93 114.58 117.42 1y8m h GLU 121 Ca -0.03 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.28 1y8m h GLU 121 Cb 0.37 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1y8m h GLU 121 CO 0.04 0.85 -0.38 0.22 -1.16 0.00 0.00 179.01 178.58 1y8m h ASP 122 N 0.29 0.83 0.66 1.42 1.82 -0.85 -1.13 116.42 119.45 1y8m h ASP 122 Ca -0.00 -0.37 -0.16 0.00 -0.39 0.00 0.00 57.03 56.11 1y8m h ASP 122 Cb 1.10 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 1y8m h ASP 122 CO 0.10 1.12 -0.72 0.11 -1.61 0.00 0.00 179.24 178.23 1y8m h LYS 123 N 0.64 0.05 0.00 0.28 1.79 -0.75 0.53 116.57 119.12 1y8m h LYS 123 Ca 0.06 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1y8m h LYS 123 Cb 0.94 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 1y8m h LYS 123 CO 0.09 0.75 -0.43 0.82 -1.08 0.00 0.00 179.45 179.59 1y8m h ILE 124 N 0.03 0.76 0.01 1.86 2.04 -1.25 -2.53 117.51 118.43 1y8m h ILE 124 Ca -0.01 -1.99 -0.15 0.00 1.00 0.00 0.00 64.86 63.70 1y8m h ILE 124 Cb 1.28 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.65 1y8m h ILE 124 CO 0.10 0.42 -0.83 1.56 0.00 0.00 0.00 178.15 179.39 1y8m h GLN 125 N 0.00 0.02 0.00 2.37 4.20 -1.03 -3.36 115.11 117.31 1y8m h GLN 125 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1y8m h GLN 125 Cb 1.28 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1y8m h GLN 125 CO 0.06 1.01 0.00 1.17 -0.67 0.00 0.00 178.83 180.40 1y8m n LYS 126 N -4.46 0.16 0.09 1.46 4.81 0.19 -2.72 118.16 117.68 1y8m n LYS 126 Ca -0.24 0.33 0.12 0.00 -0.87 0.00 0.00 58.31 57.65 1y8m n LYS 126 Cb 0.63 -1.77 0.45 0.00 0.02 0.00 0.00 35.03 34.36 1y8m n LYS 126 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1y8m n GLU 127 N -2.07 0.18 -1.09 1.64 1.02 -0.95 -4.75 120.64 114.61 1y8m n GLU 127 Ca 0.03 0.26 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1y8m n GLU 127 Cb 0.27 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 1y8m n GLU 127 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1y8m n THR 128 N -2.07 0.00 -2.53 2.62 5.66 -1.10 -4.65 114.28 112.21 1y8m n THR 128 Ca 0.04 -0.44 -0.18 0.00 -3.05 0.00 0.00 64.05 60.43 1y8m n THR 128 Cb 0.32 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.12 1y8m n THR 128 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1y8m n LEU 129 N 4.38 3.26 0.00 1.09 7.94 -1.26 -5.07 117.00 127.35 1y8m n LEU 129 Ca 0.29 -4.44 0.00 0.00 -1.11 0.00 0.00 56.01 50.75 1y8m n LEU 129 Cb 0.29 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1y8m n LEU 129 CO 0.70 1.88 0.00 0.29 -1.11 0.00 0.00 177.39 179.14 1y8m n LYS 130 N -0.35 2.56 -0.30 1.96 5.02 -1.26 -5.02 118.16 120.77 1y8m n LYS 130 Ca 0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.26 1y8m n LYS 130 Cb 0.76 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 36.05 1y8m n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y8m n GLY 131 N 5.00 -3.50 2.85 0.72 0.00 -1.26 -4.94 105.19 104.06 1y8m n GLY 131 Ca 0.00 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 -5.58 2.93 -1.60 1.61 0.31 -1.26 -5.02 118.33 109.72 1y8m n VAL 132 Ca 0.11 