#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 104m s LEU 2 N 0.00 4.40 0.88 1.34 1.02 -1.26 -5.05 118.68 120.01 104m s LEU 2 Ca 0.00 1.90 -0.12 0.00 0.02 0.00 0.00 54.13 55.93 104m s LEU 2 Cb 0.00 -3.93 0.12 0.00 0.02 0.00 0.00 46.19 42.40 104m s LEU 2 CO 0.00 -0.06 1.15 -0.94 0.02 0.00 0.00 176.35 176.52 104m s SER 3 N -1.48 3.85 0.26 2.29 1.04 -1.26 -4.84 113.70 113.55 104m s SER 3 Ca 0.49 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.81 104m s SER 3 Cb -0.21 -1.50 0.32 0.00 0.10 0.00 0.00 66.02 64.73 104m s SER 3 CO 0.27 -2.33 1.84 -0.08 0.98 0.00 0.00 173.24 173.91 104m h GLU 4 N -1.35 1.04 -0.51 4.02 4.57 -1.99 -1.22 114.58 119.13 104m h GLU 4 Ca -0.49 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 57.47 104m h GLU 4 Cb 1.33 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 104m h GLU 4 CO 0.63 0.83 0.08 0.78 -1.18 0.00 0.00 179.01 180.15 104m h GLY 5 N 1.08 0.86 1.18 1.92 0.00 -2.00 -1.61 103.07 104.50 104m h GLY 5 Ca 0.24 -0.52 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 104m h GLY 5 CO -0.02 0.49 -0.54 0.83 0.00 0.00 0.00 176.54 177.29 104m h GLU 6 N 0.77 0.87 -0.56 4.80 5.08 -1.69 -2.82 114.58 121.02 104m h GLU 6 Ca 0.16 -0.54 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 104m h GLU 6 Cb 0.34 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 104m h GLU 6 CO 0.01 1.18 0.15 -1.49 -1.00 0.00 0.00 179.01 177.86 104m h TRP 7 N 0.67 0.87 -0.80 4.33 4.06 -1.05 -2.24 115.95 121.80 104m h TRP 7 Ca 0.02 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.90 104m h TRP 7 Cb 1.14 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 29.01 104m h TRP 7 CO 0.07 0.72 0.51 1.96 -3.56 0.00 0.00 178.44 178.14 104m h GLN 8 N 0.82 1.06 -0.62 0.49 4.20 -1.16 0.27 115.11 120.18 104m h GLN 8 Ca 0.18 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 104m h GLN 8 Cb 0.27 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 104m h GLN 8 CO -0.00 0.72 0.22 -0.07 -0.67 0.00 0.00 178.83 179.02 104m h LEU 9 N 1.09 0.88 0.14 1.46 3.38 -1.22 -0.70 115.31 120.33 104m h LEU 9 Ca 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 104m h LEU 9 Cb -0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.43 104m h LEU 9 CO -0.06 0.84 -0.07 0.58 0.09 0.00 0.00 178.44 179.82 104m h VAL 10 N 0.87 0.98 0.00 1.22 2.07 -0.88 -2.99 116.25 117.52 104m h VAL 10 Ca 0.20 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 104m h VAL 10 Cb 0.25 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 104m h VAL 10 CO -0.01 0.11 -0.41 -0.07 0.02 0.00 0.00 177.57 177.21 104m h LEU 11 N -0.41 0.00 -0.08 2.57 3.38 -0.92 -1.73 115.31 118.13 104m h LEU 11 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 104m h LEU 11 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 104m h LEU 11 CO 0.03 0.41 0.03 -0.74 0.09 0.00 0.00 178.44 178.26 104m h HIS 12 N 0.00 0.13 -0.07 1.13 2.76 -1.13 -1.26 115.15 116.71 104m h HIS 12 Ca -0.00 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.04 104m h HIS 12 Cb 0.76 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 104m h HIS 12 CO 0.00 0.26 -0.48 -0.39 -1.30 0.00 0.00 177.93 176.01 104m h VAL 13 N -0.04 1.34 -0.30 5.26 -1.51 -1.39 -2.92 116.25 116.68 104m h VAL 13 Ca 0.03 -1.70 -0.06 0.00 -1.23 0.00 0.00 66.70 63.74 104m h VAL 13 Cb 0.18 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.16 