#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2woe s PRO 4 N 0.00 4.60 1.06 1.61 0.04 -1.26 -5.08 135.00 135.97 2woe s PRO 4 Ca 0.00 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 2woe s PRO 4 Cb 0.00 -3.32 0.23 0.00 0.04 0.00 0.00 34.50 31.44 2woe s PRO 4 CO 0.00 0.39 1.07 -1.54 0.04 0.00 0.00 177.00 176.96 2woe s SER 5 N -0.53 1.78 0.21 6.66 1.04 -1.26 -4.78 113.70 116.83 2woe s SER 5 Ca 0.39 1.73 -0.09 0.00 0.48 0.00 0.00 55.95 58.46 2woe s SER 5 Cb -0.22 -2.37 0.31 0.00 0.10 0.00 0.00 66.02 63.83 2woe s SER 5 CO 0.26 -3.73 1.72 0.58 0.98 0.00 0.00 173.24 173.05 2woe h VAL 6 N -2.30 0.68 -0.57 5.02 2.07 -1.98 -0.71 116.25 118.45 2woe h VAL 6 Ca -0.55 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2woe h VAL 6 Cb 1.31 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2woe h VAL 6 CO 0.48 0.06 0.23 -0.74 0.02 0.00 0.00 177.57 177.61 2woe h HIS 7 N 0.32 0.87 -0.43 1.57 -0.00 -1.97 -0.05 115.15 115.47 2woe h HIS 7 Ca 0.32 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 2woe h HIS 7 Cb 0.46 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 2woe h HIS 7 CO -0.22 0.70 0.13 -0.44 -0.00 0.00 0.00 177.93 178.11 2woe h ASP 8 N 0.78 0.57 -0.11 3.26 3.32 -1.76 0.58 116.42 123.06 2woe h ASP 8 Ca 0.19 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 2woe h ASP 8 Cb 0.20 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2woe h ASP 8 CO -0.02 0.55 -0.42 0.03 -1.72 0.00 0.00 179.24 177.66 2woe h ARG 9 N 0.61 0.49 -0.19 3.56 3.08 -0.67 0.13 114.38 121.40 2woe h ARG 9 Ca 0.14 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2woe h ARG 9 Cb 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2woe h ARG 9 CO -0.01 1.00 0.04 0.00 -1.07 0.00 0.00 179.97 179.92 2woe h ALA 10 N 0.49 0.25 -0.60 0.04 0.00 -0.82 0.20 119.26 118.81 2woe h ALA 10 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2woe h ALA 10 Cb 1.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2woe h ALA 10 CO 0.09 -0.09 0.30 1.25 0.00 0.00 0.00 179.25 180.80 2woe h LEU 11 N 0.10 0.78 -0.82 0.00 5.85 -0.96 -2.37 115.31 117.89 2woe h LEU 11 Ca 0.06 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2woe h LEU 11 Cb 0.30 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2woe h LEU 11 CO 0.00 0.68 0.50 1.23 -0.34 0.00 0.00 178.44 180.52 2woe h GLY 12 N 0.82 1.23 0.94 3.75 0.00 -0.46 0.51 103.07 109.85 2woe h GLY 12 Ca 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2woe h GLY 12 CO -0.03 0.25 0.13 0.00 0.00 0.00 0.00 176.54 176.89 2woe h ALA 13 N 1.39 0.52 0.18 3.60 0.00 -0.27 0.30 119.26 124.97 2woe h ALA 13 Ca 0.36 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2woe h ALA 13 Cb 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.82 2woe h ALA 13 CO -0.17 0.16 -1.03 0.35 0.00 0.00 0.00 179.25 178.56 2woe h PHE 14 N 0.49 0.69 -0.23 0.00 -0.00 -1.20 -0.34 116.94 116.35 2woe h PHE 14 Ca 0.13 -0.50 -0.12 0.00 -0.00 0.00 0.00 57.97 57.48 2woe h PHE 14 Cb 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.16 2woe h PHE 14 CO 0.01 1.39 -0.35 -0.07 -0.00 0.00 0.00 178.31 179.30 2woe h LEU 15 N -0.21 0.51 -0.50 0.59 3.38 -0.98 -2.51 115.31 115.59 2woe h LEU 15 Ca -0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2woe h LEU 15 Cb 1.82 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2woe h LEU 15 CO 0.19 0.82 0.30 1.23 0.09 0.00 0.00 178.44 181.07 2woe h GLY 16 N 1.07 0.73 0.55 0.83 0.00 -0.40 0.08 103.07 105.93 2woe h GLY 16 Ca 0.05 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.13 2woe h GLY 16 CO 0.07 0.30 0.08 -2.00 0.00 0.00 0.00 176.54 174.98 2woe h LEU 17 N 0.67 0.02 -0.52 3.11 6.46 -0.88 0.73 115.31 124.90 2woe h LEU 17 Ca 0.18 0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.91 2woe h LEU 17 Cb -0.00 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 2woe h LEU 17 CO -0.03 0.05 -0.02 0.00 -0.62 0.00 0.00 178.44 177.82 2woe h ALA 18 N 1.28 0.70 -0.43 1.25 0.00 -1.13 -1.40 119.26 119.53 2woe h ALA 18 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2woe h ALA 18 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2woe h ALA 18 CO -0.23 0.53 0.24 0.28 0.00 0.00 0.00 179.25 180.07 2woe h VAL 19 N 0.80 1.15 -0.33 0.00 2.07 -0.68 -1.20 116.25 118.06 2woe h VAL 19 Ca 0.15 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2woe h VAL 19 Cb 0.55 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2woe h VAL 19 CO 0.03 0.15 0.17 1.23 0.02 0.00 0.00 177.57 179.17 2woe h GLY 20 N 0.56 0.44 0.28 2.17 0.00 -0.67 0.72 103.07 106.56 2woe h GLY 20 Ca 0.15 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.39 2woe h GLY 20 CO -0.03 0.10 -0.37 -1.80 0.00 0.00 0.00 176.54 174.45 2woe h ASP 21 N 0.35 -1.09 -0.58 0.19 1.82 -1.15 0.59 116.42 116.55 2woe h ASP 21 Ca 0.13 0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.87 2woe h ASP 21 Cb 0.04 0.43 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 2woe h ASP 21 CO -0.08 -0.43 0.21 0.00 -1.61 0.00 0.00 179.24 177.32 2woe h ALA 22 N 0.07 0.75 -0.11 -0.78 0.00 -0.98 0.09 119.26 118.30 2woe h ALA 22 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2woe h ALA 22 Cb 0.61 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2woe h ALA 22 CO -0.26 0.39 -0.06 1.25 0.00 0.00 0.00 179.25 180.57 2woe h LEU 23 N 0.81 0.24 -1.10 0.00 5.85 -0.80 -3.22 115.31 117.09 2woe h LEU 23 Ca 0.19 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 2woe h LEU 23 Cb 0.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2woe h LEU 23 CO -0.01 0.61 -0.42 1.23 -0.34 0.00 0.00 178.44 179.51 2woe h GLY 24 N -0.14 0.06 1.10 3.75 0.00 -0.81 -3.24 103.07 103.79 2woe h GLY 24 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 47.33 47.38 2woe h GLY 24 CO 0.02 0.05 0.38 0.00 0.00 0.00 0.00 176.54 177.00 2woe h ALA 25 N 1.53 2.00 -0.78 3.60 0.00 -0.98 -0.69 119.26 123.93 2woe h ALA 25 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2woe h ALA 25 Cb 0.77 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2woe h ALA 25 CO 0.06 -0.12 0.51 1.15 0.00 0.00 0.00 179.25 180.85 2woe h THR 26 N 0.41 1.02 -0.37 0.00 2.02 -1.68 -2.98 112.91 111.33 2woe h THR 26 Ca 0.26 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2woe h THR 26 Cb 0.49 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2woe h THR 26 CO -0.07 0.15 0.00 1.33 0.37 0.00 0.00 175.52 177.30 2woe n VAL 27 N -4.49 1.32 -1.74 3.16 0.24 -0.33 -3.92 118.33 112.56 2woe n VAL 27 Ca 0.12 -1.19 -0.42 0.00 -2.04 0.00 0.00 64.34 60.81 2woe n VAL 27 Cb 0.23 0.32 -0.01 0.00 -1.47 0.00 0.00 33.84 32.92 2woe n VAL 27 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2woe n GLU 28 N 0.42 2.52 -1.11 7.34 2.13 -0.79 -2.06 120.64 129.09 2woe n GLU 28 Ca 0.15 0.89 -0.04 0.00 0.66 0.00 0.00 57.16 58.82 2woe n GLU 28 Cb 0.56 -2.60 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 2woe n GLU 28 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2woe n PHE 29 N 0.97 0.00 -4.14 4.31 3.01 0.00 -4.69 117.46 116.92 2woe n PHE 29 Ca 0.05 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.18 2woe n PHE 29 Cb 0.37 -1.47 -0.07 0.00 -0.01 0.00 0.00 39.48 38.29 2woe n PHE 29 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 2woe s MET 30 N -1.75 2.99 0.57 -1.08 -1.94 -0.87 -4.90 119.30 112.32 2woe s MET 30 Ca 0.00 -0.52 -0.15 0.00 -1.71 0.00 0.00 55.69 53.31 2woe s MET 30 Cb 0.00 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.98 2woe s MET 30 CO 0.00 0.64 1.02 0.95 -0.01 0.00 0.00 175.02 177.62 2woe s THR 31 N -1.17 4.37 0.28 2.05 -4.23 -1.26 -1.19 115.64 114.48 2woe s THR 31 Ca 0.22 1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.74 2woe s THR 31 Cb -0.12 -3.65 0.32 0.00 1.34 0.00 0.00 72.50 70.39 2woe s THR 31 CO 0.13 -0.76 1.63 0.50 -0.54 0.00 0.00 174.62 175.58 2woe h LYS 32 N 0.42 0.12 -0.62 3.99 3.64 -1.77 -0.07 116.57 122.28 2woe h LYS 32 Ca -0.46 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.82 2woe h LYS 32 Cb 1.20 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2woe h LYS 32 CO 0.60 0.08 0.01 0.78 -2.27 0.00 0.00 179.45 178.66 2woe h GLY 33 N 0.13 1.16 1.25 5.01 0.00 -1.91 -1.47 103.07 107.24 2woe h GLY 33 Ca 0.51 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2woe h GLY 33 CO -0.71 0.77 -0.00 0.83 0.00 0.00 0.00 176.54 177.43 2woe h GLU 34 N 0.98 0.91 -0.15 4.80 5.08 -1.55 -1.40 114.58 123.26 2woe h GLU 34 Ca 0.18 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2woe h GLU 34 Cb 0.54 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2woe h GLU 34 CO 0.03 0.90 0.05 0.82 -1.00 0.00 0.00 179.01 179.81 2woe h ILE 35 N 0.84 1.18 -0.69 3.13 2.04 -0.96 -1.42 117.51 121.63 2woe h ILE 35 Ca 0.16 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2woe h ILE 35 Cb 0.50 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 2woe h ILE 35 CO 0.02 0.17 0.38 0.00 0.00 0.00 0.00 178.15 178.73 2woe h ALA 36 N 0.86 0.93 -0.36 1.87 0.00 -1.06 0.67 119.26 122.18 2woe h ALA 36 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2woe h ALA 36 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2woe h ALA 36 CO -0.00 0.05 -0.13 0.37 0.00 0.00 0.00 179.25 179.54 2woe h GLN 37 N 0.70 0.73 0.19 0.00 4.15 -1.16 -0.71 115.11 119.00 2woe h GLN 37 Ca 0.31 -0.30 -0.26 0.00 0.77 0.00 0.00 58.65 59.17 2woe h GLN 37 Cb 0.21 -0.03 0.03 0.00 0.21 0.00 0.00 27.48 27.90 2woe h GLN 37 CO -0.19 0.90 -1.18 0.37 -1.93 0.00 0.00 178.83 176.79 2woe h GLN 38 N 0.52 0.40 0.00 1.69 4.15 -0.90 -3.41 115.11 117.56 2woe h GLN 38 Ca 0.09 -0.68 -0.11 0.00 0.77 0.00 0.00 58.65 58.72 2woe h GLN 38 Cb 0.66 0.25 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 2woe h GLN 38 CO 0.04 1.32 -1.69 0.66 -1.93 0.00 0.00 178.83 177.24 2woe n TYR 39 N -3.92 0.00 0.00 3.99 4.01 0.23 -5.04 117.16 116.43 2woe n TYR 39 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2woe n TYR 39 Cb 0.96 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2woe