#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mga s VAL 1 N 0.00 -0.33 0.48 3.17 1.01 -1.26 -5.10 120.40 118.36 2mga s VAL 1 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 2mga s VAL 1 Cb 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 2mga s VAL 1 CO 0.00 0.05 0.99 -0.76 0.00 0.00 0.00 175.10 175.38 2mga s LEU 2 N 2.01 3.81 0.65 3.92 1.02 -1.26 -5.07 118.68 123.76 2mga s LEU 2 Ca -0.06 1.74 -0.05 0.00 0.02 0.00 0.00 54.13 55.78 2mga s LEU 2 Cb -0.10 -4.54 0.05 0.00 0.02 0.00 0.00 46.19 41.62 2mga s LEU 2 CO -0.13 -0.59 0.94 -0.94 0.02 0.00 0.00 176.35 175.65 2mga s SER 3 N -2.37 5.06 0.43 2.29 1.04 -1.26 -4.92 113.70 113.97 2mga s SER 3 Ca 0.63 0.40 0.16 0.00 0.48 0.00 0.00 55.95 57.62 2mga s SER 3 Cb -0.12 -1.17 0.96 0.00 0.10 0.00 0.00 66.02 65.79 2mga s SER 3 CO 0.21 -1.39 1.93 -0.08 0.98 0.00 0.00 173.24 174.88 2mga h GLU 4 N -0.37 0.00 -0.18 4.02 4.57 -2.00 -2.76 114.58 117.86 2mga h GLU 4 Ca -0.44 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.67 2mga h GLU 4 Cb 1.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2mga h GLU 4 CO 0.59 0.25 -0.21 0.78 -1.18 0.00 0.00 179.01 179.24 2mga h GLY 5 N 0.88 0.35 1.06 1.92 0.00 -1.99 -0.11 103.07 105.17 2mga h GLY 5 Ca -0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 46.86 2mga h GLY 5 CO 0.03 0.23 -0.83 0.83 0.00 0.00 0.00 176.54 176.81 2mga h GLU 6 N 0.29 0.63 -0.31 4.80 5.08 -1.88 -2.14 114.58 121.05 2mga h GLU 6 Ca 0.05 -0.63 0.01 0.00 -1.00 0.00 0.00 59.36 57.80 2mga h GLU 6 Cb 0.54 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2mga h GLU 6 CO 0.04 1.23 0.18 -1.49 -1.00 0.00 0.00 179.01 177.97 2mga h TRP 7 N 0.27 0.35 -0.33 4.33 4.06 -1.33 -0.34 115.95 122.95 2mga h TRP 7 Ca -0.09 0.01 0.07 0.00 2.06 0.00 0.00 58.89 60.94 2mga h TRP 7 Cb 1.49 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 29.47 2mga h TRP 7 CO 0.11 0.21 -0.11 1.96 -3.56 0.00 0.00 178.44 177.05 2mga h GLN 8 N 0.38 -0.04 -0.57 0.49 4.20 -0.84 0.45 115.11 119.17 2mga h GLN 8 Ca 0.12 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.87 2mga h GLN 8 Cb -0.01 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2mga h GLN 8 CO -0.05 -0.03 0.32 -0.07 -0.67 0.00 0.00 178.83 178.33 2mga h LEU 9 N -0.04 0.50 0.38 1.46 3.38 -0.82 -0.62 115.31 119.55 2mga h LEU 9 Ca 0.17 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2mga h LEU 9 Cb 0.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2mga h LEU 9 CO -0.37 0.34 -0.18 0.58 0.09 0.00 0.00 178.44 178.90 2mga h VAL 10 N 0.62 0.63 0.00 1.22 2.07 -0.36 -2.55 116.25 117.88 2mga h VAL 10 Ca 0.24 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2mga h VAL 10 Cb 0.09 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2mga h VAL 10 CO -0.13 0.04 -0.15 -0.07 0.02 0.00 0.00 177.57 177.27 2mga h LEU 11 N -0.62 0.00 -0.07 2.57 3.38 0.09 -0.01 115.31 120.65 2mga h LEU 11 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2mga h LEU 11 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2mga h LEU 11 CO 0.09 0.15 -0.08 -0.74 0.09 0.00 0.00 178.44 177.95 2mga h HIS 12 N 0.00 0.21 -0.29 1.13 2.76 -1.06 -1.05 115.15 116.85 2mga h HIS 12 Ca -0.00 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 2mga h HIS 12 Cb 0.40 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2mga h HIS 12 CO 0.00 0.64 -0.09 0.28 -1.30 0.00 0.00 177.93 177.46 2mga h VAL 13 N -0.28 1.29 -0.99 5.26 2.07 -1.01 -2.54 116.25 120.05 2mga h VAL 13 Ca 0.01 -1.14 0.23 0.00 0.82 0.00 0.00 66.70 66.63 2mga h VAL 13 Cb 0.61 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.73 2mga h VAL 13 CO 0.02 0.36 0.64 -0.25 0.02 0.00 0.00 177.57 178.36 2mga h TRP 14 N 0.32 0.67 -0.43 1.57 2.91 -0.92 0.06 115.95 120.13 2mga h TRP 14 Ca 0.07 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 2mga h TRP 14 Cb 0.58 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 29.01 2mga h TRP 14 CO 0.05 0.12 0.12 0.00 -1.03 0.00 0.00 178.44 177.70 2mga h ALA 15 N 1.62 1.42 -0.08 2.65 0.00 -0.74 -2.07 119.26 122.04 2mga h ALA 15 Ca 0.55 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2mga h ALA 15 Cb 1.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2mga h ALA 15 CO -0.26 0.43 -0.16 0.87 0.00 0.00 0.00 179.25 180.13 2mga h LYS 16 N 0.61 0.26 -0.85 0.00 1.79 -1.00 -3.14 116.57 114.24 2mga h LYS 16 Ca 0.14 -0.16 0.19 0.00 -2.18 0.00 0.00 60.65 58.64 2mga h LYS 16 Cb 0.21 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.76 2mga h LYS 16 CO -0.01 0.75 0.35 0.28 -1.08 0.00 0.00 179.45 179.75 2mga h VAL 17 N -0.21 0.55 0.00 0.50 2.07 -1.05 -1.88 116.25 116.23 2mga h VAL 17 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2mga h VAL 17 Cb 0.74 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2mga h VAL 17 CO 0.04 0.08 0.00 -0.33 0.02 0.00 0.00 177.57 177.37 2mga h GLU 18 N 0.42 0.00 0.00 1.57 5.08 -1.34 -1.91 114.58 118.40 2mga h GLU 18 Ca 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 2mga h GLU 18 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2mga h GLU 18 CO -0.48 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 177.48 2mga h ALA 19 N 2.07 1.23 -1.21 3.43 0.00 -1.30 -3.36 119.26 120.12 2mga h ALA 19 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2mga h ALA 19 Cb 0.10 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.67 2mga h ALA 19 CO 0.00 0.06 -0.61 -3.47 0.00 0.00 