#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oha s VAL 1 N 0.00 -0.04 0.38 3.17 1.01 -1.26 -5.06 120.40 118.60 2oha s VAL 1 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2oha s VAL 1 Cb 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 35.97 2oha s VAL 1 CO 0.00 0.06 0.82 -0.76 0.00 0.00 0.00 175.10 175.22 2oha s LEU 2 N 1.13 3.96 0.70 3.92 1.02 -1.26 -5.06 118.68 123.08 2oha s LEU 2 Ca -0.08 1.40 -0.10 0.00 0.02 0.00 0.00 54.13 55.37 2oha s LEU 2 Cb -0.10 -4.24 0.03 0.00 0.02 0.00 0.00 46.19 41.90 2oha s LEU 2 CO -0.07 -0.30 1.05 -0.94 0.02 0.00 0.00 176.35 176.11 2oha s SER 3 N -2.42 5.23 0.28 2.29 1.04 -1.26 -4.89 113.70 113.96 2oha s SER 3 Ca 0.56 0.88 -0.02 0.00 0.48 0.00 0.00 55.95 57.85 2oha s SER 3 Cb -0.10 -1.65 0.38 0.00 0.10 0.00 0.00 66.02 64.76 2oha s SER 3 CO 0.19 -1.41 1.85 -0.08 0.98 0.00 0.00 173.24 174.77 2oha h GLU 4 N -0.61 0.91 -0.84 4.02 4.57 -1.99 -1.30 114.58 119.35 2oha h GLU 4 Ca -0.45 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 57.60 2oha h GLU 4 Cb 1.28 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 2oha h GLU 4 CO 0.63 0.76 0.55 0.78 -1.18 0.00 0.00 179.01 180.55 2oha h GLY 5 N 1.01 1.21 0.97 1.92 0.00 -1.99 0.79 103.07 106.97 2oha h GLY 5 Ca 0.21 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 2oha h GLY 5 CO -0.01 0.38 -0.09 0.83 0.00 0.00 0.00 176.54 177.64 2oha h GLU 6 N 1.08 0.75 -0.71 4.80 5.08 -1.77 -2.45 114.58 121.37 2oha h GLU 6 Ca 0.33 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2oha h GLU 6 Cb -0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2oha h GLU 6 CO -0.10 0.89 0.45 -1.49 -1.00 0.00 0.00 179.01 177.76 2oha h TRP 7 N 0.56 0.90 -0.87 4.33 4.06 -0.75 -1.93 115.95 122.25 2oha h TRP 7 Ca 0.10 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 2oha h TRP 7 Cb 0.61 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 2oha h TRP 7 CO 0.05 0.59 0.47 1.96 -3.56 0.00 0.00 178.44 177.94 2oha h GLN 8 N 0.96 1.23 -0.51 0.49 4.20 -0.47 0.14 115.11 121.14 2oha h GLN 8 Ca 0.26 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2oha h GLN 8 Cb -0.08 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.45 2oha h GLN 8 CO -0.05 0.91 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.91 2oha h LEU 9 N 1.23 0.87 -0.06 1.46 3.38 -0.98 0.07 115.31 121.27 2oha h LEU 9 Ca 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2oha h LEU 9 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2oha h LEU 9 CO -0.05 0.95 0.00 0.58 0.09 0.00 0.00 178.44 180.02 2oha h VAL 10 N 0.82 1.25 0.00 1.22 2.07 -0.80 -2.88 116.25 117.93 2oha h VAL 10 Ca 0.15 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2oha h VAL 10 Cb 0.54 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2oha h VAL 10 CO 0.03 0.21 -0.28 -0.07 0.02 0.00 0.00 177.57 177.48 2oha h LEU 11 N -0.17 0.00 -0.17 2.57 3.38 -0.64 -1.72 115.31 118.56 2oha h LEU 11 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2oha h LEU 11 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2oha h LEU 11 CO 0.00 0.28 -0.04 -0.74 0.09 0.00 0.00 178.44 178.03 2oha h HIS 12 N 0.00 0.37 -0.04 1.13 2.76 -0.94 -1.41 115.15 117.02 2oha h HIS 12 Ca -0.00 -0.08 -0.15 0.00 -2.20 0.00 0.00 60.37 57.93 2oha h HIS 12 Cb 0.86 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2oha h HIS 12 CO 0.00 0.60 -0.66 -0.24 -1.30 0.00 0.00 177.93 176.33 2oha h VAL 13 N 0.04 1.43 -0.26 5.26 3.04 -1.44 -3.01 116.25 121.31 2oha h VAL 13 Ca 0.04 -2.16 -0.05 0.00 -1.01 0.00 0.00 66.70 63.52 2oha h VAL 13 Cb 0.48 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 2oha h VAL 13 CO 0.02 0.63 -0.05 -0.25 -1.01 0.00 0.00 177.57 176.91 2oha h TRP 14 N 0.11 0.42 -0.18 3.17 2.91 -1.16 -1.23 115.95 119.98 2oha h TRP 14 Ca -0.01 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 2oha h TRP 14 Cb 1.19 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.71 2oha h TRP 14 CO 0.02 0.46 0.06 0.00 -1.03 0.00 0.00 178.44 177.95 2oha h ALA 15 N 1.56 1.76 -0.06 2.65 0.00 -1.12 0.11 119.26 124.17 2oha h ALA 15 Ca 0.08 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2oha h ALA 15 Cb 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2oha h ALA 15 CO 0.01 0.19 -0.79 0.87 0.00 0.00 0.00 179.25 179.53 2oha h LYS 16 N 0.25 0.65 -0.96 0.00 1.79 -1.27 -3.07 116.57 113.96 2oha h LYS 16 Ca 0.06 -0.61 0.07 0.00 -2.18 0.00 0.00 60.65 57.99 2oha h LYS 16 Cb 0.08 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.82 2oha h LYS 16 CO -0.01 1.22 0.62 0.28 -1.08 0.00 0.00 179.45 180.49 2oha h VAL 17 N 0.30 1.07 0.00 0.50 2.07 -0.39 -1.46 116.25 118.34 2oha h VAL 17 Ca -0.08 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2oha h VAL 17 Cb 1.45 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2oha h VAL 17 CO 0.16 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.33 2oha n GLU 18 N -4.50 0.07 0.27 1.57 1.02 0.29 -1.75 120.64 117.60 2oha n GLU 18 Ca 0.15 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.82 2oha n GLU 18 Cb 0.20 -1.65 0.73 0.00 -0.02 0.00 0.00 31.44 30.70 2oha n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oha h ALA 19 N 2.29 1.14 -1.17 0.62 0.00 -1.26 -3.35 119.26 117.53 2oha h ALA 19 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.44 2oha h ALA 19 Cb 0.21 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 17.72 2oha h ALA 19 CO 0.00 0.12 -0.77 -3.47 0.00 0.00 0.00 179.25 175.13 2oha n ASP 20 N -3.41 -1.59 -0.23 0.00 2.03 -0.72 -5.01 116.55 107.62 2oha n ASP 20 Ca -0.01 -2.91 -0.06 0.00 0.52 0.00 0.00 54.79 52.33 2oha n ASP 20 Cb 0.27 0.64 0.04 0.00 -0.72 0.00 0.00 41.12 41.34 2oha n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2oha h VAL 21 N 3.19 1.21 -0.61 5.18 2.07 -1.69 -2.23 116.25 123.37 2oha h VAL 21 Ca 0.02 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2oha h VAL 21 Cb 0.97 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2oha h VAL 21 CO 0.33 0.23 0.32 0.00 0.02 0.00 0.00 177.57 178.47 2oha h ALA 22 N 1.16 0.78 -0.59 1.67 0.00 -1.90 0.07 119.26 120.46 2oha h ALA 22 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2oha h ALA 22 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2oha h ALA 22 CO -0.03 0.31 0.29 0.78 0.00 0.00 0.00 179.25 180.59 2oha h GLY 23 N 0.83 0.90 1.44 0.00 0.00 -1.90 -1.38 103.07 102.96 2oha h GLY 23 Ca 0.21 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2oha h GLY 23 CO -0.03 0.42 -0.33 0.45 0.00 0.00 0.00 176.54 177.05 2oha h HIS 24 N 0.80 0.73 -0.61 5.60 3.86 -1.16 -1.94 115.15 122.43 2oha h HIS 24 Ca 0.20 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2oha h HIS 24 Cb 0.11 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 2oha h HIS 24 CO -0.00 0.88 0.19 0.78 0.86 0.00 0.00 177.93 180.64 2oha h GLY 25 N 1.01 1.02 0.93 2.45 0.00 -0.67 -1.10 103.07 106.71 2oha h GLY 25 Ca 0.06 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2oha h GLY 25 CO 0.07 0.56 0.02 1.46 0.00 0.00 0.00 176.54 178.66 2oha h GLN 26 N 0.87 0.06 -0.89 4.80 4.20 -1.10 -1.28 115.11 121.77 2oha h GLN 26 Ca 0.20 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.93 2oha h GLN 26 Cb 0.29 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 2oha h GLN 26 CO -0.01 0.11 0.58 -0.44 -0.67 0.00 0.00 178.83 178.40 2oha h ASP 27 N -0.01 0.96 -0.07 1.46 3.32 -1.15 -0.64 116.42 120.28 2oha h ASP 27 Ca 0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2oha h ASP 27 Cb 0.07 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2oha h ASP 27 CO -0.00 0.66 -0.06 0.40 -1.72 0.00 0.00 179.24 178.52 2oha h ILE 28 N 1.12 1.35 -0.46 0.35 2.04 -1.06 -0.92 117.51 119.94 2oha h ILE 28 Ca 0.35 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 2oha h ILE 28 Cb -0.00 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2oha h ILE 28 CO -0.12 0.32 -0.04 -0.07 0.00 0.00 0.00 178.15 178.24 2oha h LEU 29 N -0.24 0.76 -0.46 1.44 3.38 -1.14 -0.63 115.31 118.42 2oha h LEU 29 Ca 0.01 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2oha h LEU 29 Cb 0.54 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2oha h LEU 29 CO 0.02 0.85 -0.08 0.40 0.09 0.00 0.00 178.44 179.72 2oha h ILE 30 N 0.72 1.27 -0.76 1.22 2.04 -1.10 -0.70 117.51 120.20 2oha h ILE 30 Ca 0.13 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 2oha h ILE 30 Cb 0.50 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2oha h ILE 30 CO 0.03 0.41 0.41 -0.09 0.00 0.00 0.00 178.15 178.90 2oha h ARG 31 N 0.72 1.06 -0.02 2.37 9.65 -0.95 0.10 114.38 127.31 2oha h ARG 31 Ca 0.12 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2oha h ARG 31 Cb 0.61 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 2oha h ARG 31 CO 0.04 0.80 0.01 1.25 2.80 0.00 0.00 179.97 184.87 2oha h LEU 32 N 1.05 0.02 -1.29 3.80 5.85 -0.78 -0.34 115.31 123.62 2oha h LEU 32 Ca 0.27 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2oha h LEU 32 Cb 0.05 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2oha h LEU 32 CO -0.04 0.04 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.67 2oha h PHE 33 N -0.00 0.29 0.05 1.25 0.04 -0.78 0.07 116.94 117.86 2oha h PHE 33 Ca 0.01 -0.04 -0.21 0.00 2.80 0.00 0.00 57.97 60.52 2oha h PHE 33 Cb 0.02 -0.08 0.02 0.00 2.20 0.00 0.00 35.95 38.11 2oha h PHE 33 CO -0.07 0.44 -0.87 0.87 -0.60 0.00 0.00 178.31 178.08 2oha h LYS 34 N 0.26 0.50 -0.01 1.51 1.57 -0.80 -2.69 116.57 116.91 2oha h LYS 34 Ca 0.05 -0.61 -0.17 0.00 -1.87 0.00 0.00 60.65 58.05 2oha h LYS 34 Cb 0.46 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2oha h LYS 34 CO 0.03 1.23 -0.77 0.77 -0.57 0.00 0.00 179.45 180.14 2oha h SER 35 N 0.04 0.11 -2.19 0.86 0.02 -0.92 -3.38 113.55 108.09 2oha h SER 35 Ca -0.12 -0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.17 2oha h SER 35 Cb 1.58 -0.03 -0.38 0.00 0.14 0.00 0.00 62.40 63.70 2oha h SER 35 CO 0.17 0.84 -1.03 1.41 -1.14 0.00 0.00 176.83 177.07 2oha n HIS 36 N -3.68 -0.73 -0.16 3.45 8.25 -0.00 -5.00 115.22 117.35 2oha n HIS 36 Ca -0.02 -3.39 0.29 0.00 -0.26 0.00 0.00 57.72 54.33 2oha n HIS 36 Cb 0.74 0.02 0.72 0.00 1.12 0.00 0.00 29.99 32.58 2oha n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2oha h PRO 37 N 4.92 0.00 0.00 -0.41 0.11 -1.66 -0.14 132.00 134.82 2oha h PRO 37 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2oha h PRO 37 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2oha h PRO 37 CO 0.41 0.00 -0.05 1.05 -0.21 0.00 0.00 178.00 179.19 2oha h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.78 114.58 121.02 2oha h GLU 38 Ca 0.42 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.74 2oha h GLU 38 Cb 1.83 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.92 2oha h GLU 38 CO -0.00 0.05 -0.43 1.79 0.05 0.00 0.00 179.01 180.47 2oha h THR 39 N 0.00 1.21 