n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2woe n GLY 40 N 2.02 2.26 2.83 2.72 0.00 -0.27 -4.49 105.19 110.26 2woe n GLY 40 Ca -0.11 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 2woe n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2woe s ILE 41 N 0.00 0.77 -0.20 -0.61 1.01 -1.26 -4.31 121.20 116.60 2woe s ILE 41 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2woe s ILE 41 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2woe s ILE 41 CO 0.00 0.16 1.38 -2.28 0.00 0.00 0.00 174.94 174.20 2woe s HIS 42 N 1.79 2.56 0.00 3.97 5.65 -1.26 -4.84 115.29 123.16 2woe s HIS 42 Ca 0.03 0.78 0.02 0.00 0.25 0.00 0.00 55.06 56.14 2woe s HIS 42 Cb -0.14 -3.75 0.04 0.00 -1.18 0.00 0.00 32.58 27.55 2woe s HIS 42 CO -0.07 -2.20 0.78 2.89 -0.65 0.00 0.00 174.74 175.49 2woe n ARG 43 N 7.05 0.00 -3.84 2.88 1.85 -1.26 -4.80 116.66 118.54 2woe n ARG 43 Ca 0.15 -0.62 -0.09 0.00 -1.00 0.00 0.00 57.85 56.29 2woe n ARG 43 Cb 0.45 -0.06 -0.07 0.00 -1.05 0.00 0.00 32.46 31.73 2woe n ARG 43 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2woe s LYS 44 N 0.00 0.82 -1.00 2.89 -2.85 -1.26 -5.04 119.74 113.30 2woe s LYS 44 Ca 0.03 -0.86 -0.23 0.00 -1.00 0.00 0.00 55.97 53.91 2woe s LYS 44 Cb 0.04 0.34 0.04 0.00 -2.06 0.00 0.00 37.83 36.19 2woe s LYS 44 CO -0.02 -0.26 1.48 -1.64 0.10 0.00 0.00 175.35 175.02 2woe s MET 45 N -3.55 3.49 0.00 1.78 -1.94 -1.26 -4.75 119.30 113.07 2woe s MET 45 Ca 0.02 -1.02 0.11 0.00 -1.71 0.00 0.00 55.69 53.10 2woe s MET 45 Cb 0.03 -5.30 0.20 0.00 2.01 0.00 0.00 34.83 31.78 2woe s MET 45 CO -0.09 -2.30 1.06 0.25 -0.01 0.00 0.00 175.02 173.93 2woe n THR 46 N 6.95 0.49 -4.98 2.05 -2.24 -1.26 -4.32 114.28 110.97 2woe n THR 46 Ca 0.33 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2woe n THR 46 Cb 0.51 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 2woe n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2woe n GLY 47 N 0.60 2.72 7.00 3.38 0.00 -1.26 -4.48 105.19 113.15 2woe n GLY 47 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2woe n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 48 N 0.00 1.99 7.00 -0.02 0.00 0.26 -4.58 105.19 109.85 2woe n GLY 48 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2woe n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 49 N 0.00 -1.42 0.23 -0.02 0.00 -1.25 -1.43 105.19 101.30 2woe n GLY 49 Ca 0.00 -1.19 0.10 0.00 0.00 0.00 0.00 46.02 44.93 2woe n GLY 49 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2woe h TRP 50 N 0.00 0.00 -0.00 1.61 5.08 -1.82 -1.16 115.95 119.66 2woe h TRP 50 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2woe h TRP 50 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2woe h TRP 50 CO 0.00 0.22 -0.22 1.28 -1.28 0.00 0.00 178.44 178.44 2woe n LEU 51 N -3.59 0.36 -3.50 0.11 4.77 -1.26 -4.97 117.00 108.92 2woe n LEU 51 Ca -0.01 0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.92 2woe n LEU 51 Cb 0.36 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2woe n LEU 51 CO 0.33 0.08 0.02 0.54 -1.33 0.00 0.00 177.39 177.03 2woe n ARG 52 N -1.30 -4.84 -1.82 3.23 1.74 -0.44 -4.95 116.66 108.28 2woe n ARG 52 Ca 0.09 0.75 -0.31 0.00 -0.77 0.00 0.00 57.85 57.61 2woe n ARG 52 Cb 0.32 -5.51 0.02 0.00 -1.02 0.00 0.00 32.46 26.26 2woe n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2woe s LEU 53 N -6.28 3.22 0.48 0.55 1.43 -0.52 -4.63 118.68 112.93 2woe s LEU 53 Ca 0.12 1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 54.50 2woe s LEU 53 Cb -0.02 -4.48 -0.09 0.00 0.03 0.00 0.00 46.19 41.63 2woe s LEU 53 CO 0.77 -0.99 0.99 -0.54 0.23 0.00 0.00 176.35 176.80 2woe s LYS 54 N -5.10 4.00 0.08 1.70 1.02 -1.26 -0.58 119.74 119.61 2woe s LYS 54 Ca 0.56 1.14 -0.36 0.00 0.02 0.00 0.00 55.97 57.33 2woe s LYS 54 Cb -0.12 -2.14 -0.15 0.00 -0.52 0.00 0.00 37.83 34.90 2woe s LYS 54 CO 0.53 -0.23 1.48 -2.30 -0.92 0.00 0.00 175.35 173.91 2woe n PRO 55 N -1.05 1.58 -0.99 -1.68 -0.02 -1.26 -1.10 135.00 130.49 2woe n PRO 55 Ca 0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2woe n PRO 55 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2woe n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2woe n GLY 56 N 3.06 0.77 3.71 -1.23 0.00 -1.26 -4.84 105.19 105.41 2woe n GLY 56 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2woe n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2woe s GLN 57 N -0.01 4.44 0.67 1.61 0.74 -0.26 -4.29 119.66 122.55 2woe s GLN 57 Ca 0.00 1.78 -0.06 0.00 0.05 0.00 0.00 55.36 57.13 2woe s GLN 57 Cb 0.00 -3.34 0.05 0.00 1.10 0.00 0.00 33.01 30.82 2woe s GLN 57 CO 0.00 -0.24 0.98 0.96 -0.55 0.00 0.00 175.29 176.43 2woe s ILE 58 N 0.98 2.54 0.00 -2.34 -5.25 -1.26 -4.32 121.20 111.54 2woe s ILE 58 Ca 0.58 -0.25 0.00 0.00 -0.99 0.00 0.00 60.65 59.99 2woe s ILE 58 Cb -0.30 -3.08 0.00 0.00 2.95 0.00 0.00 42.46 42.04 2woe s ILE 58 CO 0.30 -0.08 0.00 0.35 -1.79 0.00 0.00 174.94 173.72 2woe n THR 59 N -2.82 0.00 0.22 8.37 -2.24 -1.26 -4.98 114.28 111.57 2woe n THR 59 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 2woe n THR 59 Cb 0.60 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.27 2woe n THR 59 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2woe h ASP 60 N 0.00 0.00 -0.32 3.42 2.03 -1.99 -2.36 116.42 117.20 2woe h ASP 60 Ca 0.00 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.34 2woe h ASP 60 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 2woe h ASP 60 CO 0.00 0.24 0.09 0.44 -1.03 0.00 0.00 179.24 178.99 2woe h ASP 61 N 0.00 0.08 0.05 4.15 3.32 -1.93 -0.49 116.42 121.60 2woe h ASP 61 Ca -0.00 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 2woe h ASP 61 Cb 0.76 0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.37 2woe h ASP 61 CO 0.03 0.08 -0.69 0.74 -1.72 0.00 0.00 179.24 177.68 2woe h THR 62 N 0.22 1.45 -0.63 0.35 2.02 -1.85 -2.86 112.91 111.62 2woe h THR 62 Ca 0.15 -2.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.04 2woe h THR 62 Cb 0.14 2.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 2woe h THR 62 CO -0.17 0.65 0.19 -0.33 0.37 0.00 0.00 175.52 176.23 2woe h GLU 63 N -0.18 0.99 -0.27 6.66 5.08 -1.37 0.33 114.58 125.83 2woe h GLU 63 Ca -0.10 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.90 2woe h GLU 63 Cb 1.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2woe h GLU 63 CO 0.13 0.87 -0.43 0.52 -1.00 0.00 0.00 179.01 179.11 2woe h MET 64 N 0.91 0.66 -0.76 2.33 2.86 -1.20 0.50 114.93 120.23 2woe h MET 64 Ca 0.20 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2woe h MET 64 Cb 0.30 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 2woe h MET 64 CO -0.01 0.96 0.48 0.77 1.06 0.00 0.00 176.91 180.18 2woe h SER 65 N 0.53 0.80 -0.16 1.22 0.02 -1.24 -1.33 113.55 113.41 2woe h SER 65 Ca 0.04 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2woe h SER 65 Cb 0.97 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2woe h SER 65 CO 0.09 0.56 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.02 2woe h LEU 66 N 0.95 0.62 -0.61 5.07 3.38 -0.55 -1.06 115.31 123.11 2woe h LEU 66 Ca 0.30 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2woe h LEU 66 Cb -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2woe h LEU 66 CO -0.10 0.85 0.15 0.00 0.09 0.00 0.00 178.44 179.43 2woe h ALA 67 N 1.19 0.80 0.08 1.53 0.00 -0.57 -0.81 119.26 121.49 2woe h ALA 67 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2woe h ALA 67 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2woe h ALA 67 CO 0.05 0.51 -0.04 1.25 0.00 0.00 0.00 179.25 181.03 2woe h LEU 68 N 0.89 -0.09 -1.53 0.00 5.85 -1.06 -2.98 115.31 116.39 2woe h LEU 68 Ca 0.19 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2woe h LEU 68 Cb 0.35 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2woe h LEU 68 CO 0.00 0.23 0.21 1.23 -0.34 0.00 0.00 178.44 179.78 2woe h GLY 69 N -0.43 0.56 0.91 3.75 0.00 -1.19 -1.63 103.07 105.03 2woe h GLY 69 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.11 2woe h GLY 69 CO 0.02 0.22 0.35 -0.09 0.00 0.00 0.00 176.54 177.04 2woe h ARG 70 N 0.53 0.68 -0.17 4.80 2.43 -1.11 -0.04 114.38 121.50 2woe h ARG 70 Ca 0.14 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2woe h ARG 70 Cb 0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2woe h ARG 70 CO -0.02 0.45 -0.04 1.03 -1.51 0.00 0.00 179.97 179.87 2woe h SER 71 N 0.70 0.33 -0.63 -3.80 0.87 -1.21 -0.57 113.55 109.23 2woe h SER 71 Ca 0.22 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.45 2woe h SER 71 Cb -0.01 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 2woe h SER 71 CO -0.08 0.62 0.37 -0.07 -0.53 0.00 0.00 176.83 177.14 2woe h LEU 72 N 0.03 0.57 -0.21 2.23 3.38 -1.18 -0.72 115.31 119.41 2woe h LEU 72 Ca 0.04 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2woe h LEU 72 Cb 0.48 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2woe h LEU 72 CO 0.02 0.39 -0.15 0.00 0.09 0.00 0.00 178.44 178.78 2woe h ALA 73 N 1.30 0.30 -0.73 1.53 0.00 -0.99 -0.19 119.26 120.48 2woe h ALA 73 Ca 0.27 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2woe h ALA 73 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2woe h ALA 73 CO -0.14 0.19 0.30 0.00 0.00 0.00 0.00 179.25 179.59 2woe h ALA 74 N 0.67 0.94 0.00 0.00 0.00 -0.85 -3.22 119.26 116.81 2woe h ALA 74 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2woe h ALA 74 Cb 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2woe h ALA 74 CO 0.04 0.56 -1.22 1.63 0.00 0.00 0.00 179.25 180.25 2woe n LYS 75 N -4.35 0.52 -1.38 0.00 4.76 -0.30 -4.97 118.16 112.43 2woe n LYS 75 Ca 0.06 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 2woe n LYS 75 Cb 0.17 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.62 2woe n LYS 75 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2woe n GLY 76 N 1.26 1.36 3.77 0.72 0.00 -0.08 -4.92 105.19 107.29 2woe n GLY 76 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2woe