0.00 179.25 175.23 2mga n ASP 20 N -3.47 -2.69 0.03 0.00 2.03 -0.73 -5.03 116.55 106.68 2mga n ASP 20 Ca -0.02 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.33 2mga n ASP 20 Cb 0.16 1.22 -0.07 0.00 -0.72 0.00 0.00 41.12 41.71 2mga n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2mga h VAL 21 N 4.63 1.05 -0.06 5.18 2.07 -1.70 -2.57 116.25 124.84 2mga h VAL 21 Ca 0.08 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2mga h VAL 21 Cb 1.05 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 2mga h VAL 21 CO 0.13 0.04 -0.34 0.00 0.02 0.00 0.00 177.57 177.42 2mga h ALA 22 N 0.95 -0.46 -0.65 1.67 0.00 -1.90 0.28 119.26 119.15 2mga h ALA 22 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2mga h ALA 22 Cb 0.05 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2mga h ALA 22 CO -0.00 -0.84 0.35 0.78 0.00 0.00 0.00 179.25 179.53 2mga h GLY 23 N -0.46 0.98 1.06 0.00 0.00 -1.94 0.35 103.07 103.06 2mga h GLY 23 Ca 0.07 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2mga h GLY 23 CO -0.31 0.43 0.21 0.45 0.00 0.00 0.00 176.54 177.32 2mga h HIS 24 N 0.89 1.21 -0.20 5.60 3.86 -1.05 -2.05 115.15 123.39 2mga h HIS 24 Ca 0.23 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 2mga h HIS 24 Cb 0.06 -0.35 -0.07 0.00 1.06 0.00 0.00 27.41 28.11 2mga h HIS 24 CO -0.00 0.96 -0.31 0.78 0.86 0.00 0.00 177.93 180.21 2mga h GLY 25 N 1.10 -0.37 0.70 2.45 0.00 0.20 -1.47 103.07 105.68 2mga h GLY 25 Ca 0.23 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.98 2mga h GLY 25 CO -0.00 -0.21 -0.03 1.46 0.00 0.00 0.00 176.54 177.76 2mga h GLN 26 N -0.35 0.02 -0.78 4.80 4.20 -0.87 -2.12 115.11 120.01 2mga h GLN 26 Ca 0.12 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.90 2mga h GLN 26 Cb 0.53 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 2mga h GLN 26 CO -0.40 0.01 0.45 -0.44 -0.67 0.00 0.00 178.83 177.78 2mga h ASP 27 N 0.02 0.67 0.92 1.46 3.32 -0.82 0.10 116.42 122.09 2mga h ASP 27 Ca 0.08 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2mga h ASP 27 Cb 0.11 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.57 2mga h ASP 27 CO -0.16 0.41 -0.44 0.40 -1.72 0.00 0.00 179.24 177.73 2mga h ILE 28 N 0.80 0.00 -0.81 0.35 2.04 -1.21 0.74 117.51 119.42 2mga h ILE 28 Ca 0.36 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.18 2mga h ILE 28 Cb 0.26 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 2mga h ILE 28 CO -0.21 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.40 2mga h LEU 29 N -1.31 0.86 -0.89 1.44 3.38 -1.29 0.69 115.31 118.19 2mga h LEU 29 Ca -0.13 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2mga h LEU 29 Cb 0.95 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2mga h LEU 29 CO 0.21 0.59 -0.14 0.40 0.09 0.00 0.00 178.44 179.59 2mga h ILE 30 N 1.00 1.25 0.01 1.22 2.04 -0.96 -0.84 117.51 121.23 2mga h ILE 30 Ca 0.32 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2mga h ILE 30 Cb 0.03 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2mga h ILE 30 CO -0.09 0.39 -0.00 -0.09 0.00 0.00 0.00 178.15 178.35 2mga h ARG 31 N 0.60 -0.01 -0.12 2.37 9.65 0.10 -1.41 114.38 125.56 2mga h ARG 31 Ca 0.10 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 2mga h ARG 31 Cb 0.59 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.11 2mga h ARG 31 CO 0.04 0.19 -0.52 1.25 2.80 0.00 0.00 179.97 183.73 2mga h LEU 32 N -0.21 -1.65 -1.49 3.80 5.85 -0.71 -0.45 115.31 120.45 2mga h LEU 32 Ca -0.00 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2mga h LEU 32 Cb 0.21 0.64 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2mga h LEU 32 CO 0.00 -0.47 0.44 -0.26 -0.34 0.00 0.00 178.44 177.82 2mga h PHE 33 N -0.56 0.62 0.07 1.25 0.04 -1.14 0.21 116.94 117.43 2mga h PHE 33 Ca 0.03 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.61 2mga h PHE 33 Cb 0.65 -0.20 0.02 0.00 2.20 0.00 0.00 35.95 38.62 2mga h PHE 33 CO -0.58 0.31 -0.83 0.87 -0.60 0.00 0.00 178.31 177.49 2mga h LYS 34 N 0.60 0.43 -0.13 1.51 1.57 -0.74 -2.83 116.57 116.98 2mga h LYS 34 Ca 0.30 -0.56 -0.16 0.00 -1.87 0.00 0.00 60.65 58.35 2mga h LYS 34 Cb 0.39 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2mga h LYS 34 CO -0.10 1.22 -0.61 0.77 -0.57 0.00 0.00 179.45 180.17 2mga h SER 35 N -0.09 0.50 -2.08 0.86 0.02 -0.69 -3.36 113.55 108.71 2mga h SER 35 Ca -0.13 -0.29 -0.58 0.00 -0.84 0.00 0.00 61.79 59.96 2mga h SER 35 Cb 1.57 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 63.56 2mga h SER 35 CO 0.16 0.99 -0.91 1.41 -1.14 0.00 0.00 176.83 177.33 2mga n HIS 36 N -3.91 1.14 -0.41 3.45 8.25 0.72 -5.00 115.22 119.45 2mga n HIS 36 Ca -0.03 -3.78 0.36 0.00 -0.26 0.00 0.00 57.72 54.01 2mga n HIS 36 Cb 0.63 -0.43 0.70 0.00 1.12 0.00 0.00 29.99 32.02 2mga n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2mga h PRO 37 N 4.08 0.09 0.00 -0.41 0.11 -1.66 -0.36 132.00 133.84 2mga h PRO 37 Ca 0.12 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2mga h PRO 37 Cb 0.80 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2mga h PRO 37 CO 0.60 0.06 -0.08 1.05 -0.21 0.00 0.00 178.00 179.41 2mga h GLU 38 N 0.09 0.00 -0.14 1.05 9.09 -1.93 -2.49 114.58 120.25 2mga h GLU 38 Ca 0.68 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.99 2mga h GLU 38 Cb 2.44 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.53 2mga h GLU 38 CO -0.13 0.08 -0.35 1.79 0.05 0.00 0.00 179.01 