0.00 -1.06 1.35 -1.35 -2.74 112.91 110.32 2oha h THR 39 Ca -0.00 -1.54 -0.05 0.00 -0.55 0.00 0.00 66.41 64.27 2oha h THR 39 Cb 0.20 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 2oha h THR 39 CO 0.01 0.43 -0.23 0.25 -0.25 0.00 0.00 175.52 175.72 2oha h LEU 40 N 0.00 0.00 -1.93 3.87 5.85 -1.48 -2.14 115.31 119.47 2oha h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2oha h LEU 40 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2oha h LEU 40 CO 0.06 0.23 0.00 -0.33 -0.34 0.00 0.00 178.44 178.06 2oha h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.57 -1.06 114.58 117.59 2oha h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2oha h GLU 41 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2oha h GLU 41 CO 0.03 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.51 2oha n LYS 42 N -2.89 0.18 -3.45 2.33 4.76 -0.80 -4.52 118.16 113.77 2oha n LYS 42 Ca -0.01 0.20 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 2oha n LYS 42 Cb 0.18 -1.73 -0.06 0.00 -1.84 0.00 0.00 35.03 31.58 2oha n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2oha s PHE 43 N -3.11 3.48 0.57 2.13 0.40 -0.40 -4.89 117.98 116.16 2oha s PHE 43 Ca 0.10 -1.87 0.27 0.00 -0.60 0.00 0.00 56.93 54.83 2oha s PHE 43 Cb 0.13 -3.63 1.65 0.00 0.51 0.00 0.00 43.02 41.68 2oha s PHE 43 CO 0.53 -0.98 2.18 -0.44 0.70 0.00 0.00 175.22 177.21 2oha h ASP 44 N 8.18 0.00 0.68 1.36 3.32 -1.83 0.13 116.42 128.26 2oha h ASP 44 Ca -0.12 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 2oha h ASP 44 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2oha h ASP 44 CO 0.86 0.00 -0.38 -0.09 -1.72 0.00 0.00 179.24 177.91 2oha h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.93 -3.35 114.38 115.09 2oha h ARG 45 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2oha h ARG 45 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2oha h ARG 45 CO -0.00 0.38 0.00 1.19 -1.51 0.00 0.00 179.97 180.03 2oha n PHE 46 N -3.68 0.00 0.17 2.20 3.72 -0.40 -4.81 117.46 114.66 2oha n PHE 46 Ca -0.01 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2oha n PHE 46 Cb 0.48 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.12 2oha n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2oha n LYS 47 N -0.45 0.00 0.21 -1.08 2.85 0.33 -1.47 118.16 118.55 2oha n LYS 47 Ca 0.00 0.41 0.12 0.00 -1.05 0.00 0.00 58.31 57.79 2oha n LYS 47 Cb 0.02 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.05 2oha n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2oha h HIS 48 N 0.00 0.00 -2.51 5.58 2.07 -1.86 -3.45 115.15 114.98 2oha h HIS 48 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 2oha h HIS 48 Cb 0.08 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.09 2oha h HIS 48 CO 0.00 0.02 1.13 -0.51 -3.07 0.00 0.00 177.93 175.50 2oha s LEU 49 N -6.17 4.40 -0.13 6.12 1.43 -0.54 -4.90 118.68 118.88 2oha s LEU 49 Ca 0.06 2.66 0.13 0.00 -1.03 0.00 0.00 54.13 55.95 2oha s LEU 49 Cb 0.05 -3.55 -0.24 0.00 0.03 0.00 0.00 46.19 42.48 2oha s LEU 49 CO 0.68 -1.00 0.32 0.29 0.23 0.00 0.00 176.35 176.87 2oha n LYS 50 N 6.30 0.67 -4.34 1.70 5.02 -1.26 -5.00 118.16 121.25 2oha n LYS 50 Ca 0.18 0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 56.45 2oha n LYS 50 Cb 0.40 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 2oha n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2oha s THR 51 N -2.54 0.92 0.34 -0.18 -4.23 -1.26 -5.03 115.64 103.66 2oha s THR 51 Ca -0.10 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2oha s THR 51 Cb 0.07 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.63 2oha s THR 51 CO 0.81 -0.21 1.91 -0.08 -0.54 0.00 0.00 174.62 176.50 2oha h GLU 52 N 2.42 0.57 -0.44 3.99 4.81 -1.98 -1.49 114.58 122.45 2oha h GLU 52 Ca -0.39 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2oha h GLU 52 Cb 1.23 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2oha h GLU 52 CO 0.64 0.54 0.24 0.00 -0.73 0.00 0.00 179.01 179.70 2oha h ALA 53 N 1.53 0.57 -0.46 2.92 0.00 -1.99 0.12 119.26 121.94 2oha h ALA 53 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2oha h ALA 53 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2oha h ALA 53 CO -0.00 0.10 -0.02 0.93 0.00 0.00 0.00 179.25 180.27 2oha h GLU 54 N 0.58 0.77 -0.42 0.00 5.08 -1.83 -2.01 114.58 116.74 2oha h GLU 54 Ca 0.16 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2oha h GLU 54 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2oha h GLU 54 CO -0.02 0.79 0.17 0.52 -1.00 0.00 0.00 179.01 179.46 2oha h MET 55 N 0.72 0.62 -0.30 2.33 2.86 -0.72 -2.38 114.93 118.05 2oha h MET 55 Ca 0.14 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2oha h MET 55 Cb 0.46 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 2oha h MET 55 CO 0.02 0.58 -0.00 0.87 1.06 0.00 0.00 176.91 179.44 2oha h LYS 56 N 0.53 0.46 -0.00 1.72 1.57 -0.54 -2.59 116.57 117.72 2oha h LYS 56 Ca 0.14 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2oha h LYS 56 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2oha h LYS 56 CO -0.01 0.49 -0.05 0.00 -0.57 0.00 0.00 179.45 179.32 2oha n ALA 57 N -2.48 2.47 -2.59 3.86 0.00 -0.78 -4.79 120.51 116.19 2oha n ALA 57 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2oha n ALA 57 Cb 0.23 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 2oha n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2oha