n GLY 76 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2woe s THR 77 N -2.48 0.00 -0.21 2.61 -1.32 -1.21 -5.05 115.64 107.97 2woe s THR 77 Ca 0.00 -0.35 -0.29 0.00 -1.21 0.00 0.00 61.69 59.84 2woe s THR 77 Cb 0.00 -2.37 -0.00 0.00 -1.51 0.00 0.00 72.50 68.62 2woe s THR 77 CO 0.00 0.00 1.19 -0.22 -2.21 0.00 0.00 174.62 173.38 2woe s LEU 78 N -3.23 4.10 -0.36 9.08 2.96 -1.26 -4.53 118.68 125.45 2woe s LEU 78 Ca 0.19 1.49 0.01 0.00 -0.22 0.00 0.00 54.13 55.60 2woe s LEU 78 Cb 0.01 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.28 2woe s LEU 78 CO -0.00 -0.78 0.14 -0.62 -1.32 0.00 0.00 176.35 173.76 2woe s ASP 79 N 1.82 4.00 0.23 3.68 -1.08 -1.26 -5.02 116.67 119.03 2woe s ASP 79 Ca 0.51 -2.02 -0.05 0.00 -0.52 0.00 0.00 52.55 50.47 2woe s ASP 79 Cb -0.18 -1.01 0.24 0.00 -1.46 0.00 0.00 42.92 40.50 2woe s ASP 79 CO 0.13 -0.36 1.72 1.62 0.52 0.00 0.00 175.17 178.80 2woe h VAL 80 N 6.10 1.25 -0.84 1.11 3.04 -1.96 -0.91 116.25 124.05 2woe h VAL 80 Ca -0.08 -1.05 -0.04 0.00 -1.01 0.00 0.00 66.70 64.53 2woe h VAL 80 Cb 0.99 0.82 -0.04 0.00 -2.01 0.00 0.00 31.29 31.04 2woe h VAL 80 CO 0.48 0.38 0.38 0.00 -1.01 0.00 0.00 177.57 177.80 2woe h ALA 81 N 1.17 1.09 -0.61 3.17 0.00 -1.95 -0.73 119.26 121.40 2woe h ALA 81 Ca 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2woe h ALA 81 Cb 0.47 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2woe h ALA 81 CO 0.02 0.67 0.15 0.22 0.00 0.00 0.00 179.25 180.31 2woe h ASP 82 N 1.20 0.92 -0.60 0.00 1.82 -1.81 -0.24 116.42 117.72 2woe h ASP 82 Ca 0.29 -0.23 0.02 0.00 -0.39 0.00 0.00 57.03 56.72 2woe h ASP 82 Cb 0.15 -0.24 -0.04 0.00 0.68 0.00 0.00 39.33 39.88 2woe h ASP 82 CO -0.03 0.91 0.37 0.40 -1.61 0.00 0.00 179.24 179.28 2woe h ILE 83 N 0.89 1.08 -0.99 2.25 2.04 -0.91 -0.62 117.51 121.25 2woe h ILE 83 Ca 0.19 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2woe h ILE 83 Cb 0.35 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2woe h ILE 83 CO 0.00 0.13 0.65 0.00 0.00 0.00 0.00 178.15 178.94 2woe h GLU 85 N 1.29 0.42 -0.91 0.00 4.39 -0.36 0.55 114.58 119.95 2woe h GLU 85 Ca 0.38 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2woe h GLU 85 Cb -0.06 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 2woe h GLU 85 CO -0.10 0.45 0.58 0.93 -1.16 0.00 0.00 179.01 179.71 2woe h GLU 86 N 0.29 1.22 -0.63 2.33 4.39 -0.79 0.48 114.58 121.86 2woe h GLU 86 Ca 0.09 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2woe h GLU 86 Cb 0.20 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2woe h GLU 86 CO -0.01 0.82 0.20 0.74 -1.16 0.00 0.00 179.01 179.61 2woe h PHE 87 N 1.24 1.02 -0.08 4.33 0.04 -0.76 -0.20 116.94 122.53 2woe h PHE 87 Ca 0.33 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 2woe h PHE 87 Cb -0.11 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.74 2woe h PHE 87 CO -0.00 0.83 0.05 0.00 -0.60 0.00 0.00 178.31 178.58 2woe h ALA 88 N 1.07 0.10 -1.00 2.45 0.00 -0.41 0.41 119.26 121.89 2woe h ALA 88 Ca 0.20 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2woe h ALA 88 Cb 0.29 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2woe h ALA 88 CO -0.01 -0.37 0.65 -0.07 0.00 0.00 0.00 179.25 179.45 2woe h LEU 89 N 0.05 1.08 0.04 0.00 3.38 -0.83 -0.35 115.31 118.69 2woe h LEU 89 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2woe h LEU 89 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2woe h LEU 89 CO -0.00 0.73 -0.02 -0.25 0.09 0.00 0.00 178.44 178.98 2woe h TRP 90 N 1.25 -0.06 -0.89 1.13 7.01 -0.72 -2.28 115.95 121.38 2woe h TRP 90 Ca 0.40 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.45 2woe h TRP 90 Cb 0.03 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.05 2woe h TRP 90 CO -0.00 0.02 0.58 1.25 -2.79 0.00 0.00 178.44 177.50 2woe h LEU 91 N -0.11 0.92 -0.08 0.65 5.85 -0.44 -0.32 115.31 121.78 2woe h LEU 91 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2woe h LEU 91 Cb 0.10 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2woe h LEU 91 CO 0.01 0.62 0.00 0.29 -0.34 0.00 0.00 178.44 179.02 2woe n LYS 92 N -4.47 0.03 -0.05 1.25 5.02 -0.18 -3.48 118.16 116.29 2woe n LYS 92 Ca 0.13 0.21 0.06 0.00 -2.02 0.00 0.00 58.31 56.68 2woe n LYS 92 Cb 0.15 -1.56 0.26 0.00 -0.02 0.00 0.00 35.03 33.86 2woe n LYS 92 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2woe n SER 93 N -1.62 0.61 -3.31 4.39 3.41 -0.13 -4.92 113.62 112.05 2woe n SER 93 Ca 0.04 -1.77 -0.17 0.00 -0.26 0.00 0.00 58.87 56.71 2woe n SER 93 Cb 0.23 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 2woe n SER 93 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2woe n ARG 94 N -0.27 -2.54 -1.61 4.33 0.63 -1.23 -4.95 116.66 111.02 2woe n ARG 94 Ca 0.09 0.82 -0.34 0.00 -0.92 0.00 0.00 57.85 57.51 2woe n ARG 94 Cb 0.13 -5.67 0.07 0.00 0.45 0.00 0.00 32.46 27.44 2woe n ARG 94 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2woe s PRO 95 N -4.65 2.48 0.44 -0.14 0.04 -1.26 -4.90 135.00 127.01 2woe s PRO 95 Ca 0.42 1.58 0.10 0.00 0.04 0.00 0.00 61.00 63.14 2woe s PRO 95 Cb -0.06 -1.89 0.99 0.00 0.04 0.00 0.00 34.50 33.57 2woe s PRO 95 CO 0.75 -1.54 2.08 -0.24 0.04 0.00 0.00 177.00 178.10 2woe h VAL 96 N -0.10 1.06 -2.65 -0.36 3.04 -1.93 -3.43 116.25 111.88 2woe h VAL 96 Ca -0.47 -0.13 -0.10 0.00 -1.01 0.00 0.00 66.70 64.98 2woe h VAL 96 Cb 1.27 0.64 -0.22 0.00 -2.01 0.00 0.00 31.29 30.98 2woe h VAL 96 CO 0.52 0.07 -0.15 0.21 -1.01 0.00 0.00 177.57 177.21 2woe s ASN 97 N -6.77 -0.42 0.00 3.17 2.47 -1.26 -5.08 114.94 107.05 2woe s ASN 97 Ca -0.07 0.66 0.00 0.00 0.42 0.00 0.00 52.86 53.87 2woe s ASN 97 Cb 0.17 0.71 -0.00 0.00 -1.45 0.00 0.00 41.25 40.68 2woe s ASN 97 CO 0.71 -0.30 -0.01 0.54 -3.72 0.00 0.00 177.10 174.32 2woe s VAL 98 N -0.40 0.04 0.45 -5.21 0.11 -1.26 -4.29 120.40 109.83 2woe s VAL 98 Ca -0.05 -0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 58.63 2woe s VAL 98 Cb -0.03 -0.06 -0.08 0.00 -1.53 0.00 0.00 36.38 34.68 2woe s VAL 98 CO 0.03 -0.06 1.14 -0.83 -3.33 0.00 0.00 175.10 172.05 2woe s GLY 99 N -0.21 2.77 0.24 6.54 0.00 -1.26 -4.88 107.32 110.52 2woe s GLY 99 Ca -0.02 0.88 -0.07 0.00 0.00 0.00 0.00 44.72 45.51 2woe s GLY 99 CO -0.00 1.34 1.91 3.43 0.00 0.00 0.00 173.10 179.77 2woe h ASN 100 N 2.15 1.03 0.12 1.64 2.35 -2.01 0.29 115.58 121.14 2woe h ASN 100 Ca -0.49 -0.02 -0.29 0.00 -0.55 0.00 0.00 56.30 54.94 2woe h ASN 100 Cb 1.24 -0.25 0.03 0.00 0.05 0.00 0.00 38.32 39.39 2woe h ASN 100 CO 0.61 0.74 -1.22 0.74 -1.65 0.00 0.00 177.43 176.65 2woe h THR 101 N 1.21 1.29 -0.29 2.81 2.02 -1.93 -2.23 112.91 115.78 2woe h THR 101 Ca 0.34 -2.45 0.06 0.00 0.77 0.00 0.00 66.41 65.13 2woe h THR 101 Cb -0.11 2.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.96 2woe h THR 101 CO -0.08 0.74 -0.06 0.00 0.37 0.00 0.00 175.52 176.48 2woe h ARG 103 N 0.01 -0.19 -0.77 0.00 2.43 -0.42 -1.14 114.38 114.29 2woe h ARG 103 Ca 0.14 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2woe h ARG 103 Cb 0.21 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2woe h ARG 103 CO -0.29 -0.13 0.39 -0.09 -1.51 0.00 0.00 179.97 178.34 2woe h ARG 104 N -0.20 1.10 -0.38 0.20 2.43 -1.19 -0.04 114.38 116.29 2woe h ARG 104 Ca 0.11 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2woe h ARG 104 Cb 0.36 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2woe h ARG 104 CO -0.28 0.84 -0.04 0.78 -1.51 0.00 0.00 179.97 179.76 2woe h GLY 105 N 1.08 0.77 1.02 2.80 0.00 -0.86 -1.34 103.07 106.55 2woe h GLY 105 Ca 0.27 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 2woe h GLY 105 CO -0.04 0.55 -0.16 -2.22 0.00 0.00 0.00 176.54 174.67 2woe h ILE 106 N 0.52 1.28 -0.94 2.60 2.04 -0.98 -2.21 117.51 119.81 2woe h ILE 106 Ca 0.10 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.69 2woe h ILE 106 Cb 0.54 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 2woe h ILE 106 CO 0.03 0.44 0.62 0.03 0.00 0.00 0.00 178.15 179.27 2woe h ARG 107 N 0.67 1.23 0.15 2.37 3.08 -0.98 -0.27 114.38 120.62 2woe h ARG 107 Ca 0.10 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2woe h ARG 107 Cb 0.71 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2woe h ARG 107 CO 0.05 0.81 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.57 2woe h ARG 108 N 1.27 -0.24 -0.13 0.04 2.43 -0.99 -1.83 114.38 114.92 2woe h ARG 108 Ca 0.35 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 2woe h ARG 108 Cb -0.14 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 2woe h ARG 108 CO -0.08 -0.16 -0.13 -0.92 -1.51 0.00 0.00 179.97 177.17 2woe h TYR 109 N -0.25 -0.32 -0.91 2.20 3.20 -1.10 0.42 116.97 120.21 2woe h TYR 109 Ca -0.01 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.01 2woe h TYR 109 Cb 0.22 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 2woe h TYR 109 CO -0.10 -0.19 0.59 0.52 -1.64 0.00 0.00 178.16 177.34 2woe h MET 110 N -0.15 0.79 0.03 1.82 2.86 -0.82 0.29 114.93 119.75 2woe h MET 110 Ca 0.09 -0.05 -0.37 0.00 -2.06 0.00 0.00 59.70 57.31 2woe h MET 110 Cb 0.28 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2woe h MET 110 CO -0.22 0.52 -2.27 1.58 1.06 0.00 0.00 176.91 177.58 2woe n HIS 111 N -4.57 0.42 -0.01 -0.22 -0.00 -0.71 -4.55 115.22 105.58 2woe n HIS 111 Ca 0.17 0.10 0.09 0.00 -0.00 0.00 0.00 57.72 58.08 2woe n HIS 111 Cb 0.40 -1.06 -0.15 0.00 -0.00 0.00 0.00 29.99 29.18 2woe n HIS 111 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2woe n GLU 112 N -3.21 0.60 -0.98 1.57 1.02 0.14 -5.00 120.64 114.79 2woe n GLU 112 Ca -0.37 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 2woe n GLU 112 Cb 1.04 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 2woe n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2woe n GLY 113 N 1.42 0.73 3.71 0.62 0.00 0.10 -5.00 105.19 106.78 2woe n GLY 113 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2woe n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2woe s THR 114 