180.46 2mga h THR 39 N 0.00 1.28 -0.39 -1.06 1.35 -1.41 -3.10 112.91 109.58 2mga h THR 39 Ca -0.00 -1.38 0.06 0.00 -0.55 0.00 0.00 66.41 64.53 2mga h THR 39 Cb 0.23 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2mga h THR 39 CO 0.01 0.42 0.26 0.25 -0.25 0.00 0.00 175.52 176.21 2mga h LEU 40 N 0.25 0.24 -1.97 3.87 5.85 -1.62 -1.12 115.31 120.81 2mga h LEU 40 Ca 0.03 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2mga h LEU 40 Cb 0.74 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2mga h LEU 40 CO 0.06 0.16 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.91 2mga h GLU 41 N 0.28 0.00 0.00 1.25 5.08 -1.68 0.57 114.58 120.09 2mga h GLU 41 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2mga h GLU 41 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2mga h GLU 41 CO -0.04 0.08 -0.11 0.87 -1.00 0.00 0.00 179.01 178.82 2mga h LYS 42 N 0.00 0.00 -4.16 2.33 1.79 -1.35 -3.39 116.57 111.78 2mga h LYS 42 Ca -0.00 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 57.71 2mga h LYS 42 Cb 0.16 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 30.57 2mga h LYS 42 CO 0.01 0.11 0.26 -0.06 -1.08 0.00 0.00 179.45 178.69 2mga s PHE 43 N -3.98 3.56 0.53 -1.35 0.40 0.19 -4.88 117.98 112.46 2mga s PHE 43 Ca -0.02 -1.78 0.32 0.00 -0.60 0.00 0.00 56.93 54.85 2mga s PHE 43 Cb 0.12 -3.94 1.48 0.00 0.51 0.00 0.00 43.02 41.19 2mga s PHE 43 CO 0.57 -1.12 1.87 -0.44 0.70 0.00 0.00 175.22 176.79 2mga h ASP 44 N 8.13 0.02 0.21 1.36 5.19 -1.81 1.10 116.42 130.62 2mga h ASP 44 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2mga h ASP 44 Cb 1.04 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2mga h ASP 44 CO 0.86 0.01 -0.15 -2.11 -3.12 0.00 0.00 179.24 174.72 2mga n ARG 45 N -4.26 0.98 0.00 3.56 1.85 -1.26 -4.34 116.66 113.19 2mga n ARG 45 Ca 0.20 -0.51 0.00 0.00 -1.00 0.00 0.00 57.85 56.54 2mga n ARG 45 Cb 1.02 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.95 2mga n ARG 45 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2mga n PHE 46 N -0.56 0.00 -0.56 2.89 3.72 0.36 -4.82 117.46 118.50 2mga n PHE 46 Ca 0.15 0.00 0.45 0.00 -0.05 0.00 0.00 57.45 58.00 2mga n PHE 46 Cb 0.32 0.00 0.73 0.00 -0.94 0.00 0.00 39.48 39.60 2mga n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2mga n LYS 47 N -1.01 -0.02 0.00 -1.08 5.02 -0.21 -1.71 118.16 119.14 2mga n LYS 47 Ca 0.00 1.21 0.16 0.00 -2.02 0.00 0.00 58.31 57.65 2mga n LYS 47 Cb 0.04 -2.50 0.88 0.00 -0.02 0.00 0.00 35.03 33.43 2mga n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2mga n HIS 48 N -4.47 0.00 -2.62 2.13 1.44 -1.26 -4.75 115.22 105.68 2mga n HIS 48 Ca 0.42 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.70 2mga n HIS 48 Cb 1.74 -0.10 -0.02 0.00 0.12 0.00 0.00 29.99 31.72 2mga n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2mga s LEU 49 N -2.20 4.12 -0.05 2.39 1.43 -0.70 -4.95 118.68 118.73 2mga s LEU 49 Ca 0.41 1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 2mga s LEU 49 Cb 0.21 -3.54 -0.27 0.00 0.03 0.00 0.00 46.19 42.62 2mga s LEU 49 CO 0.40 -0.67 0.64 0.11 0.23 0.00 0.00 176.35 177.06 2mga h LYS 50 N 7.55 0.25 -5.23 1.70 1.57 -1.90 -3.48 116.57 117.03 2mga h LYS 50 Ca -0.21 -0.43 -0.40 0.00 -1.87 0.00 0.00 60.65 57.74 2mga h LYS 50 Cb 1.07 0.16 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 2mga h LYS 50 CO 0.97 1.10 -0.69 0.95 -0.57 0.00 0.00 179.45 181.22 2mga s THR 51 N -2.59 1.29 0.37 -0.16 -4.23 -1.26 -5.02 115.64 104.04 2mga s THR 51 Ca -0.14 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 58.34 2mga s THR 51 Cb 0.07 -2.19 0.28 0.00 1.34 0.00 0.00 72.50 71.99 2mga s THR 51 CO 0.82 -0.47 2.00 -0.08 -0.54 0.00 0.00 174.62 176.35 2mga h GLU 52 N 2.53 0.70 -0.78 3.99 4.81 -1.98 -0.44 114.58 123.40 2mga h GLU 52 Ca -0.38 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2mga h GLU 52 Cb 1.22 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2mga h GLU 52 CO 0.64 0.46 0.45 0.00 -0.73 0.00 0.00 179.01 179.83 2mga h ALA 53 N 1.64 1.00 -0.20 2.92 0.00 -1.98 0.65 119.26 123.29 2mga h ALA 53 Ca 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2mga h ALA 53 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2mga h ALA 53 CO -0.07 0.48 -0.02 0.93 0.00 0.00 0.00 179.25 180.57 2mga h GLU 54 N 1.07 0.37 -0.35 0.00 5.08 -1.82 -1.69 114.58 117.25 2mga h GLU 54 Ca 0.28 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2mga h GLU 54 Cb -0.01 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2mga h GLU 54 CO -0.05 0.59 -0.07 0.52 -1.00 0.00 0.00 179.01 179.00 2mga h MET 55 N 0.11 0.01 -0.17 2.33 2.86 -0.62 -0.74 114.93 118.73 2mga h MET 55 Ca 0.05 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2mga h MET 55 Cb 0.44 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2mga h MET 55 CO 0.01 0.01 0.12 0.87 1.06 0.00 0.00 176.91 178.99 2mga h LYS 56 N 0.01 0.00 0.00 1.72 6.56 0.81 -2.41 116.57 123.26 2mga h LYS 56 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 2mga h LYS 56 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 2mga h LYS 56 CO -0.35 0.00 -1.17 0.00 -2.06 0.00 0.00 179.45 175.87 2mga n ALA 57 N -2.55 3.65 -2.01 3.86 0.00 -0.39 -4.91 120.51 118.16 2mga n ALA 57 Ca 0.01 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 2mga n ALA 57 Cb 0.25 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 2mga n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2mga s SER 58 N -3.77 6.67 0.31 0.00 0.15 -0.54 -4.89 113.70 111.63 2mga s SER 58 Ca 0.03 2.24 0.17 0.00 0.70 0.00 0.00 55.95 59.09 2mga s SER 58 Cb 0.15 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 62.10 2mga s SER 58 CO 0.83 -0.92 1.50 -0.08 1.20 0.00 0.00 173.24 175.77 2mga h GLU 59 N 9.51 0.00 -0.02 5.44 4.57 -1.91 -2.96 114.58 129.21 2mga h GLU 59 Ca -0.39 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.62 2mga h GLU 59 Cb 1.