104m h VAL 13 CO -0.00 0.50 -0.08 -0.25 -1.23 0.00 0.00 177.57 176.51 104m h TRP 14 N 0.15 0.53 -0.27 5.19 2.91 -1.10 -1.33 115.95 122.03 104m h TRP 14 Ca 0.01 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.94 104m h TRP 14 Cb 0.91 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 104m h TRP 14 CO 0.01 0.57 0.11 0.00 -1.03 0.00 0.00 178.44 178.10 104m h ALA 15 N 1.45 1.69 -0.17 2.65 0.00 -1.03 -0.08 119.26 123.77 104m h ALA 15 Ca 0.09 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 104m h ALA 15 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 104m h ALA 15 CO 0.02 0.25 -0.69 0.87 0.00 0.00 0.00 179.25 179.70 104m h LYS 16 N 0.37 0.70 -0.69 0.00 1.79 -1.32 -3.06 116.57 114.37 104m h LYS 16 Ca 0.09 -0.53 0.01 0.00 -2.18 0.00 0.00 60.65 58.04 104m h LYS 16 Cb 0.08 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 104m h LYS 16 CO -0.01 1.15 0.46 0.28 -1.08 0.00 0.00 179.45 180.25 104m h VAL 17 N 0.50 1.18 0.00 0.50 2.07 -0.02 -1.71 116.25 118.77 104m h VAL 17 Ca -0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.17 104m h VAL 17 Cb 1.30 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 104m h VAL 17 CO 0.14 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 104m n GLU 18 N -4.43 0.09 0.19 1.57 1.02 -0.34 -1.95 120.64 116.79 104m n GLU 18 Ca 0.07 0.21 0.07 0.00 -0.02 0.00 0.00 57.16 57.49 104m n GLU 18 Cb 0.04 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.28 104m n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 104m h ALA 19 N 2.56 0.95 -0.70 0.62 0.00 -1.35 -3.36 119.26 117.98 104m h ALA 19 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 104m h ALA 19 Cb 0.19 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.70 104m h ALA 19 CO 0.00 0.43 -0.71 -3.47 0.00 0.00 0.00 179.25 175.50 104m n ASP 20 N -3.43 -1.83 -0.22 0.00 2.03 -0.82 -5.00 116.55 107.27 104m n ASP 20 Ca 0.00 -3.09 -0.06 0.00 0.52 0.00 0.00 54.79 52.16 104m n ASP 20 Cb 0.52 0.97 0.04 0.00 -0.72 0.00 0.00 41.12 41.94 104m n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 104m h VAL 21 N 2.65 1.17 -0.45 5.18 2.07 -1.67 -2.28 116.25 122.93 104m h VAL 21 Ca -0.07 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 104m h VAL 21 Cb 0.98 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 104m h VAL 21 CO 0.38 0.17 0.25 0.00 0.02 0.00 0.00 177.57 178.39 104m h ALA 22 N 1.22 0.57 -0.59 1.67 0.00 -1.90 0.96 119.26 121.19 104m h ALA 22 Ca 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 104m h ALA 22 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 104m h ALA 22 CO -0.05 0.09 0.18 0.78 0.00 0.00 0.00 179.25 180.25 104m h GLY 23 N 0.59 0.98 1.02 0.00 0.00 -1.92 -1.86 103.07 101.89 104m h GLY 23 Ca 0.16 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 104m h GLY 23 CO -0.03 0.55 0.18 0.45 0.00 0.00 0.00 176.54 177.69 104m h HIS 24 N 0.83 1.02 -0.77 5.60 3.86 -1.16 -2.47 115.15 122.07 104m h HIS 24 Ca 0.19 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 104m h HIS 24 Cb 0.29 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 104m h HIS 24 CO 0.02 0.85 0.42 0.78 0.86 0.00 0.00 177.93 180.86 104m h GLY 25 N 0.90 1.14 0.88 2.45 0.00 -0.58 -1.72 103.07 106.15 104m h GLY 25 Ca 0.20 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 104m h GLY 25 CO -0.00 0.50 0.02 1.46 0.00 0.00 0.00 176.54 178.52 104m h