N -2.98 4.93 -2.47 2.61 -4.23 -1.26 -4.96 115.64 107.27 2woe s THR 114 Ca 0.00 1.85 0.26 0.00 -1.18 0.00 0.00 61.69 62.62 2woe s THR 114 Cb 0.00 -4.22 0.36 0.00 1.34 0.00 0.00 72.50 69.98 2woe s THR 114 CO 0.00 0.19 1.53 0.35 -0.54 0.00 0.00 174.62 176.15 2woe n THR 115 N 3.87 0.00 -4.06 3.99 -2.24 -1.26 -3.88 114.28 110.70 2woe n THR 115 Ca 0.04 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 2woe n THR 115 Cb 0.51 0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 69.44 2woe n THR 115 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2woe s THR 116 N -2.12 0.46 0.15 4.28 -1.32 -1.26 -3.93 115.64 111.90 2woe s THR 116 Ca 0.31 -0.90 -0.15 0.00 -1.21 0.00 0.00 61.69 59.74 2woe s THR 116 Cb 0.20 -0.52 -0.07 0.00 -1.51 0.00 0.00 72.50 70.61 2woe s THR 116 CO 0.38 -0.31 0.57 0.00 -2.21 0.00 0.00 174.62 173.05 2woe s ALA 117 N -1.15 3.56 0.63 11.08 0.00 0.53 -4.96 121.76 131.44 2woe s ALA 117 Ca -0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 2woe s ALA 117 Cb -0.08 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2woe s ALA 117 CO 0.00 0.43 1.08 -1.25 0.00 0.00 0.00 175.76 176.02 2woe s PRO 118 N -1.91 3.06 0.27 0.00 0.04 -1.26 -4.67 135.00 130.54 2woe s PRO 118 Ca 0.38 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 2woe s PRO 118 Cb -0.15 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 2woe s PRO 118 CO 0.19 -1.02 1.45 0.98 0.04 0.00 0.00 177.00 178.64 2woe n TYR 119 N -2.32 2.38 -3.87 0.56 9.36 -1.26 -4.54 117.16 117.48 2woe n TYR 119 Ca 0.09 0.40 -0.12 0.00 3.32 0.00 0.00 57.90 61.59 2woe n TYR 119 Cb 0.53 -2.49 -0.14 0.00 -0.63 0.00 0.00 39.34 36.60 2woe n TYR 119 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2woe s SER 120 N 0.26 0.01 0.54 2.98 0.15 -1.19 -5.03 113.70 111.42 2woe s SER 120 Ca 0.65 -0.00 0.20 0.00 0.70 0.00 0.00 55.95 57.50 2woe s SER 120 Cb -0.59 -0.00 1.39 0.00 -1.71 0.00 0.00 66.02 65.11 2woe s SER 120 CO 0.51 0.00 2.15 -0.08 1.20 0.00 0.00 173.24 177.02 2woe h GLU 121 N 6.15 0.00 -0.42 5.44 4.22 -1.95 -1.63 114.58 126.38 2woe h GLU 121 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.20 2woe h GLU 121 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2woe h GLU 121 CO 0.51 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.75 2woe n GLY 122 N -1.51 0.86 1.64 1.92 0.00 -1.26 -4.14 105.19 102.70 2woe n GLY 122 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 2woe n GLY 122 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2woe n ASP 123 N 0.44 3.96 -1.18 1.61 9.92 -0.62 -4.41 116.55 126.28 2woe n ASP 123 Ca 0.11 -2.86 0.05 0.00 -0.53 0.00 0.00 54.79 51.57 2woe n ASP 123 Cb 0.35 -0.68 0.23 0.00 -0.64 0.00 0.00 41.12 40.38 2woe n ASP 123 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2woe n ALA 124 N -0.04 3.07 -1.10 2.24 0.00 -1.26 -4.50 120.51 118.91 2woe n ALA 124 Ca 0.29 -1.03 -0.29 0.00 0.00 0.00 0.00 53.44 52.42 2woe n ALA 124 Cb 1.09 -1.04 0.20 0.00 0.00 0.00 0.00 19.45 19.70 2woe n ALA 124 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2woe s GLY 125 N -0.62 1.56 -0.01 0.00 0.00 -1.26 -0.64 107.32 106.35 2woe s GLY 125 Ca 0.31 -0.51 0.19 0.00 0.00 0.00 0.00 44.72 44.72 2woe s GLY 125 CO 0.13 0.19 1.48 1.16 0.00 0.00 0.00 173.10 176.05 2woe n ASN 126 N -4.39 3.53 0.25 1.64 0.23 -0.09 -4.43 115.26 112.00 2woe n ASN 126 Ca 0.07 -2.05 0.12 0.00 -0.53 0.00 0.00 54.58 52.19 2woe n ASN 126 Cb 0.58 -0.44 0.64 0.00 -2.08 0.00 0.00 39.78 38.47 2woe n ASN 126 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2woe h GLY 127 N 4.58 0.00 0.66 4.83 0.00 -1.94 -1.49 103.07 109.71 2woe h GLY 127 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2woe h GLY 127 CO 0.03 0.00 -1.19 0.00 0.00 0.00 0.00 176.54 175.38 2woe h ALA 128 N 1.85 0.05 -0.28 3.60 0.00 -1.88 -3.37 119.26 119.22 2woe h ALA 128 Ca -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 2woe h ALA 128 Cb 0.49 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2woe h ALA 128 CO 0.02 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.94 2woe h ALA 129 N 0.02 1.53 0.00 0.00 0.00 -1.81 -2.92 119.26 116.07 2woe h ALA 129 Ca -0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2woe h ALA 129 Cb 1.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2woe h ALA 129 CO 0.11 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2woe h MET 130 N 0.41 0.00 -0.02 0.00 3.00 -1.43 -3.03 114.93 113.86 2woe h MET 130 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.79 2woe h MET 130 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.83 2woe h MET 130 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 176.91 179.80 2woe n ARG 131 N -2.61 2.96 0.00 -0.10 1.85 -1.10 -4.74 116.66 112.92 2woe n ARG 131 Ca -0.01 -1.55 0.13 0.00 -1.00 0.00 0.00 57.85 55.42 2woe n ARG 131 Cb 0.09 -1.02 0.62 0.00 -1.05 0.00 0.00 32.46 31.10 2woe n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2woe h LEU 133 N 0.00 0.03 -1.30 0.00 5.85 -1.85 -2.19 115.31 115.86 2woe h LEU 133 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2woe h LEU 133 Cb 0.36 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2woe h LEU 133 CO 0.00 0.05 0.49 -0.65 -0.34 0.00 0.00 178.44 177.99 2woe h PRO 134 N 0.23 0.90 -0.56 5.25 0.11 -1.86 0.31 132.00 136.37 2woe h PRO 134 Ca 0.21 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 2woe h PRO 134 Cb 0.25 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 2woe h PRO 134 CO -0.26 0.60 0.14 0.00 -0.21 0.00 0.00 178.00 178.26 2woe h ALA 135 N 1.56 1.18 -0.35 -0.75 0.00 -1.69 -0.45 119.26 118.76 2woe h ALA 135 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2woe h ALA 135 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2woe h ALA 135 CO -0.08 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 2woe h ALA 136 N 1.31 0.48 -0.67 0.00 0.00 -0.92 -3.15 119.26 116.32 2woe h ALA 136 Ca 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2woe h ALA 136 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2woe h ALA 136 CO -0.00 0.29 0.26 -0.07 0.00 0.00 0.00 179.25 179.73 2woe h LEU 137 N 0.45 0.93 -0.75 0.00 3.38 -0.58 -2.79 115.31 115.97 2woe h LEU 137 Ca 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2woe h LEU 137 Cb 0.53 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2woe h LEU 137 CO 0.03 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.41 2woe n ALA 138 N -2.40 1.65 -0.10 1.53 0.00 -0.21 -3.18 120.51 117.80 2woe n ALA 138 Ca 0.05 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.62 2woe n ALA 138 Cb 0.18 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.34 2woe n ALA 138 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2woe n THR 139 N -2.27 0.94 -0.28 0.00 -2.24 -1.06 -3.43 114.28 105.94 2woe n THR 139 Ca 0.02 -0.97 0.04 0.00 -2.27 0.00 0.00 64.05 60.87 2woe n THR 139 Cb 0.23 0.54 0.19 0.00 -2.10 0.00 0.00 70.33 69.18 2woe n THR 139 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2woe h LEU 140 N 1.44 0.57 0.00 3.22 3.38 -1.49 -1.49 115.31 120.94 2woe h LEU 140 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2woe h LEU 140 Cb 0.64 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2woe h LEU 140 CO 0.00 0.29 -0.22 0.61 0.09 0.00 0.00 178.44 179.21 2woe n GLY 141 N -1.32 -1.61 2.27 0.83 0.00 -1.23 -4.30 105.19 99.82 2woe n GLY 141 Ca 0.15 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2woe n GLY 141 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2woe n HIS 142 N -2.22 0.38 0.31 1.61 1.44 -0.62 -5.01 115.22 111.12 2woe n HIS 142 Ca 0.05 -3.66 0.19 0.00 -2.01 0.00 0.00 57.72 52.29 2woe n HIS 142 Cb 0.43 -0.34 0.91 0.00 0.12 0.00 0.00 29.99 31.12 2woe n HIS 142 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2woe h PRO 143 N 4.21 0.00 -0.57 -1.40 0.13 -1.60 -1.23 132.00 131.54 2woe h PRO 143 Ca 0.11 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.41 2woe h PRO 143 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2woe h PRO 143 CO 0.53 0.00 0.48 0.00 -0.23 0.00 0.00 178.00 178.77 2woe h ALA 144 N 2.02 2.43 0.00 -0.56 0.00 -1.95 -1.50 119.26 119.70 2woe h ALA 144 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2woe h ALA 144 Cb 0.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2woe h ALA 144 CO 0.00 -0.77 -0.26 -0.25 0.00 0.00 0.00 179.25 177.97 2woe n ASP 145 N -4.07 0.37 0.09 0.00 10.43 -0.46 -4.31 116.55 118.60 2woe n ASP 145 Ca 0.11 0.19 -0.12 0.00 2.57 0.00 0.00 54.79 57.54 2woe n ASP 145 Cb 0.70 -0.18 -0.05 0.00 1.84 0.00 0.00 41.12 43.43 2woe n ASP 145 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2woe h LEU 146 N 0.00 -0.67 0.29 0.64 5.85 -1.42 -1.34 115.31 118.66 2woe h LEU 146 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2woe h LEU 146 Cb 0.56 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2woe h LEU 146 CO 0.00 -0.31 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.57 2woe h GLU 147 N -0.41 -0.37 -0.65 1.25 4.22 -1.77 -0.23 114.58 116.62 2woe h GLU 147 Ca 0.04 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 2woe h GLU 147 Cb 0.45 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2woe h GLU 147 CO -0.16 -0.15 0.36 -1.00 -2.18 0.00 0.00 179.01 175.88 2woe h PRO 148 N -0.54 0.89 -0.10 0.92 0.13 -1.79 -1.90 132.00 129.62 2woe h PRO 148 Ca -0.04 -0.09 -0.12 0.00 -0.87 0.00 0.00 66.00 64.88 2woe h PRO 148 Cb 0.40 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.35 2woe h PRO 148 CO 0.07 0.65 -0.41 -1.49 -0.23 0.00 0.00 178.00 176.59 2woe h TRP 149 N 0.90 0.60 -0.32 1.56 4.06 -1.15 -0.88 115.95 120.73 2woe h TRP 149 Ca 0.23 -0.26 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 2woe h TRP 149 Cb 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 2woe h TRP 149 CO 0.01 1.01 0.11 0.28 -3.56 0.00 0.00 178.44 176.29 2woe h VAL 150 N 0.02 1.19 -0.24 1.49 2.07 -1.03 -2.58 116.25 117.17 2woe h VAL 150 Ca -0.02 -0.60 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 2woe h VAL 150 Cb 1.05 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2woe h VAL 150 CO 0.09 0.21 -0.43 -0.07 0.02 0.00 0.00 177.57 177.38 2woe h LEU 151 N 0.36 0.63 -0.39 2.57 3.38 -1.42 -0.83 115.31 119.61 2woe h LEU 151 Ca 0.10 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2woe h LEU 151 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2woe h LEU 151 CO -0.01 0.98 0.19 0.00 0.09 0.00 0.00 178.44 179.70 2woe h ALA 152 N 1.05 0.49 -0.19 1.53 0.00 -1.05 0.43 119.26 121.51 2woe h ALA 152 Ca 0.04 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2woe h ALA 152 Cb 0.95 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2woe h ALA 152 CO 0.08 -0.17 -0.68 -0.56 0.00 0.00 0.00 179.25 177.92 2woe h GLN 153 N 0.40 0.80 -0.40 0.00 -0.00 -1.35 -3.18 115.11 111.38 2woe h GLN 153 Ca 0.17 -0.61 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 2woe h GLN 153 Cb 0.08 0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 27.65 2woe h GLN 153 CO -0.12 1.22 0.26 0.00 -0.00 0.00 0.00 178.83 180.19 2woe h ALA 154 N 0.58 0.51 0.00 0.06 0.00 -0.90 -2.81 119.26 116.71 2woe h ALA 154 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2woe h ALA 154 Cb 1.