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2mga h GLU 59 CO 0.95 0.41 -0.74 -0.44 -1.18 0.00 0.00 179.01 178.01 2mga h ASP 60 N 0.00 0.19 -0.18 1.04 3.32 -1.96 -2.30 116.42 116.53 2mga h ASP 60 Ca -0.00 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 2mga h ASP 60 Cb 1.28 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2mga h ASP 60 CO 0.05 0.86 -0.39 0.25 -1.72 0.00 0.00 179.24 178.30 2mga h LEU 61 N 0.10 0.65 -0.60 1.55 6.46 -1.88 -1.38 115.31 120.21 2mga h LEU 61 Ca -0.02 -0.56 0.03 0.00 -0.12 0.00 0.00 57.88 57.21 2mga h LEU 61 Cb 1.30 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.00 2mga h LEU 61 CO 0.11 1.09 0.36 0.50 -0.62 0.00 0.00 178.44 179.87 2mga h LYS 62 N 0.24 0.67 -0.72 1.25 3.64 -1.49 0.10 116.57 120.25 2mga h LYS 62 Ca 0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2mga h LYS 62 Cb 0.99 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2mga h LYS 62 CO 0.09 0.44 0.25 0.87 -2.27 0.00 0.00 179.45 178.83 2mga h LYS 63 N 0.69 1.10 -0.42 1.90 1.57 -1.45 -1.99 116.57 117.96 2mga h LYS 63 Ca 0.25 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2mga h LYS 63 Cb 0.06 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2mga h LYS 63 CO -0.12 0.92 0.21 0.78 -0.57 0.00 0.00 179.45 180.66 2mga h GLY 64 N 1.11 0.58 1.07 3.86 0.00 -0.10 -2.39 103.07 107.21 2mga h GLY 64 Ca 0.24 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 2mga h GLY 64 CO -0.01 0.10 0.06 -1.33 0.00 0.00 0.00 176.54 175.36 2mga h GLY 65 N 0.42 1.18 0.99 4.60 0.00 -0.33 -2.48 103.07 107.44 2mga h GLY 65 Ca 0.18 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2mga h GLY 65 CO -0.13 0.76 0.28 -2.08 0.00 0.00 0.00 176.54 175.37 2mga h VAL 66 N 1.00 1.22 -0.09 4.60 2.07 -1.25 -1.30 116.25 122.50 2mga h VAL 66 Ca 0.19 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2mga h VAL 66 Cb 0.50 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2mga h VAL 66 CO 0.02 0.25 0.05 0.74 0.02 0.00 0.00 177.57 178.65 2mga h THR 67 N 0.83 1.01 -0.01 2.57 2.02 -1.36 0.16 112.91 118.13 2mga h THR 67 Ca 0.21 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.36 2mga h THR 67 Cb 0.13 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2mga h THR 67 CO -0.02 0.02 -0.06 0.58 0.37 0.00 0.00 175.52 176.40 2mga h VAL 68 N 0.10 0.83 -0.16 3.16 2.07 -1.42 -1.39 116.25 119.44 2mga h VAL 68 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2mga h VAL 68 Cb -0.00 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2mga h VAL 68 CO -0.02 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.54 2mga h LEU 69 N -0.11 0.25 -0.87 2.57 3.38 -1.17 0.28 115.31 119.64 2mga h LEU 69 Ca 0.03 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2mga h LEU 69 Cb 0.14 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2mga h LEU 69 CO -0.07 0.42 0.56 0.74 0.09 0.00 0.00 178.44 180.17 2mga h THR 70 N 0.07 1.11 -0.21 0.22 2.02 -0.70 0.30 112.91 115.71 2mga h THR 70 Ca 0.05 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2mga h THR 70 Cb 0.27 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2mga h THR 70 CO 0.00 0.19 0.10 0.00 0.37 0.00 0.00 175.52 176.18 2mga h ALA 71 N 1.38 0.27 0.00 6.16 0.00 -1.12 -2.41 119.26 123.54 2mga h ALA 71 Ca 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2mga h ALA 71 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2mga h ALA 71 CO -0.14 -0.16 -0.00 1.25 0.00 0.00 0.00 179.25 180.20 2mga h LEU 72 N 0.21 -0.00 -0.74 0.00 5.85 -0.82 -2.41 115.31 117.39 2mga h LEU 72 Ca 0.07 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 58.75 2mga h LEU 72 Cb 0.13 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.06 2mga h LEU 72 CO -0.01 0.19 0.23 1.23 -0.34 0.00 0.00 178.44 179.75 2mga h GLY 73 N -0.19 1.07 1.83 3.75 0.00 -0.45 0.06 103.07 109.14 2mga h GLY 73 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2mga h GLY 73 CO 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 176.54 176.28 2mga h ALA 74 N 1.58 1.56 -0.18 3.60 0.00 -1.19 -1.99 119.26 122.63 2mga h ALA 74 Ca 0.41 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2mga h ALA 74 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2mga h ALA 74 CO -0.46 0.32 -0.39 0.82 0.00 0.00 0.00 179.25 179.54 2mga h ILE 75 N 0.21 1.34 -0.43 0.00 2.04 -0.84 -3.27 117.51 116.55 2mga h ILE 75 Ca 0.04 -1.64 -0.11 0.00 1.00 0.00 0.00 64.86 64.15 2mga h ILE 75 Cb 0.33 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2mga h ILE 75 CO 0.02 0.50 -0.16 -0.07 0.00 0.00 0.00 178.15 178.45 2mga h LEU 76 N 0.23 0.89 -2.21 1.44 3.38 -0.51 -2.77 115.31 115.76 2mga h LEU 76 Ca 0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2mga h LEU 76 Cb 1.