GLN 26 N 1.06 0.07 -0.68 4.80 4.20 -1.20 -1.74 115.11 121.62 104m h GLN 26 Ca 0.27 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.99 104m h GLN 26 Cb 0.03 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 104m h GLN 26 CO -0.04 0.18 0.44 -0.44 -0.67 0.00 0.00 178.83 178.29 104m h ASP 27 N -0.05 0.74 0.02 1.46 3.32 -1.26 -0.67 116.42 119.97 104m h ASP 27 Ca 0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 104m h ASP 27 Cb 0.13 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.51 104m h ASP 27 CO -0.00 0.52 -0.01 0.40 -1.72 0.00 0.00 179.24 178.43 104m h ILE 28 N 0.88 1.18 -0.75 0.35 2.04 -1.23 -1.10 117.51 118.89 104m h ILE 28 Ca 0.26 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 104m h ILE 28 Cb -0.04 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 104m h ILE 28 CO -0.08 0.15 0.22 -0.07 0.00 0.00 0.00 178.15 178.37 104m h LEU 29 N -0.28 1.10 -0.72 1.44 3.38 -1.22 -1.09 115.31 117.93 104m h LEU 29 Ca -0.00 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 104m h LEU 29 Cb 0.27 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 104m h LEU 29 CO 0.00 1.02 0.13 0.40 0.09 0.00 0.00 178.44 180.09 104m h ILE 30 N 1.12 1.26 -0.58 1.22 2.04 -1.08 -0.67 117.51 120.82 104m h ILE 30 Ca 0.24 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 104m h ILE 30 Cb 0.32 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 104m h ILE 30 CO -0.01 0.38 0.17 -0.09 0.00 0.00 0.00 178.15 178.61 104m h ARG 31 N 1.05 0.90 -0.32 2.37 2.43 -0.91 -1.31 114.38 118.59 104m h ARG 31 Ca 0.21 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 104m h ARG 31 Cb 0.41 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 104m h ARG 31 CO 0.01 0.81 0.19 1.25 -1.51 0.00 0.00 179.97 180.72 104m h LEU 32 N 0.81 0.39 -0.92 3.80 5.85 -0.82 -1.27 115.31 123.16 104m h LEU 32 Ca 0.18 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 104m h LEU 32 Cb 0.29 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 104m h LEU 32 CO -0.00 0.34 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.88 104m h PHE 33 N 0.40 0.50 0.11 1.25 0.04 -0.95 -1.02 116.94 117.28 104m h PHE 33 Ca 0.11 -0.11 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 104m h PHE 33 Cb 0.03 -0.12 0.02 0.00 2.20 0.00 0.00 35.95 38.08 104m h PHE 33 CO -0.04 0.69 -1.21 0.87 -0.60 0.00 0.00 178.31 178.03 104m h LYS 34 N 0.38 0.50 0.01 1.51 1.57 -1.10 -3.11 116.57 116.33 104m h LYS 34 Ca 0.05 -0.68 -0.20 0.00 -1.87 0.00 0.00 60.65 57.95 104m h LYS 34 Cb 0.72 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 104m h LYS 34 CO 0.06 1.30 -0.93 0.77 -0.57 0.00 0.00 179.45 180.07 104m h SER 35 N 0.21 0.09 -2.35 0.86 0.02 -1.21 -3.39 113.55 107.79 104m h SER 35 Ca -0.16 -0.08 -0.59 0.00 -0.84 0.00 0.00 61.79 60.12 104m h SER 35 Cb 1.88 -0.03 -0.38 0.00 0.14 0.00 0.00 62.40 64.01 104m h SER 35 CO 0.22 0.97 -0.97 1.41 -1.14 0.00 0.00 176.83 177.32 104m n HIS 36 N -3.51 -0.52 -0.31 3.45 8.25 -0.39 -5.01 115.22 117.19 104m n HIS 36 Ca -0.02 -3.42 0.30 0.00 -0.26 0.00 0.00 57.72 54.32 104m n HIS 36 Cb 0.86 0.11 0.66 0.00 1.12 0.00 0.00 29.99 32.73 104m n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 104m h PRO 37 N 5.35 0.14 -0.01 -0.41 0.11 -1.74 -0.30 132.00 135.14 104m h PRO 37 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 104m h PRO 37 Cb 0.89 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 