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2woe h ALA 154 CO 0.14 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.92 2woe n ARG 155 N -4.79 0.13 -0.10 0.00 5.12 0.12 -1.04 116.66 116.09 2woe n ARG 155 Ca 0.00 0.19 0.11 0.00 -1.93 0.00 0.00 57.85 56.22 2woe n ARG 155 Cb 0.04 -1.50 0.48 0.00 -1.16 0.00 0.00 32.46 30.31 2woe n ARG 155 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2woe h ILE 156 N 0.00 0.91 0.00 0.55 2.04 -1.48 0.15 117.51 119.68 2woe h ILE 156 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2woe h ILE 156 Cb 0.18 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2woe h ILE 156 CO 0.00 0.08 -0.68 0.35 0.00 0.00 0.00 178.15 177.91 2woe n THR 157 N -4.48 0.00 -3.93 -0.27 -2.24 -0.81 -4.27 114.28 98.29 2woe n THR 157 Ca 0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 2woe n THR 157 Cb 0.36 -0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 67.77 2woe n THR 157 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2woe s HIS 158 N -1.68 1.94 -0.43 4.78 3.76 -0.21 -4.70 115.29 118.75 2woe s HIS 158 Ca 0.00 -1.25 0.04 0.00 -0.15 0.00 0.00 55.06 53.70 2woe s HIS 158 Cb 0.00 -1.43 0.12 0.00 1.11 0.00 0.00 32.58 32.38 2woe s HIS 158 CO 0.00 -0.66 0.16 1.21 -0.85 0.00 0.00 174.74 174.60 2woe s ASN 159 N 1.55 4.49 -0.25 1.40 2.47 -1.26 -3.52 114.94 119.83 2woe s ASN 159 Ca 0.00 -2.60 -0.16 0.00 0.42 0.00 0.00 52.86 50.53 2woe s ASN 159 Cb -0.15 -1.60 0.07 0.00 -1.45 0.00 0.00 41.25 38.11 2woe s ASN 159 CO -0.08 -0.30 0.61 -2.28 -3.72 0.00 0.00 177.10 171.33 2woe s HIS 160 N 0.29 -0.89 0.47 0.43 2.46 -1.26 -3.14 115.29 113.65 2woe s HIS 160 Ca 0.14 1.86 0.20 0.00 0.47 0.00 0.00 55.06 57.73 2woe s HIS 160 Cb -0.23 0.48 1.20 0.00 -0.13 0.00 0.00 32.58 33.90 2woe s HIS 160 CO -0.04 -0.45 1.93 -1.35 -2.47 0.00 0.00 174.74 172.36 2woe h PRO 161 N 6.68 0.24 -0.17 2.88 0.11 -1.95 0.31 132.00 140.10 2woe h PRO 161 Ca -0.31 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.64 2woe h PRO 161 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2woe h PRO 161 CO 0.18 0.16 -0.44 -0.07 -0.21 0.00 0.00 178.00 177.62 2woe h LEU 162 N 0.25 0.69 0.21 2.35 3.38 -1.97 -1.37 115.31 118.85 2woe h LEU 162 Ca 0.35 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2woe h LEU 162 Cb 1.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2woe h LEU 162 CO -0.08 1.14 -0.10 -1.28 0.09 0.00 0.00 178.44 178.21 2woe h SER 163 N 0.27 -0.24 -0.47 -0.43 0.87 -1.66 -1.77 113.55 110.12 2woe h SER 163 Ca -0.01 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2woe h SER 163 Cb 1.06 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.98 2woe h SER 163 CO 0.10 -0.16 -0.16 0.44 -0.53 0.00 0.00 176.83 176.51 2woe h ASP 164 N -0.28 -0.57 -0.61 6.23 3.32 -0.97 -0.90 116.42 122.64 2woe h ASP 164 Ca -0.03 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2woe h ASP 164 Cb 0.22 0.34 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2woe h ASP 164 CO 0.05 -0.20 0.26 0.00 -1.72 0.00 0.00 179.24 177.63 2woe h ALA 165 N 1.35 0.79 -0.28 3.45 0.00 -1.19 -2.14 119.26 121.24 2woe h ALA 165 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2woe h ALA 165 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2woe h ALA 165 CO -0.51 0.39 0.13 0.00 0.00 0.00 0.00 179.25 179.25 2woe h ALA 166 N 1.10 0.36 -0.59 0.00 0.00 -0.74 -1.53 119.26 117.86 2woe h ALA 166 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2woe h ALA 166 Cb 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2woe h ALA 166 CO -0.02 -0.06 0.36 0.00 0.00 0.00 0.00 179.25 179.53 2woe h LEU 168 N 0.71 0.90 0.04 0.00 5.85 -1.32 -1.25 115.31 120.24 2woe h LEU 168 Ca 0.24 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2woe h LEU 168 Cb 0.02 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2woe h LEU 168 CO -0.10 1.21 -0.03 0.74 -0.34 0.00 0.00 178.44 179.92 2woe h THR 169 N 0.61 0.92 -0.58 1.05 2.02 -0.97 -0.53 112.91 115.43 2woe h THR 169 Ca 0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.23 2woe h THR 169 Cb 0.99 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 2woe h THR 169 CO 0.09 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.30 2woe h LEU 170 N -0.08 0.66 -0.62 2.58 3.38 -1.03 -0.02 115.31 120.17 2woe h LEU 170 Ca -0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2woe h LEU 170 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2woe h LEU 170 CO -0.00 0.47 0.41 1.23 0.09 0.00 0.00 178.44 180.64 2woe h GLY 171 N 0.78 0.87 1.29 0.83 0.00 -1.12 -0.62 103.07 105.09 2woe h GLY 171 Ca 0.21 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 2woe h GLY 171 CO -0.05 0.31 0.00 3.21 0.00 0.00 0.00 176.54 180.01 2woe h ARG 172 N 0.83 0.87 -0.46 4.80 3.08 -0.72 -2.01 114.38 120.76 2woe h ARG 172 Ca 0.23 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2woe h ARG 172 Cb -0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2woe h ARG 172 CO -0.05 0.86 0.25 0.52 -1.07 0.00 0.00 179.97 180.48 2woe h MET 173 N 0.80 0.65 -0.91 0.04 2.86 -0.70 -0.69 114.93 116.98 2woe h MET 173 Ca 0.15 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2woe h MET 173 Cb 0.48 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 2woe h MET 173 CO 0.02 0.53 0.60 0.28 1.06 0.00 0.00 176.91 179.39 2woe h VAL 174 N 0.61 1.18 -0.73 -2.22 2.07 -0.90 -0.48 116.25 115.79 2woe h VAL 174 Ca 0.16 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2woe h VAL 174 Cb 0.07 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 2woe h VAL 174 CO -0.02 0.22 0.29 0.45 0.02 0.00 0.00 177.57 178.52 2woe h HIS 175 N 1.18 1.11 -0.41 1.57 -0.00 -1.01 -1.03 115.15 116.56 2woe h HIS 175 Ca 0.35 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 2woe h HIS 175 Cb -0.05 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.01 2woe h HIS 175 CO -0.01 0.85 0.21 0.45 -0.00 0.00 0.00 177.93 179.43 2woe h HIS 176 N 1.04 0.58 -0.06 2.45 3.86 -0.59 -0.57 115.15 121.86 2woe h HIS 176 Ca 0.24 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 2woe h HIS 176 Cb 0.21 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 2woe h HIS 176 CO 0.02 0.47 -0.03 -0.07 0.86 0.00 0.00 177.93 179.17 2woe h LEU 177 N 0.52 0.14 -0.78 2.43 3.38 -0.85 0.41 115.31 120.56 2woe h LEU 177 Ca 0.14 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 2woe h LEU 177 Cb 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2woe h LEU 177 CO -0.02 0.53 -0.45 0.40 0.09 0.00 0.00 178.44 178.99 2woe h ILE 178 N -0.25 1.32 0.00 1.22 2.04 -1.24 -0.88 117.51 119.72 2woe h ILE 178 Ca 0.01 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.23 2woe h ILE 178 Cb 0.48 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2woe h ILE 178 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.27 2woe n GLY 179 N -0.02 -0.71 2.23 5.37 0.00 -0.22 -4.79 105.19 107.05 2woe n GLY 179 Ca -0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2woe n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 180 N 0.38 0.05 0.00 -0.02 0.00 -0.33 -4.91 105.19 100.35 2woe n GLY 180 Ca 0.14 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.82 2woe n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2woe n ARG 181 N -2.02 0.08 0.00 1.61 1.74 0.14 -5.02 116.66 113.18 2woe n ARG 181 Ca -0.09 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2woe n ARG 181 Cb 0.57 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2woe n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2woe n GLY 182 N 1.47 -0.33 0.24 -0.13 0.00 -1.21 -3.26 105.19 101.96 2woe n GLY 182 Ca 0.04 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.29 2woe n GLY 182 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2woe h MET 183 N 0.00 0.12 -0.68 1.61 1.85 -1.97 -2.46 114.93 113.40 2woe h MET 183 Ca 0.00 -0.02 0.13 0.00 -0.61 0.00 0.00 59.70 59.20 2woe h MET 183 Cb 0.00 -0.02 -0.09 0.00 0.43 0.00 0.00 31.60 31.92 2woe h MET 183 CO 0.00 0.24 0.19 -0.22 -0.40 0.00 0.00 176.91 176.73 2woe h LYS 184 N 0.12 0.31 -0.07 0.39 3.64 -2.01 -0.58 116.57 118.37 2woe h LYS 184 Ca 0.03 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 2woe h LYS 184 Cb 0.28 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2woe h LYS 184 CO 0.02 0.20 -0.49 0.00 -2.27 0.00 0.00 179.45 176.91 2woe h ALA 185 N 1.53 1.04 -0.24 5.00 0.00 -1.42 -3.00 119.26 122.18 2woe h ALA 185 Ca 0.37 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2woe h ALA 185 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2woe h ALA 185 CO -0.43 0.64 -0.47 0.00 0.00 0.00 0.00 179.25 178.99 2woe h ARG 187 N 0.50 0.52 -0.65 0.00 3.08 -1.01 0.17 114.38 116.99 2woe h ARG 187 Ca 0.03 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2woe