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2mga h LEU 76 CO 0.09 1.07 0.03 0.11 0.09 0.00 0.00 178.44 179.82 2mga h LYS 77 N 0.70 0.00 0.00 1.13 1.57 -1.45 -0.38 116.57 118.14 2mga h LYS 77 Ca 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2mga h LYS 77 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2mga h LYS 77 CO 0.05 0.00 -0.11 0.87 -0.57 0.00 0.00 179.45 179.69 2mga h LYS 78 N 0.00 0.00 -6.06 3.15 1.79 -1.53 -3.48 116.57 110.43 2mga h LYS 78 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 2mga h LYS 78 Cb 0.05 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.76 2mga h LYS 78 CO 0.00 0.11 -0.72 1.63 -1.08 0.00 0.00 179.45 179.40 2mga n LYS 79 N -3.19 -6.83 0.00 3.15 5.02 -0.15 -1.75 118.16 114.41 2mga n LYS 79 Ca 0.02 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2mga n LYS 79 Cb 0.45 -5.70 0.00 0.00 -0.02 0.00 0.00 35.03 29.76 2mga n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mga n GLY 80 N -1.86 2.81 2.77 0.72 0.00 -1.26 -4.98 105.19 103.39 2mga n GLY 80 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2mga n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mga n HIS 81 N -1.28 2.60 -1.09 1.61 8.25 -0.72 -4.65 115.22 119.94 2mga n HIS 81 Ca 0.00 -2.67 0.09 0.00 -0.26 0.00 0.00 57.72 54.88 2mga n HIS 81 Cb 0.00 -1.54 0.13 0.00 1.12 0.00 0.00 29.99 29.71 2mga n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mga n HIS 82 N 1.72 0.00 -0.29 4.41 1.44 -1.26 -4.82 115.22 116.41 2mga n HIS 82 Ca 0.42 -0.95 -0.12 0.00 -2.01 0.00 0.00 57.72 55.06 2mga n HIS 82 Cb 0.30 -0.14 -0.10 0.00 0.12 0.00 0.00 29.99 30.17 2mga n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2mga h GLU 83 N 0.00 -0.17 -0.53 -1.40 3.07 -2.00 -2.70 114.58 110.86 2mga h GLU 83 Ca 0.00 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.97 2mga h GLU 83 Cb 1.01 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 28.88 2mga h GLU 83 CO 0.00 -0.11 0.07 0.00 -1.40 0.00 0.00 179.01 177.57 2mga h ALA 84 N 0.24 0.57 -0.18 3.43 0.00 -2.01 -2.70 119.26 118.61 2mga h ALA 84 Ca 0.12 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2mga h ALA 84 Cb 0.48 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2mga h ALA 84 CO -0.78 -0.34 -0.32 0.93 0.00 0.00 0.00 179.25 178.75 2mga h GLU 85 N 0.20 0.36 -0.07 0.00 3.07 -1.87 -3.27 114.58 113.00 2mga h GLU 85 Ca 0.27 -0.15 -0.20 0.00 -0.50 0.00 0.00 59.36 58.78 2mga h GLU 85 Cb 0.39 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2mga h GLU 85 CO -0.38 0.65 -0.79 -0.07 -1.40 0.00 0.00 179.01 177.02 2mga h LEU 86 N 0.32 0.55 0.16 1.33 4.07 -1.27 -3.34 115.31 117.13 2mga h LEU 86 Ca 0.04 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 2mga h LEU 86 Cb 0.72 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 2mga h LEU 86 CO 0.06 1.14 -0.26 0.11 -1.08 0.00 0.00 178.44 178.41 2mga h LYS 87 N 0.30 -0.43 -0.68 1.13 1.57 -1.54 0.23 116.57 117.15 2mga h LYS 87 Ca -0.05 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2mga h LYS 87 Cb 1.38 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.75 2mga h LYS 87 CO 0.14 -0.29 0.45 -1.00 -0.57 0.00 0.00 179.45 178.18 2mga h PRO 88 N -0.45 0.77 -0.42 3.15 0.13 -1.76 -1.33 132.00 132.10 2mga h PRO 88 Ca -0.02 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 2mga h PRO 88 Cb 0.42 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2mga h PRO 88 CO -0.09 0.51 -0.07 1.25 -0.23 0.00 0.00 178.00 179.38 2mga h LEU 89 N 0.80 0.79 -0.70 1.56 7.12 -1.61 -1.77 115.31 121.49 2mga h LEU 89 Ca 0.28 -0.35 -0.12 0.00 0.13 0.00 0.00 57.88 57.82 2mga h LEU 89 Cb 0.11 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.01 2mga h LEU 89 CO -0.08 0.95 -0.29 0.00 -0.13 0.00 0.00 178.44 178.89 2mga h ALA 90 N 0.86 0.88 -0.00 1.25 0.00 -0.27 -2.59 119.26 119.39 2mga h ALA 90 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2mga h ALA 90 Cb 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2mga h ALA 90 CO 0.04 0.63 0.00 0.37 0.00 0.00 0.00 179.25 180.28 2mga h GLN 91 N 0.58 0.00 -0.41 0.00 4.15 -1.20 0.13 115.11 118.36 2mga h GLN 91 Ca 0.07 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 2mga h GLN 91 Cb 0.79 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2mga h GLN 91 CO 0.07 0.26 -0.20 0.66 -1.93 0.00 0.00 178.83 177.68 2mga h SER 92 N -0.25 0.82 -0.08 -0.69 4.64 -1.32 -1.43 113.55 115.24 2mga h SER 92 Ca 0.00 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 2mga h SER 92 Cb 0.26 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2mga h SER 92 CO 0.00 1.01 -0.34 0.45 -0.87 0.00 0.00 176.83 177.08 2mga h HIS 93 N 0.71 0.66 0.17 4.77 3.86 -1.35 0.47 115.15 124.46 2mga h HIS 93 Ca 0.10 -0.17 -0.34 0.00 -1.16 0.00 0.00 60.37 58.80 2mga h HIS 93 Cb 0.72 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 29.05 2mga h HIS 93 CO 0.04 0.83 -1.67 0.00 0.86 0.00 0.00 177.93 177.99 2mga h ALA 94 N 1.15 0.16 0.00 2.45 0.00 -0.73 0.29 119.26 122.57 2mga h ALA 94 Ca 0.05 -1.11 -0.34 0.00 0.00 0.00 0.00 54.91 53.52 2mga h ALA 94 Cb 0.81 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2mga h ALA 94 CO 0.07 1.03 -2.28 -2.37 0.00 0.00 0.00 179.25 175.69 2mga n THR 95 N -3.56 1.26 -0.03 0.00 5.66 -0.54 -4.04 114.28 113.02 2mga n THR 95 Ca -0.22 -0.79 -0.02 0.00 -3.05 0.00 0.00 64.05 59.97 2mga n THR 95 Cb 1.07 -0.49 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 2mga n THR 95 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2mga n LYS 96 N -2.69 0.18 0.07 1.09 3.00 0.13 -4.67 118.16 115.28 2mga n LYS 96 Ca -0.30 0.29 -0.11 