s SER 58 N -2.94 6.57 0.32 0.00 0.15 -0.92 -4.88 113.70 112.01 2oha s SER 58 Ca 0.16 0.32 0.04 0.00 0.70 0.00 0.00 55.95 57.17 2oha s SER 58 Cb 0.19 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.52 2oha s SER 58 CO 0.54 -1.29 1.84 -0.08 1.20 0.00 0.00 173.24 175.44 2oha h GLU 59 N 9.30 0.51 -0.66 5.44 4.57 -1.88 -1.86 114.58 130.00 2oha h GLU 59 Ca -0.24 -0.13 -0.07 0.00 -1.18 0.00 0.00 59.36 57.75 2oha h GLU 59 Cb 1.06 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 2oha h GLU 59 CO 1.13 0.59 0.15 0.22 -1.18 0.00 0.00 179.01 179.92 2oha h ASP 60 N 0.48 1.01 -0.29 1.04 3.58 -1.96 -0.28 116.42 120.00 2oha h ASP 60 Ca 0.10 -0.24 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 2oha h ASP 60 Cb 0.41 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2oha h ASP 60 CO 0.02 0.99 -0.26 0.25 -2.88 0.00 0.00 179.24 177.36 2oha h LEU 61 N 0.98 0.80 -0.55 2.28 5.85 -1.81 -1.21 115.31 121.64 2oha h LEU 61 Ca 0.21 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2oha h LEU 61 Cb 0.38 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2oha h LEU 61 CO 0.00 1.02 0.27 0.50 -0.34 0.00 0.00 178.44 179.89 2oha h LYS 62 N 0.67 0.79 -0.59 1.25 3.64 -0.95 0.05 116.57 121.43 2oha h LYS 62 Ca 0.09 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2oha h LYS 62 Cb 0.78 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2oha h LYS 62 CO 0.06 0.64 0.36 0.87 -2.27 0.00 0.00 179.45 179.12 2oha h LYS 63 N 0.74 0.80 -0.50 1.90 1.79 -0.77 -1.94 116.57 118.59 2oha h LYS 63 Ca 0.19 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.52 2oha h LYS 63 Cb 0.11 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 2oha h LYS 63 CO -0.03 0.57 0.01 1.25 -1.08 0.00 0.00 179.45 180.17 2oha h HIS 64 N 0.80 0.87 -0.68 -1.35 2.76 -0.88 -2.24 115.15 114.44 2oha h HIS 64 Ca 0.21 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2oha h HIS 64 Cb -0.03 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.65 2oha h HIS 64 CO -0.02 0.80 0.43 0.78 -1.30 0.00 0.00 177.93 178.61 2oha h GLY 65 N 0.98 0.96 0.94 5.26 0.00 -0.42 0.22 103.07 111.01 2oha h GLY 65 Ca 0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2oha h GLY 65 CO 0.02 0.37 0.09 -2.08 0.00 0.00 0.00 176.54 174.93 2oha h VAL 66 N 0.92 1.23 -0.53 4.60 2.07 -0.92 -1.46 116.25 122.17 2oha h VAL 66 Ca 0.25 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2oha h VAL 66 Cb -0.07 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2oha h VAL 66 CO -0.05 0.28 0.34 0.74 0.02 0.00 0.00 177.57 178.91 2oha h THR 67 N 0.51 1.11 0.24 2.57 2.02 -0.79 -0.24 112.91 118.34 2oha h THR 67 Ca 0.13 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2oha h THR 67 Cb 0.33 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2oha h THR 67 CO 0.00 0.13 -0.12 0.58 0.37 0.00 0.00 175.52 176.48 2oha h VAL 68 N 0.69 0.81 0.00 3.16 2.07 -0.82 -2.00 116.25 120.17 2oha h VAL 68 Ca 0.20 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 2oha h VAL 68 Cb -0.05 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2oha h VAL 68 CO -0.06 0.07 -0.38 -0.07 0.02 0.00 0.00 177.57 177.15 2oha h LEU 69 N -0.48 0.00 -0.38 2.57 3.38 -1.18 -1.36 115.31 117.87 2oha h LEU 69 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2oha h LEU 69 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2oha h LEU 69 CO 0.05 0.38 -0.26 0.74 0.09 0.00 0.00 178.44 179.44 2oha h THR 70 N 0.00 1.28 -0.64 0.22 2.02 -0.97 0.12 112.91 114.94 2oha h THR 70 Ca -0.00 -1.41 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 2oha h THR 70 Cb 0.69 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2oha h THR 70 CO 0.05 0.47 0.21 0.00 0.37 0.00 0.00 175.52 176.61 2oha h ALA 71 N 0.78 0.84 -0.40 6.16 0.00 -1.03 -1.77 119.26 123.84 2oha h ALA 71 Ca 0.07 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2oha h ALA 71 Cb 0.83 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2oha h ALA 71 CO 0.07 0.50 -0.25 1.25 0.00 0.00 0.00 179.25 180.82 2oha h LEU 72 N 0.92 0.85 -0.87 0.00 5.85 -1.12 -2.62 115.31 118.33 2oha h LEU 72 Ca 0.21 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2oha h LEU 72 Cb 0.28 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2oha h LEU 72 CO -0.01 1.05 0.32 1.23 -0.34 0.00 0.00 178.44 180.70 2oha h GLY 73 N 0.94 1.23 1.27 3.75 0.00 -0.58 0.28 103.07 109.96 2oha h GLY 73 Ca 0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 2oha h GLY 73 CO 0.06 0.62 0.17 0.00 0.00 0.00 0.00 176.54 177.39 2oha h ALA 74 N 1.22 1.17 0.01 3.60 0.00 -1.13 -0.61 119.26 123.53 2oha h ALA 74 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2oha h ALA 74 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2oha h ALA 74 CO -0.02 0.57 -0.01 0.82 0.00 0.00 0.00 179.25 180.61 2oha h ILE 75 N 0.88 1.27 -0.90 0.00 2.04 -1.04 -3.02 117.51 116.74 2oha h ILE 75 Ca 0.20 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2oha h ILE 75 Cb 0.28 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2oha h ILE 75 CO -0.01 0.22 0.59 -0.07 0.00 0.00 0.00 178.15 178.88 2oha h LEU 76 N -0.39 0.96 -2.02 1.44 3.38 -0.70 -1.78 115.31 116.20 2oha h LEU 76 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2oha h LEU 76 Cb 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2oha h LEU 76 CO 0.00 0.66 0.00 0.11 0.09 0.00 0.00 178.44 179.30 2oha h LYS 77 N 1.12 0.00 0.00 1.13 1.57 -1.07 -0.65 116.57 118.67 2oha h LYS 77 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2oha h LYS 77 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2oha h LYS 77 CO -0.11 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.40 2oha n LYS 78 N -2.99 0.01 -3.93 3.15 4.76 -0.67 -4.93 118.16 113.57 2oha n LYS 78 Ca -0.01 0.09 -0.26 0.00 -2.87 0.00 0.00 58.31 55.26 2oha n LYS 78 Cb 0.19 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 2oha n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2oha n LYS 79 N -1.52 -3.69 0.00 1.97 5.02 -0.25 -1.51 118.16 118.17 2oha n LYS 79 Ca 0.06 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2oha n LYS 79 Cb 0.29 -4.74 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 2oha n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oha n GLY 80 N -1.85 3.41 2.50 0.72 0.00 -1.26 -4.94 105.19 103.77 2oha n GLY 80 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2oha n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2oha n HIS 81 N -1.87 2.54 -0.95 1.61 8.25 -0.57 -4.63 115.22 119.60 2oha n HIS 81 Ca 0.00 -2.71 0.08 0.00 -0.26 0.00 0.00 57.72 54.83 2oha n HIS 81 Cb 0.00 -1.71 0.26 0.00 1.12 0.00 0.00 29.99 29.66 2oha n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2oha n HIS 82 N 1.40 0.98 -0.25 4.41 1.44 -1.26 -4.69 115.22 117.24 2oha n HIS 82 Ca 0.59 -0.85 0.04 0.00 -2.01 0.00 0.00 57.72 55.49 2oha n HIS 82 Cb 0.27 -0.31 0.17 0.00 0.12 0.00 0.00 29.99 30.24 2oha n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 2oha h GLU 83 N 1.93 0.49 -0.55 -1.40 9.09 -2.00 0.21 114.58 122.34 2oha h GLU 83 Ca 0.00 -0.03 -0.10 0.00 0.05 0.00 0.00 59.36 59.28 2oha h GLU 83 Cb 1.44 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 28.41 2oha h GLU 83 CO 0.23 0.32 -0.05 0.00 0.05 0.00 0.00 179.01 179.56 2oha h ALA 84 N 1.51 0.86 -0.09 1.06 0.00 -2.00 -2.79 119.26 117.80 2oha h ALA 84 Ca 0.40 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2oha h ALA 84 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2oha h ALA 84 CO -0.36 0.66 -0.55 0.93 0.00 0.00 0.00 179.25 179.93 2oha h GLU 85 N 0.90 0.26 0.00 0.00 3.07 -1.74 -3.18 114.58 113.89 2oha h GLU 85 Ca 0.15 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 2oha h GLU 85 Cb 0.60 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2oha h GLU 85 CO 0.04 0.75 -0.39 -0.07 -1.40 0.00 0.00 179.01 177.93 2oha h LEU 86 N 0.20 0.00 0.41 1.33 4.07 -0.72 -3.32 115.31 117.28 2oha h LEU 86 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2oha h LEU 86 Cb 1.03 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 2oha h LEU 86 CO 0.09 0.39 -0.36 0.11 -1.08 0.00 0.00 178.44 177.59 2oha h LYS 87 N 0.00 -0.75 -0.22 1.13 1.57 -1.48 0.38 116.57 117.20 2oha h LYS 87 Ca -0.00 0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2oha h LYS 87 Cb 0.81 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2oha h LYS 87 CO 0.05 -0.50 -0.24 -1.00 -0.57 0.00 0.00 179.45 177.19 2oha h PRO 88 N -0.78 0.41 -0.20 3.15 0.13 -1.76 -0.98 132.00 131.98 2oha h PRO 88 Ca -0.04 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 2oha h PRO 88 Cb 0.68 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2oha h PRO 88 CO -0.03 0.63 0.01 1.25 -0.23 0.00 0.00 178.00 179.62 2oha h LEU 89 N 0.37 0.33 -0.54 1.56 5.85 -1.64 -1.30 115.31 119.95 2oha h LEU 89 Ca 0.06 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2oha h LEU 89 Cb 0.62 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2oha h LEU 89 CO 0.04 0.55 0.18 0.00 -0.34 0.00 0.00 178.44 178.88 2oha h ALA 90 N 0.79 0.70 -0.02 1.25 0.00 -0.81 -1.34 119.26 119.83 2oha h ALA 90 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2oha h ALA 90 Cb 0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2oha h ALA 90 CO 0.01 0.34 0.01 0.37 0.00 0.00 0.00 179.25 179.98 2oha h GLN 91 N 0.74 0.03 -0.54 0.00 4.15 -1.05 0.51 115.11 118.94 2oha h GLN 91 Ca 0.17 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 2oha h GLN 91 Cb 0.25 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2oha h GLN 91 CO -0.01 0.13 0.02 0.66 -1.93 0.00 0.00 178.83 177.70 2oha h SER 92 N -0.08 0.92 0.67 -0.69 4.64 -1.20 0.06 113.55 117.87 2oha h SER 92 Ca 0.01 -0.30 -0.11 0.00 -0.47 0.00 0.00 61.79 60.91 2oha h SER 92 Cb 0.11 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2oha h SER 92 CO -0.00 0.99 -0.55 0.45 -0.87 0.00 0.00 176.83 176.86 2oha h HIS 93 N 0.82 0.00 0.17 4.77 3.86 -1.15 0.50 115.15 124.12 2oha h HIS 93 Ca 0.15 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.11 2oha h HIS 93 Cb 0.51 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.00 2oha h HIS 93 CO 0.04 0.55 -1.17 0.00 0.86 0.00 0.00 177.93 178.20 2oha h ALA 94 N 1.45 -0.04 0.06 2.45 0.00 -0.81 0.14 119.26 122.52 2oha h ALA 94 Ca -0.01 -0.85 -0.37 0.00 0.00 0.00 0.00 54.91 53.69 2oha h ALA 94 Cb 1.03 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2oha h ALA 94 CO 0.07 0.59 -2.15 2.41 0.00 0.00 0.00 179.25 180.17 2oha n THR 95 N -3.95 1.64 -0.08 0.00 -1.04 -0.00 -3.83 114.28 107.01 2oha n THR 95 Ca -0.18 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.05 61.07 2oha n THR 95 Cb 0.93 -1.46 -0.04 0.00 -1.82 0.00 0.00 70.33 67.94 2oha n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2oha n LYS 96 N -3.31 0.50 0.11 -2.82 4.81 -0.08 -4.63 118.16 112.73 2oha n LYS 96 Ca -0.35 0.44 -0.02 0.00 -0.87 0.00 0.00 58.31 57.51 2oha n LYS 96 Cb 1.04 -1.62 0.01 0.00 0.02 0.00 0.00 35.03 34.48 2oha n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2oha h HIS 97 N -1.00 0.00 -5.58 5.64 3.86 -1.15 -3.49 115.15 113.43 2oha h HIS 97 Ca -0.10 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.85 2oha h HIS 97 Cb 0.82 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.45 2oha h HIS 97 CO -0.22 0.74 -0.79 1.63 0.86 0.00 0.00 177.93 180.15 2oha n LYS 98 N -3.40 -1.98 -3.40 2.45 4.01 -0.24 -4.98 118.16 110.61 2oha n LYS 98 Ca 0.00 0.86 -0.44 0.00 -0.51 0.00 0.00 58.31 58.23 2oha n LYS 98 Cb 0.79 -5.52 -0.09 0.00 -0.51 0.00 0.00 35.03 29.71 2oha n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2oha s ILE 99 N -3.36 5.21 0.67 -0.18 -1.09 0.33 -5.02 121.20 117.76 2oha s ILE 99 Ca 0.41 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 57.90 2oha s ILE 99 Cb -0.07 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2oha s ILE 99 CO 0.76 -0.46 1.18 -2.16 -1.23 0.00 0.00 174.94 173.03 2oha s PRO 100 N 1.77 2.55 0.36 2.79 0.04 -1.26 -4.78 135.00 136.47 2oha s PRO 100 Ca 0.06 1.67 0.11 0.00 0.04 0.00 0.00 61.00 62.88 2oha s PRO 100 Cb -0.21 -1.89 0.89 0.00 0.04 0.00 0.00 34.50 33.33 2oha s PRO 100 CO 0.09 -1.50 1.83 0.82 0.04 0.00 0.00 177.00 178.29 2oha h ILE 101 N 0.12 0.74 -0.94 0.56 1.08 -1.66 0.98 117.51 118.38 2oha h ILE 101 Ca -0.48 -0.21 0.15 0.00 -0.39 0.00 0.00 64.86 63.93 2oha h ILE 101 Cb 1.28 0.07 -0.08 0.00 -3.07 0.00 0.00 36.82 35.02 2oha h ILE 101 CO 0.52 0.11 0.60 0.50 -0.69 0.00 0.00 178.15 179.19 2oha h LYS 102 N 0.62 0.75 0.00 2.37 1.63 -1.90 0.93 116.57 120.96 2oha h LYS 102 Ca 0.50 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.16 2oha h LYS 102 Cb 0.95 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2oha h LYS 102 CO -0.25 0.49 -0.44 1.88 -3.45 0.00 0.00 179.45 177.68 2oha h TYR 103 N 0.77 0.00 -0.00 1.91 -1.99 -1.15 -1.33 116.97 115.18 2oha h TYR 103 Ca 0.48 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 61.07 2oha h TYR 103 Cb 0.71 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 2oha h TYR 103 CO -0.00 0.44 -0.68 -0.07 -0.00 0.00 0.00 178.16 177.85 2oha h LEU 104 N 0.00 0.02 -0.34 3.88 3.38 -0.75 -1.50 115.31 120.01 2oha h LEU 104 Ca -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2oha h LEU 104 Cb 1.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2oha h LEU 104 CO 0.06 0.69 -0.04 -0.33 0.09 0.00 0.00 178.44 178.91 2oha h GLU 105 N 0.01 0.63 -0.86 1.13 5.08 -0.55 -1.69 114.58 118.34 2oha h GLU 105 Ca -0.01 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2oha h GLU 105 Cb 1.20 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 2oha h GLU 105 CO 0.09 0.77 0.56 0.74 -1.00 0.00 0.00 179.01 180.17 2oha h PHE 106 N 0.42 1.06 0.00 4.33 0.04 -0.93 -0.95 116.94 120.92 2oha h PHE 106 Ca 0.09 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 2oha h PHE 106 Cb 0.51 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2oha h PHE 106 CO 0.04 0.65 -0.51 0.97 -0.60 0.00 0.00 178.31 178.87 2oha h ILE 107 N 1.13 1.22 -0.67 -0.55 2.10 -1.17 -1.54 117.51 118.03 2oha h ILE 107 Ca 0.32 -1.82 -0.05 0.00 1.08 0.00 0.00 64.86 64.39 2oha h ILE 107 Cb -0.08 2.02 -0.03 0.00 -1.09 0.00 0.00 36.82 37.64 2oha h ILE 107 CO -0.08 0.50 0.21 0.28 -1.08 0.00 0.00 178.15 177.97 2oha h SER 108 N 0.00 0.98 -0.75 2.19 0.02 -0.69 0.16 113.55 115.45 2oha h SER 108 Ca -0.01 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2oha h SER 108 Cb 0.98 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 2oha h SER 108 CO 0.07 0.93 0.41 -0.08 -1.14 0.00 0.00 176.83 177.01 2oha h GLU 109 N 0.98 1.05 -0.59 3.45 4.81 -0.82 -1.23 114.58 122.23 2oha h GLU 109 Ca 0.22 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2oha h GLU 109 Cb 0.30 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2oha h GLU 109 CO -0.01 0.78 -0.01 0.00 -0.73 0.00 0.00 179.01 179.04 2oha h ALA 110 N 1.21 0.79 -0.36 2.92 0.00 -0.71 -0.13 119.26 122.97 2oha h ALA 110 Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2oha h ALA 110 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2oha h ALA 110 CO -0.04 0.64 0.19 0.82 0.00 0.00 0.00 179.25 180.86 2oha h ILE 111 N 0.94 1.16 -0.65 0.00 2.04 -0.73 -1.44 117.51 118.83 2oha h ILE 111 Ca 0.17 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2oha h ILE 111 Cb 0.57 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2oha h ILE 111 CO 0.03 0.16 0.17 0.40 0.00 0.00 0.00 178.15 178.92 2oha h ILE 112 N 0.46 1.25 -0.33 -0.67 2.04 -1.01 -1.13 117.51 118.12 2oha h ILE 112 Ca 0.13 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2oha h ILE 112 Cb 0.09 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2oha h ILE 112 CO -0.02 0.34 0.19 -0.74 0.00 0.00 0.00 178.15 177.92 2oha h HIS 113 N 0.95 0.45 -0.46 1.37 2.76 -0.74 -0.55 115.15 118.92 2oha h HIS 113 Ca 0.20 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 2oha h HIS 113 Cb 0.34 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 2oha h HIS 113 CO 0.02 0.35 -0.07 0.28 -1.30 0.00 0.00 177.93 177.22 2oha h VAL 114 N 0.41 1.27 -0.65 5.26 2.07 -1.10 -1.20 116.25 122.31 2oha h VAL 114 Ca 0.12 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 2oha h VAL 114 Cb 0.05 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2oha h VAL 114 CO -0.02 