h ARG 187 Cb 1.01 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2woe h ARG 187 CO 0.09 0.34 0.28 0.93 -1.07 0.00 0.00 179.97 180.55 2woe h GLU 188 N 0.54 0.94 -0.33 0.04 5.08 -1.39 -0.26 114.58 119.19 2woe h GLU 188 Ca 0.24 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 2woe h GLU 188 Cb 0.16 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2woe h GLU 188 CO -0.17 0.75 -0.48 1.49 -1.00 0.00 0.00 179.01 179.59 2woe h GLU 189 N 0.93 0.90 -0.41 2.33 4.57 -0.84 -1.86 114.58 120.20 2woe h GLU 189 Ca 0.22 -0.53 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2woe h GLU 189 Cb 0.15 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2woe h GLU 189 CO -0.02 1.17 0.24 0.00 -1.18 0.00 0.00 179.01 179.22 2woe h ALA 190 N 0.73 0.52 -0.89 2.92 0.00 -0.42 -1.71 119.26 120.41 2woe h ALA 190 Ca 0.03 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2woe h ALA 190 Cb 1.09 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2woe h ALA 190 CO 0.11 0.02 0.54 -0.91 0.00 0.00 0.00 179.25 179.01 2woe h ASN 191 N 0.53 0.81 -0.58 0.00 2.35 -0.85 -1.16 115.58 116.68 2woe h ASN 191 Ca 0.15 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2woe h ASN 191 Cb 0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2woe h ASN 191 CO -0.03 0.48 0.11 0.03 -1.65 0.00 0.00 177.43 176.37 2woe h ARG 192 N 0.92 0.96 -0.11 0.81 3.08 -0.92 -1.12 114.38 118.00 2woe h ARG 192 Ca 0.41 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2woe h ARG 192 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2woe h ARG 192 CO -0.22 0.90 0.06 1.25 -1.07 0.00 0.00 179.97 180.89 2woe h LEU 193 N 0.86 0.13 -1.14 3.04 5.85 -0.58 -1.55 115.31 121.92 2woe h LEU 193 Ca 0.18 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2woe h LEU 193 Cb 0.40 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2woe h LEU 193 CO 0.01 0.15 -0.13 0.58 -0.34 0.00 0.00 178.44 178.71 2woe h VAL 194 N 0.10 1.22 -0.38 1.05 2.07 -1.13 0.11 116.25 119.30 2woe h VAL 194 Ca 0.04 -1.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.40 2woe h VAL 194 Cb 0.04 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2woe h VAL 194 CO -0.01 0.32 -0.40 -0.74 0.02 0.00 0.00 177.57 176.77 2woe h HIS 195 N 0.41 1.12 0.01 1.57 -0.00 -0.96 -2.40 115.15 114.90 2woe h HIS 195 Ca 0.08 -0.34 -0.22 0.00 -0.00 0.00 0.00 60.37 59.89 2woe h HIS 195 Cb 0.48 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2woe h HIS 195 CO 0.01 1.17 -0.93 -0.56 -0.00 0.00 0.00 177.93 177.62 2woe h GLN 196 N 0.76 0.34 -2.80 5.26 3.07 -0.90 -3.39 115.11 117.45 2woe h GLN 196 Ca 0.06 -0.37 -0.60 0.00 0.09 0.00 0.00 58.65 57.82 2woe h GLN 196 Cb 0.99 0.11 -0.40 0.00 0.08 0.00 0.00 27.48 28.27 2woe h GLN 196 CO 0.10 1.06 -0.79 -1.01 0.09 0.00 0.00 178.83 178.28 2woe s HIS 197 N -3.22 1.68 0.55 0.06 3.76 0.36 -5.01 115.29 113.47 2woe s HIS 197 Ca -0.05 -2.30 0.49 0.00 -0.15 0.00 0.00 55.06 53.05 2woe s HIS 197 Cb 0.09 -1.58 1.68 0.00 1.11 0.00 0.00 32.58 33.88 2woe s HIS 197 CO 0.86 -0.78 1.53 -2.13 -0.85 0.00 0.00 174.74 173.36 2woe n ARG 198 N 3.41 0.00 0.26 1.40 0.63 -0.91 -1.02 116.66 120.44 2woe n ARG 198 Ca 0.14 1.07 0.14 0.00 -0.92 0.00 0.00 57.85 58.27 2woe n ARG 198 Cb 0.37 -2.47 0.83 0.00 0.45 0.00 0.00 32.46 31.64 2woe n ARG 198 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2woe h ASP 199 N 0.00 0.00 0.69 6.15 5.19 -1.93 -2.52 116.42 123.99 2woe h ASP 199 Ca 0.91 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.32 2woe h ASP 199 Cb 3.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 43.22 2woe h ASP 199 CO -0.01 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 176.60 2woe n PHE 200 N -4.03 0.00 -1.59 4.55 3.72 -0.19 -4.87 117.46 115.06 2woe n PHE 200 Ca -0.02 0.00 -0.58 0.00 -0.05 0.00 0.00 57.45 56.81 2woe n PHE 200 Cb 0.14 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.18 2woe n PHE 200 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2woe n HIS 201 N -1.43 1.24 -0.47 1.38 8.25 -0.95 -4.64 115.22 118.59 2woe n HIS 201 Ca 0.08 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 2woe n HIS 201 Cb 0.25 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.12 2woe n HIS 201 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2woe n PHE 202 N 2.59 0.00 -4.36 4.41 1.16 -1.26 -4.95 117.46 115.06 2woe n PHE 202 Ca 0.22 -0.10 -0.26 0.00 -1.87 0.00 0.00 57.45 55.43 2woe n PHE 202 Cb 0.11 -0.01 -0.17 0.00 -1.61 0.00 0.00 39.48 37.80 2woe n PHE 202 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2woe s GLU 203 N -0.20 1.83 0.35 3.97 0.41 -1.26 -2.45 118.70 121.34 2woe s GLU 203 Ca 0.00 -0.42 -0.27 0.00 -0.41 0.00 0.00 54.97 53.87 2woe s GLU 203 Cb 0.00 -1.61 -0.09 0.00 -1.78 0.00 0.00 34.13 30.64 2woe s GLU 203 CO 0.00 -0.08 1.19 -1.25 -0.49 0.00 0.00 175.26 174.62 2woe s PRO 204 N 1.05 4.31 0.04 0.39 0.04 -1.26 -5.11 135.00 134.46 2woe s PRO 204 Ca -0.07 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 2woe s PRO 204 Cb -0.15 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 2woe s PRO 204 CO -0.01 -0.12 1.27 -0.47 0.04 0.00 0.00 177.00 177.70 2woe s TYR 205 N -1.27 3.25 -2.15 0.56 5.04 -1.02 -4.94 117.35 116.81 2woe s TYR 205 Ca 0.51 1.13 0.23 0.00 -2.44 0.00 0.00 57.07 56.50 2woe s TYR 205 Cb -0.34 -3.51 0.10 0.00 0.35 0.00 0.00 41.96 38.56 2woe s TYR 205 CO 0.43 -1.70 1.16 1.63 -1.34 0.00 0.00 175.55 175.74 2woe n LYS 206 N 4.44 1.34 -1.44 4.97 4.76 -1.26 -4.99 118.16 125.98 2woe n LYS 206 Ca 0.11 -1.09 0.00 0.00 -2.87 0.00 0.00 58.31 54.46 2woe n LYS 206 Cb 0.45 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2woe n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2woe n GLY 207 N 1.40 0.50 3.63 0.72 0.00 -1.26 -5.05 105.19 105.13 2woe n GLY 207 Ca 0.10 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2woe n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2woe s GLN 208 N -2.94 3.98 -0.08 1.61 -1.52 -1.26 -4.98 119.66 114.47 2woe s GLN 208 Ca 0.00 -0.34 0.21 0.00 -1.95 0.00 0.00 55.36 53.28 2woe s GLN 208 Cb 0.00 -3.27 0.38 0.00 -0.22 0.00 0.00 33.01 29.90 2woe s GLN 208 CO 0.00 0.22 1.15 -1.13 -0.25 0.00 0.00 175.29 175.28 2woe n SER 209 N 3.72 0.67 -3.77 5.90 3.41 -1.26 -4.48 113.62 117.81 2woe n SER 209 Ca -0.16 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.13 2woe n SER 209 Cb 0.52 -0.19 0.24 0.00 -0.26 0.00 0.00 64.21 64.52 2woe n SER 209 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2woe s SER 210 N -2.18 1.12 0.00 4.04 1.04 -1.26 -0.39 113.70 116.06 2woe s SER 210 Ca 0.26 0.50 0.20 0.00 0.48 0.00 0.00 55.95 57.39 2woe s SER 210 Cb 0.32 -0.66 1.00 0.00 0.10 0.00 0.00 66.02 66.78 2woe s SER 210 CO -0.11 -3.99 1.64 0.00 0.98 0.00 0.00 173.24 171.76 2woe n ALA 211 N -4.65 2.05 -1.71 5.32 0.00 -1.26 -3.59 120.51 116.67 2woe n ALA 211 Ca 0.14 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2woe n ALA 211 Cb 0.60 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2woe n ALA 211 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2woe n TYR 212 N -1.32 2.58 0.25 0.00 9.36 -1.26 -0.91 117.16 125.86 2woe n TYR 212 Ca 0.09 0.24 0.07 0.00 3.32 0.00 0.00 57.90 61.62 2woe n TYR 212 Cb 0.17 -2.58 0.60 0.00 -0.63 0.00 0.00 39.34 36.90 2woe n TYR 212 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 2woe h ILE 213 N 3.44 1.03 0.31 2.97 6.09 -1.09 -0.78 117.51 129.48 2woe h ILE 213 Ca -0.45 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 62.78 2woe h ILE 213 Cb 1.23 1.13 0.00 0.00 0.47 0.00 0.00 36.82 39.66 2woe h ILE 213 CO 0.84 0.07 -0.15 0.58 -3.07 0.00 0.00 178.15 176.42 2woe h VAL 214 N 0.00 0.69 -0.57 2.19 2.07 -1.90 -0.00 116.25 118.73 2woe h VAL 214 Ca -0.00 -0.58 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2woe h VAL 214 Cb 0.12 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2woe h VAL 214 CO 0.01 0.11 0.12 0.44 0.02 0.00 0.00 177.57 178.27 2woe h ASP 215 N -0.75 0.01 -0.08 0.57 5.19 -1.72 -0.59 116.42 119.05 2woe h ASP 215 Ca -0.04 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2woe h ASP 215 Cb 0.50 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2woe h ASP 215 CO 0.07 0.02 0.04 0.74 -3.12 0.00 0.00 179.24 176.99 2woe h THR 216 N 0.26 1.12 -0.31 0.35 2.02 -1.11 -1.94 112.91 113.30 2woe h THR 216 Ca 0.29 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 2woe h THR 216 Cb 0.42 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2woe h THR 216 CO -0.37 0.10 -0.40 0.24 0.37 0.00 0.00 175.52 175.46 2woe h MET 217 N -0.00 0.75 -0.67 6.66 2.86 -0.78 -0.72 114.93 123.03 2woe h MET 217 Ca 0.03 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.32 2woe h MET 217 Cb 0.13 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 2woe h MET 217 CO -0.00 1.02 0.39 1.96 1.06 0.00 0.00 176.91 181.33 2woe h GLN 218 N 0.61 0.70 0.13 1.72 4.20 -1.03 -1.13 115.11 120.31 2woe h GLN 218 Ca 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2woe h GLN 218 Cb 0.95 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2woe h GLN 218 CO 0.09 0.46 -0.06 1.15 -0.67 0.00 0.00 178.83 179.80 2woe h THR 219 N 0.72 1.03 -0.05 -0.54 2.02 -1.11 -1.20 112.91 113.79 2woe h THR 219 Ca 0.29 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 2woe h THR 219 Cb 0.14 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2woe h THR 219 CO -0.16 0.17 0.03 0.58 0.37 0.00 0.00 175.52 176.51 2woe h VAL 220 N -0.51 1.05 -0.39 3.16 2.07 -1.08 -1.84 116.25 118.72 2woe h VAL 220 Ca -0.02 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 2woe h VAL 220 Cb 0.41 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2woe h VAL 220 CO 0.03 0.04 -0.16 -0.07 0.02 0.00 0.00 177.57 177.44 2woe h LEU 221 N 0.02 0.81 0.21 2.57 3.38 -1.26 -0.74 115.31 120.30 2woe h LEU 221 Ca 0.02 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2woe h LEU 221 Cb 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2woe h LEU 221 CO -0.00 