0.00 -0.00 0.00 0.00 58.31 58.19 2mga n LYS 96 Cb 1.10 -1.05 -0.02 0.00 0.00 0.00 0.00 35.03 35.06 2mga n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2mga h HIS 97 N -0.39 0.47 -5.38 5.64 -0.00 -0.69 -3.49 115.15 111.31 2mga h HIS 97 Ca 0.00 -0.25 -0.07 0.00 -0.00 0.00 0.00 60.37 60.05 2mga h HIS 97 Cb 0.25 -0.06 0.05 0.00 -0.00 0.00 0.00 27.41 27.65 2mga h HIS 97 CO -0.11 1.06 -0.23 1.63 -0.00 0.00 0.00 177.93 180.28 2mga n LYS 98 N -3.72 -1.56 -3.50 2.45 4.01 0.71 -5.00 118.16 111.55 2mga n LYS 98 Ca -0.05 1.33 -0.42 0.00 -0.51 0.00 0.00 58.31 58.65 2mga n LYS 98 Cb 0.81 -5.76 -0.10 0.00 -0.51 0.00 0.00 35.03 29.46 2mga n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2mga s ILE 99 N -3.10 4.98 0.54 -0.18 -1.09 0.49 -5.02 121.20 117.82 2mga s ILE 99 Ca 0.12 -0.86 -0.20 0.00 -2.23 0.00 0.00 60.65 57.48 2mga s ILE 99 Cb -0.02 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2mga s ILE 99 CO 0.74 -0.36 1.18 -2.16 -1.23 0.00 0.00 174.94 173.12 2mga s PRO 100 N 1.62 3.31 0.32 2.79 0.04 -1.26 -4.76 135.00 137.05 2mga s PRO 100 Ca 0.04 1.77 0.09 0.00 0.04 0.00 0.00 61.00 62.94 2mga s PRO 100 Cb -0.20 -2.09 0.89 0.00 0.04 0.00 0.00 34.50 33.13 2mga s PRO 100 CO 0.08 -0.92 1.72 0.82 0.04 0.00 0.00 177.00 178.74 2mga h ILE 101 N 1.27 0.52 -1.00 0.56 1.08 -1.98 0.14 117.51 118.11 2mga h ILE 101 Ca -0.50 -0.19 0.18 0.00 -0.39 0.00 0.00 64.86 63.96 2mga h ILE 101 Cb 1.27 -0.09 -0.10 0.00 -3.07 0.00 0.00 36.82 34.83 2mga h ILE 101 CO 0.57 0.10 0.62 0.50 -0.69 0.00 0.00 178.15 179.25 2mga h LYS 102 N 0.56 0.74 0.00 2.37 1.63 -2.00 0.35 116.57 120.22 2mga h LYS 102 Ca 0.64 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.33 2mga h LYS 102 Cb 1.23 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2mga h LYS 102 CO -0.48 0.49 -0.35 1.88 -3.45 0.00 0.00 179.45 177.53 2mga h TYR 103 N 0.76 0.00 -0.33 1.91 -1.99 -1.07 -1.95 116.97 114.30 2mga h TYR 103 Ca 0.56 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.18 2mga h TYR 103 Cb 0.88 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.60 2mga h TYR 103 CO -0.00 0.35 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.19 2mga h LEU 104 N 0.00 0.66 -0.44 3.88 3.38 -0.32 -2.14 115.31 120.32 2mga h LEU 104 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2mga h LEU 104 Cb 0.83 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2mga h LEU 104 CO 0.05 0.89 0.14 -0.33 0.09 0.00 0.00 178.44 179.28 2mga h GLU 105 N 0.57 0.69 0.13 1.13 5.08 -0.85 -1.62 114.58 119.71 2mga h GLU 105 Ca 0.08 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2mga h GLU 105 Cb 0.73 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2mga h GLU 105 CO 0.06 0.67 -0.18 0.74 -1.00 0.00 0.00 179.01 179.30 2mga h PHE 106 N 0.58 -0.47 -0.30 4.33 0.04 -1.14 -1.62 116.94 118.36 2mga h PHE 106 Ca 0.14 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 2mga h PHE 106 Cb 0.27 0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 2mga h PHE 106 CO 0.01 -0.27 0.06 0.97 -0.60 0.00 0.00 178.31 178.48 2mga h ILE 107 N -0.36 1.15 -0.78 -0.55 2.10 -1.31 -1.78 117.51 115.98 2mga h ILE 107 Ca 0.02 -0.55 -0.01 0.00 1.08 0.00 0.00 64.86 65.39 2mga h ILE 107 Cb 0.36 0.87 -0.04 0.00 -1.09 0.00 0.00 36.82 36.93 2mga h ILE 107 CO -0.08 0.19 0.44 0.28 -1.08 0.00 0.00 178.15 177.90 2mga h SER 108 N 0.43 0.96 -0.33 2.19 0.02 -0.38 0.70 113.55 117.13 2mga h SER 108 Ca 0.10 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2mga h SER 108 Cb 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2mga h SER 108 CO -0.00 0.77 0.19 -0.08 -1.14 0.00 0.00 176.83 176.57 2mga h GLU 109 N 1.09 0.46 -0.19 3.45 4.81 -1.10 -1.37 114.58 121.73 2mga h GLU 109 Ca 0.28 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 2mga h GLU 109 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2mga h GLU 109 CO -0.05 0.36 -0.55 0.00 -0.73 0.00 0.00 179.01 178.05 2mga h ALA 110 N 1.07 0.69 -0.30 2.92 0.00 -0.69 -0.71 119.26 122.25 2mga h ALA 110 Ca 0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2mga h ALA 110 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2mga h ALA 110 CO -0.02 0.69 0.18 0.82 0.00 0.00 0.00 179.25 180.92 2mga h ILE 111 N 0.44 1.11 -0.72 0.00 2.04 -0.55 -0.94 117.51 118.89 2mga h ILE 111 Ca 0.01 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 2mga h ILE 111 Cb 1.09 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2mga h ILE 111 CO 0.10 0.11 0.24 0.40 0.00 0.00 0.00 178.15 179.00 2mga h ILE 112 N 0.38 1.25 0.29 -0.67 2.04 -1.02 -1.14 117.51 118.64 2mga h ILE 112 Ca 0.11 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2mga h ILE 112 Cb 0.02 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2mga h ILE 112 CO -0.02 0.34 -0.18 -0.74 0.00 0.00 0.00 178.15 177.54 2mga h HIS 113 N 1.05 -0.48 -0.55 1.37 2.76 -1.01 -1.42 115.15 116.88 2mga h HIS 113 Ca 0.24 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2mga h HIS 113 Cb 0.26 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 2mga h HIS 113 CO 0.02 -0.29 0.20 0.28 -1.30 0.00 0.00 177.93 176.84 2mga h VAL 114 N -0.46 1.23 -0.78 5.26 2.07 -0.89 -1.00 116.25 121.67 2mga h VAL 114 Ca -0.03 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2mga h VAL 114 Cb 0.38 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2mga h VAL 114 CO 0.03 0.28 0.33 -0.07 0.02 0.00 0.00 177.57 178.16 2mga