0.40 0.09 -0.07 0.02 0.00 0.00 177.57 177.99 2oha h LEU 115 N 0.70 1.04 -1.00 2.57 3.38 -1.11 0.52 115.31 121.41 2oha h LEU 115 Ca 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2oha h LEU 115 Cb 0.60 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2oha h LEU 115 CO 0.04 1.04 0.55 -0.74 0.09 0.00 0.00 178.44 179.42 2oha h HIS 116 N 1.01 1.20 -0.12 1.13 2.76 -0.88 0.16 115.15 120.41 2oha h HIS 116 Ca 0.20 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 2oha h HIS 116 Cb 0.45 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.02 2oha h HIS 116 CO 0.03 0.80 -0.25 0.77 -1.30 0.00 0.00 177.93 177.98 2oha h SER 117 N 1.25 0.43 1.22 3.26 0.02 -0.81 -3.28 113.55 115.64 2oha h SER 117 Ca 0.33 -0.57 -0.11 0.00 -0.84 0.00 0.00 61.79 60.60 2oha h SER 117 Cb -0.05 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2oha h SER 117 CO -0.06 0.91 -0.82 0.03 -1.14 0.00 0.00 176.83 175.75 2oha h ARG 118 N -0.04 0.00 -1.38 3.45 3.08 -0.83 -3.40 114.38 115.26 2oha h ARG 118 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 2oha h ARG 118 Cb 0.85 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.49 2oha h ARG 118 CO 0.06 0.34 -1.00 0.72 -1.07 0.00 0.00 179.97 179.01 2oha n HIS 119 N -3.04 2.02 -0.35 3.04 8.25 0.03 -4.94 115.22 120.23 2oha n HIS 119 Ca -0.02 -3.11 0.13 0.00 -0.26 0.00 0.00 57.72 54.46 2oha n HIS 119 Cb 0.74 -0.29 0.32 0.00 1.12 0.00 0.00 29.99 31.87 2oha n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2oha h PRO 120 N 2.86 0.75 -0.29 -0.41 0.13 -1.72 0.23 132.00 133.55 2oha h PRO 120 Ca 0.07 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 2oha h PRO 120 Cb 1.02 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 2oha h PRO 120 CO 0.64 0.50 -0.17 0.78 -0.23 0.00 0.00 178.00 179.51 2oha h GLY 121 N 0.77 0.55 -2.21 1.56 0.00 -1.92 -2.95 103.07 98.87 2oha h GLY 121 Ca 0.56 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2oha h GLY 121 CO -0.35 0.37 0.00 0.70 0.00 0.00 0.00 176.54 177.26 2oha n ASN 122 N -4.17 3.71 -2.84 0.19 3.02 -0.45 -4.45 115.26 110.27 2oha n ASN 122 Ca 0.00 -2.10 -0.15 0.00 -0.03 0.00 0.00 54.58 52.31 2oha n ASN 122 Cb 0.36 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2oha n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2oha n PHE 123 N 1.11 1.21 -1.19 3.10 7.35 0.69 -4.56 117.46 125.16 2oha n PHE 123 Ca 0.20 -3.25 -0.13 0.00 -0.76 0.00 0.00 57.45 53.51 2oha n PHE 123 Cb 0.60 -0.37 0.10 0.00 0.35 0.00 0.00 39.48 40.16 2oha n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2oha n GLY 124 N 0.01 -1.73 0.15 7.13 0.00 -1.21 -4.59 105.19 104.95 2oha n GLY 124 Ca 0.19 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 2oha n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oha h ALA 125 N -2.05 0.33 -0.69 4.61 0.00 -1.98 0.18 119.26 119.66 2oha h ALA 125 Ca -0.19 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2oha h ALA 125 Cb 0.55 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2oha h ALA 125 CO 0.13 -0.37 0.34 -0.44 0.00 0.00 0.00 179.25 178.91 2oha h ASP 126 N 0.14 0.90 -0.60 0.00 3.32 -1.99 -0.24 116.42 117.95 2oha h ASP 126 Ca 0.16 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 2oha h ASP 126 Cb 0.20 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2oha h ASP 126 CO -0.24 0.77 0.02 0.00 -1.72 0.00 0.00 179.24 178.07 2oha h ALA 127 N 1.16 0.81 -0.64 3.45 0.00 -1.78 -0.91 119.26 121.36 2oha h ALA 127 Ca 0.24 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2oha h ALA 127 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2oha h ALA 127 CO -0.03 0.63 0.06 0.37 0.00 0.00 0.00 179.25 180.28 2oha h GLN 128 N 0.95 1.08 -0.82 0.00 4.15 -0.70 -0.81 115.11 118.95 2oha h GLN 128 Ca 0.17 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 2oha h GLN 128 Cb 0.54 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 2oha h GLN 128 CO 0.03 1.01 0.46 0.78 -1.93 0.00 0.00 178.83 179.18 2oha h GLY 129 N 1.03 1.22 1.04 2.39 0.00 -0.72 0.76 103.07 108.78 2oha h GLY 129 Ca 0.19 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2oha h GLY 129 CO 0.02 0.52 -0.08 0.00 0.00 0.00 0.00 176.54 177.01 2oha h ALA 130 N 1.25 0.67 -0.50 3.60 0.00 -0.79 -0.91 119.26 122.57 2oha h ALA 130 Ca 0.29 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2oha h ALA 130 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2oha h ALA 130 CO -0.05 0.54 0.08 1.98 0.00 0.00 0.00 179.25 181.80 2oha h MET 131 N 0.77 0.83 -0.90 0.00 -1.53 -0.77 -0.39 114.93 112.94 2oha h MET 131 Ca 0.13 -0.22 0.00 0.00 -3.44 0.00 0.00 59.70 56.17 2oha h MET 131 Cb 0.62 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.53 2oha h MET 131 CO 0.04 0.83 0.57 -0.97 0.14 0.00 0.00 176.91 177.52 2oha h ASN 132 N 0.71 1.06 -0.70 1.39 -1.24 -0.72 0.45 115.58 116.52 2oha h ASN 132 Ca 0.15 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 2oha h ASN 132 Cb 0.40 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 2oha h ASN 132 CO 0.01 0.79 0.23 0.50 -1.29 0.00 0.00 177.43 177.68 2oha h LYS 133 N 1.23 1.10 -0.48 6.67 3.64 -0.73 0.23 116.57 128.24 2oha h LYS 133 Ca 0.33 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2oha h LYS 133 Cb -0.10 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 2oha h LYS 133 CO -0.07 0.93 -0.01 0.00 -2.27 0.00 0.00 179.45 178.03 2oha h ALA 134 N 1.19 0.64 -0.16 5.00 0.00 -0.52 -1.57 