1.02 -0.48 -0.74 0.09 0.00 0.00 178.44 178.33 2woe h HIS 222 N 0.59 -1.36 -0.29 1.13 2.76 -1.10 -1.20 115.15 115.68 2woe h HIS 222 Ca 0.09 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.20 2woe h HIS 222 Cb 0.70 0.57 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 2woe h HIS 222 CO 0.06 -0.58 -0.20 1.88 -1.30 0.00 0.00 177.93 177.78 2woe h TYR 223 N -0.77 0.60 -0.52 5.26 0.05 -1.28 -1.90 116.97 118.40 2woe h TYR 223 Ca -0.01 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 2woe h TYR 223 Cb 0.76 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 2woe h TYR 223 CO -0.37 0.71 0.24 -0.92 -1.05 0.00 0.00 178.16 176.77 2woe h TYR 224 N 0.49 0.76 0.00 4.88 3.20 -1.06 -2.90 116.97 122.34 2woe h TYR 224 Ca 0.08 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2woe h TYR 224 Cb 0.62 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2woe h TYR 224 CO 0.02 0.60 -0.18 0.74 -1.64 0.00 0.00 178.16 177.71 2woe h PHE 225 N 0.70 0.00 -0.42 -3.82 0.04 -0.95 -3.24 116.94 109.25 2woe h PHE 225 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2woe h PHE 225 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2woe h PHE 225 CO -0.00 0.00 0.00 1.33 -0.60 0.00 0.00 178.31 179.04 2woe n VAL 226 N -2.97 0.59 -4.26 -0.55 0.24 -0.74 -4.95 118.33 105.69 2woe n VAL 226 Ca 0.03 -0.79 -0.24 0.00 -2.04 0.00 0.00 64.34 61.30 2woe n VAL 226 Cb 0.53 0.90 -0.08 0.00 -1.47 0.00 0.00 33.84 33.72 2woe n VAL 226 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2woe s THR 227 N -1.36 2.76 -0.01 3.34 -4.23 -1.10 -5.06 115.64 109.98 2woe s THR 227 Ca 0.38 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2woe s THR 227 Cb 0.22 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 71.22 2woe s THR 227 CO 0.30 -0.19 0.76 -0.90 -0.54 0.00 0.00 174.62 174.05 2woe n ASP 228 N -1.02 0.77 -4.00 3.99 5.68 -1.26 -4.96 116.55 115.74 2woe n ASP 228 Ca -0.04 -1.59 -0.08 0.00 -0.50 0.00 0.00 54.79 52.58 2woe n ASP 228 Cb 0.62 -0.06 -0.09 0.00 -1.14 0.00 0.00 41.12 40.45 2woe n ASP 228 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2woe s THR 229 N -0.52 0.16 0.09 2.12 -4.23 -1.26 -5.06 115.64 106.95 2woe s THR 229 Ca 0.03 -1.54 -0.22 0.00 -1.18 0.00 0.00 61.69 58.77 2woe s THR 229 Cb 0.02 -1.54 -0.13 0.00 1.34 0.00 0.00 72.50 72.19 2woe s THR 229 CO 0.00 -0.74 1.73 0.15 -0.54 0.00 0.00 174.62 175.22 2woe h PHE 230 N 2.91 0.07 -0.29 3.99 3.57 -1.88 -1.59 116.94 123.72 2woe h PHE 230 Ca -0.34 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 2woe h PHE 230 Cb 1.18 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2woe h PHE 230 CO 0.47 0.07 0.16 -0.22 -2.23 0.00 0.00 178.31 176.55 2woe h LYS 231 N 0.05 0.40 -0.29 1.11 3.64 -1.98 -1.78 116.57 117.73 2woe h LYS 231 Ca 0.02 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 2woe h LYS 231 Cb 0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2woe h LYS 231 CO -0.00 0.35 -0.43 0.66 -2.27 0.00 0.00 179.45 177.76 2woe h SER 232 N 0.35 0.77 -0.13 4.20 4.64 -1.97 -0.73 113.55 120.68 2woe h SER 232 Ca 0.10 -0.36 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 2woe h SER 232 Cb 0.07 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.90 2woe h SER 232 CO -0.02 1.10 -0.15 0.00 -0.87 0.00 0.00 176.83 176.90 2woe h LEU 234 N -0.18 0.52 -0.23 0.00 4.07 -1.09 -1.12 115.31 117.28 2woe h LEU 234 Ca 0.09 -0.41 0.02 0.00 0.08 0.00 0.00 57.88 57.67 2woe h LEU 234 Cb 0.31 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 2woe h LEU 234 CO -0.24 0.82 0.08 0.40 -1.08 0.00 0.00 178.44 178.42 2woe h ILE 235 N 0.23 0.94 -0.65 1.22 2.04 -1.10 -0.11 117.51 120.08 2woe h ILE 235 Ca 0.05 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2woe h ILE 235 Cb 0.62 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2woe h ILE 235 CO 0.04 0.03 0.16 1.56 0.00 0.00 0.00 178.15 179.94 2woe h GLN 236 N 0.19 1.04 0.43 2.37 4.20 -1.20 -1.94 115.11 120.19 2woe h GLN 236 Ca 0.10 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2woe h GLN 236 Cb 0.07 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2woe h GLN 236 CO -0.10 0.93 -0.21 1.15 -0.67 0.00 0.00 178.83 179.93 2woe h THR 237 N 0.96 0.56 -0.20 -0.54 2.02 -0.93 -3.07 112.91 111.71 2woe h THR 237 Ca 0.20 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 2woe h THR 237 Cb 0.35 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2woe h THR 237 CO 0.00 0.04 -0.22 -0.37 0.37 0.00 0.00 175.52 175.34 2woe h VAL 238 N -0.72 1.24 0.00 3.16 -1.51 -0.98 -2.60 116.25 114.85 2woe h VAL 238 Ca -0.06 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2woe h VAL 238 Cb 0.52 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2woe h VAL 238 CO 0.10 0.36 0.00 0.59 -1.23 0.00 0.00 177.57 177.38 2woe n ASN 239 N -4.16 0.06 0.24 4.19 3.02 -0.73 -1.41 115.26 116.46 2woe n ASN 239 Ca -0.00 0.51 0.11 0.00 -0.03 0.00 0.00 54.58 55.17 2woe n ASN 239 Cb 0.37 -0.52 0.60 0.00 -0.61 0.00 0.00 39.78 39.61 2woe n ASN 239 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2woe h GLN 240 N 0.00 0.00 0.00 3.52 5.75 -1.36 -3.40 115.11 119.62 2woe h GLN 240 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2woe h GLN 240 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 2woe h GLN 240 CO 0.00 0.18 0.00 0.41 -2.65 0.00 0.00 178.83 176.77 2woe n GLY 241 N -0.31 -0.55 7.00 2.39 0.00 -0.50 -3.34 105.19 109.89 2woe n GLY 241 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2woe n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woe n GLY 242 N 0.00 2.16 2.65 -0.02 0.00 -0.33 -4.04 105.19 105.61 2woe n GLY 242 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2woe n GLY 242 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2woe n ASP 243 N 4.64 5.30 0.13 1.61 2.03 0.47 -0.82 116.55 129.91 2woe n ASP 243 Ca 0.00 -2.85 -0.02 0.00 0.52 0.00 0.00 54.79 52.44 2woe n ASP 243 Cb 0.00 -1.59 0.13 0.00 -0.72 0.00 0.00 41.12 38.94 2woe n ASP 243 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2woe h ALA 244 N 5.68 0.89 -0.07 -1.67 0.00 -1.79 -1.26 119.26 121.03 2woe h ALA 244 Ca 0.61 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2woe h ALA 244 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2woe h ALA 244 CO 1.80 0.83 -0.31 0.38 0.00 0.00 0.00 179.25 181.95 2woe h ASP 245 N 0.00 0.13 0.07 0.00 2.03 -1.80 0.84 116.42 117.70 2woe h ASP 245 Ca -0.01 -0.04 -0.29 0.00 -0.73 0.00 0.00 57.03 55.96 2woe h ASP 245 Cb 1.19 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.63 2woe h ASP 245 CO 0.09 0.45 -1.58 0.74 -1.03 0.00 0.00 179.24 177.91 2woe h THR 246 N 0.12 0.82 -0.59 1.15 2.02 -1.74 0.94 112.91 115.63 2woe h THR 246 Ca 0.02 -2.28 0.01 0.00 0.77 0.00 0.00 66.41 64.93 2woe h THR 246 Cb 0.62 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.42 2woe h THR 246 CO 0.05 0.62 0.38 0.71 0.37 0.00 0.00 175.52 177.65 2woe h THR 247 N -0.45 1.13 -0.31 3.16 1.35 -1.35 -1.58 112.91 114.85 2woe h THR 247 Ca -0.37 -0.27 0.05 0.00 -0.55 0.00 0.00 66.41 65.27 2woe h THR 247 Cb 1.68 0.28 -0.04 0.00 -1.73 0.00 0.00 68.15 68.34 2woe h THR 247 CO -0.04 0.14 0.04 1.23 -0.25 0.00 0.00 175.52 176.64 2woe h GLY 248 N 0.77 0.34 0.98 5.82 0.00 -0.88 0.08 103.07 110.18 2woe h GLY 248 Ca 0.22 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.56 2woe h GLY 248 CO -0.06 -0.03 0.38 0.00 0.00 0.00 0.00 176.54 176.82 2woe h ALA 249 N 1.24 0.74 -0.25 3.60 0.00 -0.62 0.16 119.26 124.12 2woe h ALA 249 Ca 0.15 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2woe h ALA 249 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2woe h ALA 249 CO -0.21 0.15 -0.60 -0.07 0.00 0.00 0.00 179.25 178.52 2woe h LEU 250 N 0.77 0.96 -0.86 0.00 3.38 -1.03 -0.39 115.31 118.14 2woe h LEU 250 Ca 0.22 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2woe h LEU 250 Cb -0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 2woe h LEU 250 CO -0.06 1.35 0.54 0.00 0.09 0.00 0.00 178.44 180.36 2woe h ALA 251 N 0.64 1.09 -0.75 1.53 0.00 -0.87 -1.41 119.26 119.50 2woe h ALA 251 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2woe h ALA 251 Cb 1.21 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2woe h ALA 251 CO 0.13 0.53 0.44 0.78 0.00 0.00 0.00 179.25 181.12 2woe h GLY 252 N 1.17 1.09 0.94 0.00 0.00 -0.42 0.19 103.07 106.04 2woe h GLY 252 Ca 0.31 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2woe h GLY 252 CO -0.06 0.45 -0.16 1.98 0.00 0.00 0.00 176.54 178.75 2woe h MET 253 N 1.02 -0.39 -0.12 4.80 -1.53 -0.82 0.23 114.93 118.12 2woe h MET 253 Ca 0.27 0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.54 2woe h MET 253 Cb -0.01 0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.12 2woe h MET 253 CO -0.05 -0.26 0.01 -0.07 0.14 0.00 0.00 176.91 176.68 2woe h LEU 254 N -0.41 0.20 -0.48 3.39 3.38 -1.10 -1.01 115.31 119.27 2woe h LEU 254 Ca -0.03 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2woe h LEU 254 Cb 0.34 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2woe h LEU 254 CO 0.03 0.42 -0.04 0.00 0.09 0.00 0.00 178.44 178.94 2woe h ALA 255 N 0.78 0.65 -0.92 1.53 0.00 -0.69 -1.02 119.26 119.59 2woe h ALA 255 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2woe h ALA 255 Cb 0.31 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2woe h ALA 255 CO 0.00 0.49 0.60 0.78 0.00 0.00 0.00 179.25 181.13 2woe h GLY 256 N 0.72 1.29 1.90 0.00 0.00 -0.51 0.10 103.07 106.57 2woe h GLY 256 Ca 0.13 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2woe h GLY 256 CO 0.03 0.48 -0.38 0.00 0.00 0.00 0.00 176.54 176.67 2woe h ALA 257 N 1.33 1.27 0.08 3.60 0.00 -0.88 -0.94 119.26 123.73 2woe h ALA 257 Ca 0.34 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2woe h ALA 257 Cb -0.14 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2woe h ALA 257 CO -0.07 0.52 -0.54 1.15 0.00 0.00 0.00 179.25 180.30 2woe h THR 258 N 0.10 1.59 0.00 0.00 2.02 -0.41 -3.40 112.91 112.80 2woe