h LEU 115 N 0.75 1.05 -0.49 2.57 3.38 -1.23 0.77 115.31 122.10 2mga h LEU 115 Ca 0.18 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2mga h LEU 115 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2mga h LEU 115 CO -0.01 0.92 0.29 -0.74 0.09 0.00 0.00 178.44 178.99 2mga h HIS 116 N 1.12 0.54 -0.24 1.13 2.76 -1.03 0.16 115.15 119.59 2mga h HIS 116 Ca 0.26 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 2mga h HIS 116 Cb 0.18 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2mga h HIS 116 CO 0.02 0.31 -0.02 0.77 -1.30 0.00 0.00 177.93 177.70 2mga h SER 117 N 0.58 0.44 0.90 3.26 0.02 -0.90 -3.31 113.55 114.53 2mga h SER 117 Ca 0.20 -0.33 -0.22 0.00 -0.84 0.00 0.00 61.79 60.60 2mga h SER 117 Cb 0.03 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2mga h SER 117 CO -0.09 0.66 -1.16 0.03 -1.14 0.00 0.00 176.83 175.13 2mga h ARG 118 N 0.20 0.00 -2.18 3.45 3.08 -0.79 -3.40 114.38 114.74 2mga h ARG 118 Ca 0.07 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.56 2mga h ARG 118 Cb 0.45 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.09 2mga h ARG 118 CO 0.02 0.77 -0.84 0.72 -1.07 0.00 0.00 179.97 179.57 2mga n HIS 119 N -3.23 2.60 -0.33 3.04 8.25 0.56 -4.93 115.22 121.18 2mga n HIS 119 Ca -0.05 -3.93 0.12 0.00 -0.26 0.00 0.00 57.72 53.59 2mga n HIS 119 Cb 0.94 -0.47 0.33 0.00 1.12 0.00 0.00 29.99 31.92 2mga n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2mga h PRO 120 N 3.09 0.76 0.00 -0.41 0.13 -1.73 0.16 132.00 134.00 2mga h PRO 120 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2mga h PRO 120 Cb 0.68 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2mga h PRO 120 CO 0.70 0.50 0.00 0.78 -0.23 0.00 0.00 178.00 179.76 2mga h GLY 121 N 0.78 0.00 -0.47 1.56 0.00 -1.92 -3.01 103.07 100.01 2mga h GLY 121 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2mga h GLY 121 CO -0.29 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.95 2mga n ASN 122 N -2.92 2.40 -3.06 0.19 3.02 -0.82 -4.74 115.26 109.33 2mga n ASN 122 Ca 0.02 -2.11 -0.16 0.00 -0.03 0.00 0.00 54.58 52.30 2mga n ASN 122 Cb 0.38 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2mga n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2mga n PHE 123 N -0.23 -0.69 -1.50 3.10 7.35 0.50 -4.65 117.46 121.35 2mga n PHE 123 Ca 0.06 -3.34 -0.21 0.00 -0.76 0.00 0.00 57.45 53.19 2mga n PHE 123 Cb 0.36 0.14 0.16 0.00 0.35 0.00 0.00 39.48 40.49 2mga n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2mga n GLY 124 N 0.38 -1.69 0.44 7.13 0.00 -1.26 -4.63 105.19 105.56 2mga n GLY 124 Ca 0.20 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 2mga n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mga h ALA 125 N -2.00 -0.76 -0.27 4.61 0.00 -1.98 0.39 119.26 119.25 2mga h ALA 125 Ca -0.31 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2mga h ALA 125 Cb 0.87 0.95 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 2mga h ALA 125 CO 0.21 -1.02 -0.10 -0.44 0.00 0.00 0.00 179.25 177.90 2mga h ASP 126 N -0.52 -0.34 -0.57 0.00 3.32 -1.99 0.11 116.42 116.42 2mga h ASP 126 Ca 0.06 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2mga h ASP 126 Cb 0.66 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 2mga h ASP 126 CO -0.45 -0.12 0.29 0.00 -1.72 0.00 0.00 179.24 177.23 2mga h ALA 127 N 1.21 1.37 -0.28 3.45 0.00 -1.75 -0.47 119.26 122.79 2mga h ALA 127 Ca 0.14 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2mga h ALA 127 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2mga h ALA 127 CO -0.30 0.49 -0.54 0.37 0.00 0.00 0.00 179.25 179.27 2mga h GLN 128 N 0.85 0.83 -0.68 0.00 4.15 -0.70 -1.25 115.11 118.31 2mga h GLN 128 Ca 0.21 -0.52 0.03 0.00 0.77 0.00 0.00 58.65 59.13 2mga h GLN 128 Cb 0.10 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 2mga h GLN 128 CO -0.03 1.16 0.43 0.78 -1.93 0.00 0.00 178.83 179.24 2mga h GLY 129 N 0.75 0.98 1.11 2.39 0.00 -0.52 -1.15 103.07 106.64 2mga h GLY 129 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2mga h GLY 129 CO 0.12 0.28 0.13 0.00 0.00 0.00 0.00 176.54 177.07 2mga h ALA 130 N 1.29 0.95 -0.42 3.60 0.00 -0.98 -1.51 119.26 122.19 2mga h ALA 130 Ca 0.27 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2mga h ALA 130 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2mga h ALA 130 CO -0.10 0.66 -0.32 1.98 0.00 0.00 0.00 179.25 181.47 2mga h MET 131 N 1.03 0.95 -0.18 0.00 -1.53 -0.93 -0.21 114.93 114.06 2mga h MET 131 Ca 0.21 -0.46 0.02 0.00 -3.44 0.00 0.00 59.70 56.03 2mga h MET 131 Cb 0.41 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.44 2mga h MET 131 CO 0.01 1.12 0.05 -0.97 0.14 0.00 0.00 176.91 177.26 2mga h ASN 132 N 0.79 0.04 -0.82 1.39 -1.24 -1.17 0.37 115.58 114.93 2mga h ASN 132 Ca 0.08 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.14 2mga h ASN 132 Cb 0.91 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.93 2mga h ASN 132 CO 0.08 0.05 0.53 0.50 -1.29 0.00 0.00 177.43 177.30 2mga h LYS 133 N 0.13 0.99 -0.39 6.67 3.64 -1.11 0.66 116.57 127.17 2mga h LYS 133 Ca 0.08 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2mga h LYS 133 Cb 0.06 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2mga h LYS 133 CO -0.09 0.66 -0.10 0.00 -2.27 0.00 0.00 179.45 177.64 2mga h ALA 134 N 1.34 1.10 0.04 5.00 0.00 -0.54 0.11 119.26 126.32 2mga h ALA 134 Ca 0.33 