119.26 123.85 2oha h ALA 134 Ca 0.23 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2oha h ALA 134 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2oha h ALA 134 CO -0.01 0.46 -0.45 -0.07 0.00 0.00 0.00 179.25 179.18 2oha h LEU 135 N 0.70 0.42 -0.77 0.00 3.38 -0.63 -1.69 115.31 116.73 2oha h LEU 135 Ca 0.13 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2oha h LEU 135 Cb 0.53 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2oha h LEU 135 CO 0.03 0.81 -0.15 -0.33 0.09 0.00 0.00 178.44 178.89 2oha h GLU 136 N 0.32 0.77 -0.30 1.13 5.08 -0.36 -0.50 114.58 120.72 2oha h GLU 136 Ca 0.02 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2oha h GLU 136 Cb 0.92 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2oha h GLU 136 CO 0.08 0.88 0.09 1.25 -1.00 0.00 0.00 179.01 180.31 2oha h LEU 137 N 0.69 0.44 -0.39 1.33 5.85 -1.09 0.14 115.31 122.28 2oha h LEU 137 Ca 0.11 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2oha h LEU 137 Cb 0.64 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2oha h LEU 137 CO 0.05 0.53 0.25 -0.25 -0.34 0.00 0.00 178.44 178.68 2oha h TRP 138 N 0.33 0.50 -0.55 1.25 7.01 -1.11 -0.60 115.95 122.77 2oha h TRP 138 Ca 0.10 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 2oha h TRP 138 Cb 0.25 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 2oha h TRP 138 CO 0.01 0.33 0.08 0.00 -2.79 0.00 0.00 178.44 176.07 2oha h ARG 139 N 0.53 0.89 -0.24 2.65 3.08 -0.93 0.13 114.38 120.48 2oha h ARG 139 Ca 0.14 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2oha h ARG 139 Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2oha h ARG 139 CO -0.03 0.83 0.10 -0.22 -1.07 0.00 0.00 179.97 179.59 2oha h LYS 140 N 0.84 0.35 -0.29 0.04 3.64 -0.31 0.15 116.57 120.99 2oha h LYS 140 Ca 0.17 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 2oha h LYS 140 Cb 0.38 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2oha h LYS 140 CO 0.01 0.38 -0.42 -0.44 -2.27 0.00 0.00 179.45 176.71 2oha h ASP 141 N 0.24 0.76 -0.67 4.20 3.32 -0.87 -1.89 116.42 121.51 2oha h ASP 141 Ca 0.08 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 2oha h ASP 141 Cb 0.15 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2oha h ASP 141 CO -0.01 1.08 0.13 0.40 -1.72 0.00 0.00 179.24 179.12 2oha h ILE 142 N 0.58 1.26 -0.83 0.35 1.08 -0.61 -1.20 117.51 118.14 2oha h ILE 142 Ca 0.04 -1.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.48 2oha h ILE 142 Cb 0.96 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 2oha h ILE 142 CO 0.09 0.38 0.41 0.00 -0.69 0.00 0.00 178.15 178.34 2oha h ALA 143 N 1.06 1.07 -0.70 1.87 0.00 -0.48 0.74 119.26 122.81 2oha h ALA 143 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2oha h ALA 143 Cb 0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2oha h ALA 143 CO 0.01 0.62 0.15 0.00 0.00 0.00 0.00 179.25 180.03 2oha h ALA 144 N 1.22 0.92 -0.42 0.00 0.00 -1.05 -1.46 119.26 118.48 2oha h ALA 144 Ca 0.29 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2oha h ALA 144 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2oha h ALA 144 CO -0.04 0.66 -0.31 -0.22 0.00 0.00 0.00 179.25 179.35 2oha h LYS 145 N 1.07 0.93 -0.45 0.00 1.63 -0.81 -1.98 116.57 116.95 2oha h LYS 145 Ca 0.22 -0.44 0.08 0.00 -0.85 0.00 0.00 60.65 59.65 2oha h LYS 145 Cb 0.40 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.95 2oha h LYS 145 CO 0.01 1.10 0.07 1.88 -3.45 0.00 0.00 179.45 179.06 2oha h TYR 146 N 0.78 0.11 -0.68 1.91 -1.99 -0.47 0.46 116.97 117.08 2oha h TYR 146 Ca 0.08 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2oha h TYR 146 Cb 0.89 0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.61 2oha h TYR 146 CO 0.06 -0.02 0.44 -0.22 -0.00 0.00 0.00 178.16 178.42 2oha h LYS 147 N 0.20 0.91 -0.33 4.88 3.64 -1.01 -0.71 116.57 124.15 2oha h LYS 147 Ca 0.22 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2oha h LYS 147 Cb 0.30 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2oha h LYS 147 CO -0.31 0.61 0.07 0.93 -2.27 0.00 0.00 179.45 178.49 2oha h GLU 148 N 0.93 0.48 0.00 1.90 5.08 -0.54 -2.22 114.58 120.20 2oha h GLU 148 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2oha h GLU 148 Cb -0.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2oha h GLU 148 CO -0.05 0.45 -0.02 1.28 -1.00 0.00 0.00 179.01 179.66 2oha n LEU 149 N -4.35 0.13 0.00 1.33 4.77 0.06 -4.92 117.00 114.02 2oha n LEU 149 Ca 0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2oha n LEU 149 Cb 0.18 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2oha n LEU 149 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2oha n GLY 150 N 1.47 0.92 0.56 -0.72 0.00 -0.59 -4.99 105.19 101.84 2oha n GLY 150 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2oha n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2oha n TYR 151 N -2.15 0.00 -2.32 1.61 9.36 -0.37 -4.98 117.16 118.31 2oha n TYR 151 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 2oha n TYR 151 Cb 0.00 -0.35 -0.00 0.00 -0.63 0.00 0.00 39.34 38.35 2oha n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2oha n GLN 152 N -3.85 -2.64 0.00 2.98 -0.06 -1.02 -4.87 117.38 107.93 2oha n GLN 152 Ca -0.15 0.11 0.15 0.00 -2.00 0.00 0.00 57.00 55.11 2oha n GLN 152 Cb 0.44 -4.58 0.64 0.00 -4.06 0.00 0.00 30.24 22.68 2oha n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27