h THR 258 Ca 0.01 -2.41 -0.05 0.00 0.77 0.00 0.00 66.41 64.72 2woe h THR 258 Cb 0.71 3.18 -0.01 0.00 -1.74 0.00 0.00 68.15 70.29 2woe h THR 258 CO 0.05 0.67 -1.99 -1.22 0.37 0.00 0.00 175.52 173.41 2woe n TYR 259 N -4.29 0.07 0.00 3.16 4.01 0.29 -4.93 117.16 115.48 2woe n TYR 259 Ca -0.12 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2woe n TYR 259 Cb 0.70 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2woe n TYR 259 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2woe n GLY 260 N 1.33 -0.15 0.39 2.72 0.00 -0.36 -4.50 105.19 104.62 2woe n GLY 260 Ca -0.08 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.50 2woe n GLY 260 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2woe h VAL 261 N 0.00 0.73 0.00 1.61 3.04 -1.48 -2.16 116.25 117.99 2woe h VAL 261 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2woe h VAL 261 Cb 0.00 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.74 2woe h VAL 261 CO 0.00 0.05 0.00 0.44 -1.01 0.00 0.00 177.57 177.05 2woe h ASP 262 N 0.25 0.00 0.06 3.17 3.32 -1.87 -2.24 116.42 119.12 2woe h ASP 262 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2woe h ASP 262 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2woe h ASP 262 CO -0.08 0.00 -0.08 0.47 -1.72 0.00 0.00 179.24 177.83 2woe n ASP 263 N -2.44 1.40 -4.68 6.45 9.92 -0.81 -4.84 116.55 121.56 2woe n ASP 263 Ca 0.01 -1.33 -0.42 0.00 -0.53 0.00 0.00 54.79 52.52 2woe n ASP 263 Cb 0.22 0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 40.71 2woe n ASP 263 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2woe s ILE 264 N -2.16 4.80 0.00 0.53 1.01 -0.84 -4.37 121.20 120.18 2woe s ILE 264 Ca 0.33 1.90 -0.36 0.00 0.00 0.00 0.00 60.65 62.52 2woe s ILE 264 Cb 0.20 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 38.27 2woe s ILE 264 CO 0.39 -0.01 1.56 -2.65 0.00 0.00 0.00 174.94 174.23 2woe n PRO 265 N 5.25 1.53 0.20 2.79 -0.02 -1.26 -4.83 135.00 138.65 2woe n PRO 265 Ca 0.08 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 2woe n PRO 265 Cb 0.48 -2.26 0.52 0.00 -0.02 0.00 0.00 33.50 32.22 2woe n PRO 265 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2woe h SER 266 N 6.07 0.07 0.18 2.55 4.64 -1.93 -1.78 113.55 123.36 2woe h SER 266 Ca -0.47 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2woe h SER 266 Cb 1.30 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2woe h SER 266 CO 0.87 0.17 -0.06 1.23 -0.87 0.00 0.00 176.83 178.17 2woe h GLY 267 N 0.41 0.00 0.02 -0.77 0.00 -2.00 -0.83 103.07 99.90 2woe h GLY 267 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 2woe h GLY 267 CO 0.01 0.00 -1.09 1.49 0.00 0.00 0.00 176.54 176.95 2woe h TRP 268 N 0.00 0.02 -0.73 5.60 6.55 -1.72 -3.40 115.95 122.27 2woe h TRP 268 Ca -0.00 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.82 2woe h TRP 268 Cb 0.16 -0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.43 2woe h TRP 268 CO 0.00 1.43 0.43 1.25 -1.05 0.00 0.00 178.44 180.50 2woe h LEU 269 N -0.97 0.88 -1.70 -4.49 5.85 -1.27 -1.89 115.31 111.72 2woe h LEU 269 Ca -0.30 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2woe h LEU 269 Cb 1.28 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2woe h LEU 269 CO -0.17 0.68 0.00 0.77 -0.34 0.00 0.00 178.44 179.38 2woe h SER 270 N 1.01 0.00 0.71 1.25 4.64 -1.37 -2.36 113.55 117.43 2woe h SER 270 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2woe h SER 270 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2woe h SER 270 CO -0.05 0.00 -0.36 0.29 -0.87 0.00 0.00 176.83 175.84 2woe n LYS 271 N -2.66 0.04 -1.76 4.77 4.76 -0.71 -4.89 118.16 117.71 2woe n LYS 271 Ca -0.01 0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.05 2woe n LYS 271 Cb 0.15 -1.53 0.02 0.00 -1.84 0.00 0.00 35.03 31.83 2woe n LYS 271 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2woe n LEU 272 N -1.59 5.17 -4.70 -0.35 4.77 -0.89 -4.26 117.00 115.14 2woe n LEU 272 Ca 0.06 1.12 -0.44 0.00 -0.03 0.00 0.00 56.01 56.72 2woe n LEU 272 Cb 0.35 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 39.81 2woe n LEU 272 CO 0.33 -0.15 1.11 -0.67 -1.33 0.00 0.00 177.39 176.67 2woe n ASP 273 N -0.22 3.18 -0.12 -1.43 2.03 -1.26 -4.87 116.55 113.86 2woe n ASP 273 Ca 0.05 1.14 -0.04 0.00 0.52 0.00 0.00 54.79 56.46 2woe n ASP 273 Cb 0.41 -1.49 0.03 0.00 -0.72 0.00 0.00 41.12 39.35 2woe n ASP 273 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2woe h MET 274 N 4.49 0.07 -0.67 -0.67 1.85 -1.95 -0.79 114.93 117.25 2woe h MET 274 Ca -0.46 -0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.56 2woe h MET 274 Cb 1.26 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 33.24 2woe h MET 274 CO 0.78 0.04 0.13 0.87 -0.40 0.00 0.00 176.91 178.33 2woe h LYS 275 N 0.07 1.10 0.28 0.39 1.57 -1.99 -0.66 116.57 117.33 2woe h LYS 275 Ca 0.20 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2woe h LYS 275 Cb 0.30 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2woe h LYS 275 CO -0.37 1.00 -0.13 0.28 -0.57 0.00 0.00 179.45 179.66 2woe h VAL 276 N 1.02 0.73 -0.63 0.50 2.07 -1.84 -1.34 116.25 116.76 2woe h VAL 276 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.79 2woe h VAL 276 Cb 0.42 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 2woe h VAL 276 CO 0.01 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 177.85 2woe h GLU 277 N -0.37 0.59 -0.63 1.57 4.81 -1.00 -0.17 114.58 119.36 2woe h GLU 277 Ca -0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2woe h GLU 277 Cb 0.29 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2woe h GLU 277 CO 0.06 0.39 0.36 -0.09 -0.73 0.00 0.00 179.01 179.00 2woe h ARG 278 N 0.60 0.87 -0.44 1.92 2.43 -0.99 -1.62 114.38 117.16 2woe h ARG 278 Ca 0.29 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2woe h ARG 278 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2woe h ARG 278 CO -0.20 0.65 -0.21 1.49 -1.51 0.00 0.00 179.97 180.19 2woe h GLU 279 N 0.85 0.88 -0.15 0.20 4.57 -0.73 -0.68 114.58 119.52 2woe h GLU 279 Ca 0.22 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2woe h GLU 279 Cb 0.02 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2woe h GLU 279 CO -0.04 1.01 0.10 0.82 -1.18 0.00 0.00 179.01 179.71 2woe h ILE 280 N 0.77 1.05 -0.32 2.32 2.04 -0.77 -0.57 117.51 122.03 2woe h ILE 280 Ca 0.11 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2woe h ILE 280 Cb 0.75 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2woe h ILE 280 CO 0.06 0.05 0.17 0.03 0.00 0.00 0.00 178.15 178.45 2woe h ARG 281 N 0.19 0.34 -0.20 2.37 3.08 -1.14 0.48 114.38 119.49 2woe h ARG 281 Ca 0.05 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.13 2woe h ARG 281 Cb -0.00 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2woe h ARG 281 CO -0.01 0.22 -0.06 -0.09 -1.07 0.00 0.00 179.97 178.96 2woe h ARG 282 N 0.35 -0.02 -0.66 0.04 2.43 -0.96 -2.47 114.38 113.10 2woe h ARG 282 Ca 0.13 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2woe h ARG 282 Cb 0.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2woe h ARG 282 CO -0.08 -0.01 0.09 1.96 -1.51 0.00 0.00 179.97 180.42 2woe h GLN 283 N -0.02 1.10 -0.48 0.20 4.20 -0.73 -1.03 115.11 118.35 2woe h GLN 283 Ca 0.10 -0.30 0.07 0.00 0.06 0.00 0.00 58.65 58.57 2woe h GLN 283 Cb 0.17 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 2woe h GLN 283 CO -0.22 1.02 0.17 0.28 -0.67 0.00 0.00 178.83 179.40 2woe h VAL 284 N 1.02 0.83 -0.38 -0.54 2.07 -0.76 0.21 116.25 118.71 2woe h VAL 284 Ca 0.20 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2woe h VAL 284 Cb 0.46 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2woe h VAL 284 CO 0.02 0.06 0.14 0.44 0.02 0.00 0.00 177.57 178.24 2woe h ASP 285 N 0.34 0.53 -0.63 0.57 3.32 -1.18 -1.26 116.42 118.11 2woe h ASP 285 Ca 0.23 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2woe h ASP 285 Cb 0.25 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2woe h ASP 285 CO -0.24 0.57 0.20 0.00 -1.72 0.00 0.00 179.24 178.05 2woe h ALA 286 N 0.98 0.83 -0.19 3.45 0.00 -0.78 -1.41 119.26 122.14 2woe h ALA 286 Ca 0.12 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2woe h ALA 286 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2woe h ALA 286 CO -0.01 0.50 -0.65 -0.07 0.00 0.00 0.00 179.25 179.02 2woe h LEU 287 N 0.91 0.80 -0.99 0.00 3.38 -0.55 -0.92 115.31 117.94 2woe h LEU 287 Ca 0.20 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2woe h LEU 287 Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2woe h LEU 287 CO -0.01 1.24 0.15 -0.07 0.09 0.00 0.00 178.44 179.84 2woe h LEU 288 N 0.51 0.82 -0.53 1.67 3.38 -1.19 0.27 115.31 120.25 2woe h LEU 288 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2woe h LEU 288 Cb 1.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2woe h LEU 288 CO 0.13 0.79 0.23 0.00 0.09 0.00 0.00 178.44 179.69 2woe h ALA 289 N 1.31 0.68 -0.36 1.53 0.00 -1.02 0.68 119.26 122.08 2woe h ALA 289 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2woe h ALA 289 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2woe h ALA 289 CO -0.00 0.26 0.16 1.25 0.00 0.00 0.00 179.25 180.92 2woe h LEU 290 N 0.71 0.48 -0.94 0.00 5.85 -0.73 -1.97 115.31 118.71 2woe h LEU 290 Ca 0.18 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2woe h LEU 290 Cb 0.15 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2woe h LEU 290 CO -0.02 0.49 0.60 0.00 -0.34 0.00 0.00 178.44 179.17 2woe h ALA 291 N 1.00 1.29 0.00 1.25 0.00 -0.31 -3.47 119.26 119.01 2woe h ALA 291 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2woe h ALA 291 Cb 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2woe h ALA 291 CO -0.01 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2woe n GLY 292 N -1.35 1.52 0.00 0.00 0.00 0.64 -3.54 105.19 102.46 2woe n GLY 292 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2woe n GLY 292 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36