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2mga h ALA 134 Cb 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.65 2mga h ALA 134 CO -0.11 0.56 -1.08 -0.07 0.00 0.00 0.00 179.25 178.55 2mga h LEU 135 N 0.62 0.77 -0.92 0.00 3.38 0.61 -1.64 115.31 118.12 2mga h LEU 135 Ca 0.11 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2mga h LEU 135 Cb 0.53 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2mga h LEU 135 CO 0.03 1.45 0.36 -0.33 0.09 0.00 0.00 178.44 180.05 2mga h GLU 136 N 0.30 1.14 -0.59 1.13 5.08 0.48 0.11 114.58 122.23 2mga h GLU 136 Ca -0.13 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2mga h GLU 136 Cb 1.73 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.75 2mga h GLU 136 CO 0.20 0.89 0.25 1.25 -1.00 0.00 0.00 179.01 180.60 2mga h LEU 137 N 1.13 0.80 -0.16 1.33 5.85 -0.59 -1.44 115.31 122.22 2mga h LEU 137 Ca 0.27 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2mga h LEU 137 Cb 0.13 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 2mga h LEU 137 CO -0.03 0.74 -0.47 0.15 -0.34 0.00 0.00 178.44 178.49 2mga h PHE 138 N 0.82 -1.36 -0.36 1.25 3.57 -0.80 -1.67 116.94 118.38 2mga h PHE 138 Ca 0.20 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.77 2mga h PHE 138 Cb 0.18 0.62 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2mga h PHE 138 CO 0.01 -0.50 0.21 0.00 -2.23 0.00 0.00 178.31 175.79 2mga h ARG 139 N -0.51 0.41 -0.30 1.11 3.08 -0.68 -1.08 114.38 116.42 2mga h ARG 139 Ca 0.07 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.15 2mga h ARG 139 Cb 0.64 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 2mga h ARG 139 CO -0.43 0.27 -0.02 -0.22 -1.07 0.00 0.00 179.97 178.50 2mga h LYS 140 N 0.42 0.07 -0.42 0.04 3.64 -1.21 0.21 116.57 119.32 2mga h LYS 140 Ca 0.15 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2mga h LYS 140 Cb 0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2mga h LYS 140 CO -0.07 0.04 0.11 -0.44 -2.27 0.00 0.00 179.45 176.82 2mga h ASP 141 N 0.07 0.63 -0.98 4.20 3.32 -1.24 -1.39 116.42 121.02 2mga h ASP 141 Ca 0.14 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2mga h ASP 141 Cb 0.20 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2mga h ASP 141 CO -0.26 0.69 0.64 0.40 -1.72 0.00 0.00 179.24 179.00 2mga h ILE 142 N 0.54 1.25 -0.58 0.35 1.08 -0.97 -1.72 117.51 117.47 2mga h ILE 142 Ca 0.13 -0.47 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2mga h ILE 142 Cb 0.30 -0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 33.84 2mga h ILE 142 CO 0.00 0.25 0.23 0.00 -0.69 0.00 0.00 178.15 177.94 2mga h ALA 143 N 1.35 1.31 -0.56 1.87 0.00 -0.30 -0.27 119.26 122.67 2mga h ALA 143 Ca 0.36 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2mga h ALA 143 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2mga h ALA 143 CO -0.08 0.51 0.02 0.00 0.00 0.00 0.00 179.25 179.70 2mga h ALA 144 N 1.42 0.75 -0.37 0.00 0.00 -0.84 -2.80 119.26 117.42 2mga h ALA 144 Ca 0.20 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2mga h ALA 144 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2mga h ALA 144 CO -0.02 0.56 -0.08 0.87 0.00 0.00 0.00 179.25 180.58 2mga h LYS 145 N 0.85 0.70 -0.62 0.00 6.56 -0.74 -2.73 116.57 120.60 2mga h LYS 145 Ca 0.16 -0.27 0.12 0.00 -1.06 0.00 0.00 60.65 59.61 2mga h LYS 145 Cb 0.52 -0.04 -0.12 0.00 -0.57 0.00 0.00 32.23 32.02 2mga h LYS 145 CO 0.03 0.85 -0.19 1.88 -2.06 0.00 0.00 179.45 179.96 2mga h TYR 146 N 0.50 -0.45 -0.50 -1.35 -1.99 -1.02 -0.40 116.97 111.76 2mga h TYR 146 Ca 0.09 0.06 0.04 0.00 2.00 0.00 0.00 58.73 60.92 2mga h TYR 146 Cb 0.59 0.29 -0.04 0.00 2.00 0.00 0.00 36.73 39.58 2mga h TYR 146 CO 0.05 -0.30 0.27 -0.22 -0.00 0.00 0.00 178.16 177.96 2mga h LYS 147 N -0.04 0.52 -0.04 4.88 3.64 -1.45 0.19 116.57 124.27 2mga h LYS 147 Ca 0.29 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2mga h LYS 147 Cb 0.49 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2mga h LYS 147 CO -0.66 0.35 -0.33 0.93 -2.27 0.00 0.00 179.45 177.47 2mga h GLU 148 N 0.54 0.08 0.00 1.90 5.08 -0.89 -2.88 114.58 118.41 2mga h GLU 148 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2mga h GLU 148 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2mga h GLU 148 CO -0.13 0.41 -0.31 1.28 -1.00 0.00 0.00 179.01 179.26 2mga n LEU 149 N -4.13 0.33 0.00 1.33 4.77 0.57 -4.94 117.00 114.94 2mga n LEU 149 Ca -0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2mga n LEU 149 Cb 0.39 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2mga n LEU 149 CO 0.39 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2mga n GLY 150 N 1.49 1.65 3.22 -0.72 0.00 -0.64 -5.05 105.19 105.13 2mga n GLY 150 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2mga n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mga s TYR 151 N -2.00 2.72 0.00 1.61 5.04 -0.80 -5.01 117.35 118.90 2mga s TYR 151 Ca 0.00 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.46 2mga s TYR 151 Cb 0.00 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.47 2mga s TYR 151 CO 0.00 -0.52 0.00 0.00 -1.34 0.00 0.00 175.55 173.69 2mga n GLN 152 N 4.01 0.00 0.00 4.97 10.64 -1.26 -3.57 117.38 132.17 2mga n GLN 152 Ca -0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.98 2mga n GLN 152 Cb 0.52 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.90 2mga n GLN 152 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64