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 59.21 1y8m n VAL 132 Cb 0.57 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 1y8m n VAL 132 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1y8m n VAL 133 N 1.65 -3.19 -0.92 2.52 0.31 -1.26 -4.77 118.33 112.68 1y8m n VAL 133 Ca 0.25 1.56 -0.28 0.00 -0.01 0.00 0.00 64.34 65.85 1y8m n VAL 133 Cb 0.37 -2.51 0.21 0.00 -0.91 0.00 0.00 33.84 31.01 1y8m n VAL 133 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1y8m s VAL 134 N -5.13 1.97 -0.93 2.52 0.11 -1.26 -4.24 120.40 113.44 1y8m s VAL 134 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1y8m s VAL 134 Cb 0.00 -2.33 -0.06 0.00 -1.53 0.00 0.00 36.38 32.46 1y8m s VAL 134 CO 0.00 0.00 0.81 0.00 -3.33 0.00 0.00 175.10 172.58 1y8m n ALA 135 N -4.54 -2.22 0.08 1.54 0.00 -1.26 -4.93 120.51 109.19 1y8m n ALA 135 Ca 0.04 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1y8m n ALA 135 Cb 0.56 -5.00 -0.07 0.00 0.00 0.00 0.00 19.45 14.94 1y8m n ALA 135 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1y8m h GLY 136 N -0.98 0.33 -3.33 0.00 0.00 -1.86 -3.48 103.07 93.75 1y8m h GLY 136 Ca -0.53 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.09 1y8m h GLY 136 CO 0.39 0.59 -0.10 0.61 0.00 0.00 0.00 176.54 178.03 1y8m n GLY 137 N 1.15 0.47 3.34 4.60 0.00 -1.26 -4.98 105.19 108.51 1y8m n GLY 137 Ca -0.06 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.63 4.55 0.00 1.61 0.31 -1.26 -4.94 118.33 116.97 1y8m n VAL 138 Ca -0.01 -5.29 0.00 0.00 -0.01 0.00 0.00 64.34 59.03 1y8m n VAL 138 Cb 0.51 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 1y8m n VAL 138 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1y8m n HIS 139 N 3.13 0.00 -0.60 3.52 8.25 -1.26 -4.60 115.22 123.66 1y8m n HIS 139 Ca 0.26 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.42 1y8m n HIS 139 Cb 0.39 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.71 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 0.00 -0.14 -3.56 4.41 8.25 -1.26 -5.04 115.22 117.89 1y8m n HIS 140 Ca 0.00 0.16 -0.01 0.00 -0.26 0.00 0.00 57.72 57.62 1y8m n HIS 140 Cb 0.00 -1.86 -0.06 0.00 1.12 0.00 0.00 29.99 29.19 1y8m n HIS 140 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1y8m s HIS 141 N -2.53 -0.64 -0.21 4.41 -0.00 -1.26 -4.90 115.29 110.16 1y8m s HIS 141 Ca 0.67 1.20 -0.26 0.00 -0.00 0.00 0.00 55.06 56.67 1y8m s HIS 141 Cb -0.24 0.38 -0.01 0.00 -0.00 0.00 0.00 32.58 32.72 1y8m s HIS 141 CO 0.61 -0.32 0.87 -3.38 -0.00 0.00 0.00 174.74 172.53 1y8m s HIS 142 N 1.79 3.36 0.15 0.38 -0.00 -1.26 -4.92 115.29 114.78 1y8m s HIS 142 Ca -0.07 1.24 -0.05 0.00 -0.00 0.00 0.00 55.06 56.19 1y8m s HIS 142 Cb -0.05 -3.08 -0.01 0.00 -0.00 0.00 0.00 32.58 29.44 1y8m s HIS 142 CO -0.16 -0.36 1.39 0.45 -0.00 0.00 0.00 174.74 176.06 1y8m h HIS 143 N 7.52 0.70 0.00 0.38 -0.00 -2.05 -3.55 115.15 118.16 1y8m h HIS 143 Ca -0.24 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 1y8m h HIS 143 Cb 1.10 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1y8m h HIS 143 CO 0.74 1.10 0.00 0.72 -0.00 0.00 0.00 177.93 180.49