104m h PRO 37 CO 0.41 0.09 0.01 1.05 -0.21 0.00 0.00 178.00 179.36 104m h GLU 38 N 0.15 0.00 -0.15 1.05 9.09 -1.93 -2.29 114.58 120.50 104m h GLU 38 Ca 0.56 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.84 104m h GLU 38 Cb 1.92 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.01 104m h GLU 38 CO -0.12 0.00 -0.46 1.79 0.05 0.00 0.00 179.01 180.27 104m h THR 39 N 0.00 1.32 -0.25 -1.06 1.35 -1.37 -2.85 112.91 110.05 104m h THR 39 Ca 0.00 -1.65 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 104m h THR 39 Cb 0.03 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 104m h THR 39 CO -0.00 0.50 0.00 0.25 -0.25 0.00 0.00 175.52 176.02 104m h LEU 40 N 0.30 0.33 -2.56 3.87 5.85 -1.57 -2.61 115.31 118.93 104m h LEU 40 Ca 0.02 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 104m h LEU 40 Cb 0.93 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 104m h LEU 40 CO 0.08 0.39 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.24 104m h GLU 41 N 0.36 0.00 0.00 1.25 4.39 -1.57 -0.95 114.58 118.06 104m h GLU 41 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 104m h GLU 41 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 104m h GLU 41 CO 0.01 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.49 104m n LYS 42 N -3.68 0.00 -3.65 2.33 4.76 -0.98 -4.55 118.16 112.40 104m n LYS 42 Ca -0.03 0.16 -0.39 0.00 -2.87 0.00 0.00 58.31 55.18 104m n LYS 42 Cb 0.08 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 31.67 104m n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 104m s PHE 43 N -3.00 3.49 0.35 2.13 0.08 -0.36 -4.94 117.98 115.73 104m s PHE 43 Ca 0.10 -2.09 0.05 0.00 0.12 0.00 0.00 56.93 55.10 104m s PHE 43 Cb 0.13 -3.38 0.69 0.00 -0.57 0.00 0.00 43.02 39.89 104m s PHE 43 CO 0.37 -0.98 1.95 -0.44 -0.10 0.00 0.00 175.22 176.01 104m h ASP 44 N 8.29 0.73 0.88 1.36 3.32 -1.84 -1.09 116.42 128.06 104m h ASP 44 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 104m h ASP 44 Cb 1.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.46 104m h ASP 44 CO 0.79 0.47 0.00 0.08 -1.72 0.00 0.00 179.24 178.86 104m h ARG 45 N 0.83 0.00 -0.00 3.56 0.11 -1.94 -3.21 114.38 113.73 104m h ARG 45 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 104m h ARG 45 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 104m h ARG 45 CO -0.11 0.00 -0.13 1.19 0.10 0.00 0.00 179.97 181.02 104m n PHE 46 N -2.51 0.00 0.14 4.08 3.72 -0.78 -4.76 117.46 117.35 104m n PHE 46 Ca 0.02 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.61 104m n PHE 46 Cb 0.27 0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.53 104m n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 104m h LYS 47 N 0.20 0.00 0.00 -1.08 1.57 -1.23 -1.10 116.57 114.93 104m h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 104m h LYS 47 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 104m h LYS 47 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 179.45 180.00 104m h HIS 48 N 0.00 0.00 -3.05 -1.35 2.07 -1.85 -3.45 115.15 107.52 104m h HIS 48 Ca 0.16 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 57.11 104m h HIS 48 Cb 1.14 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.07 104m h HIS 48 CO 0.00 0.00 0.97 -0.51 -3.07 0.00 0.00 177.93 175.32 104m s LEU 49 N -4.70 3.96 -0.03 6.12 1.43 -0.42 -4.91 118.68 120.14 104m s LEU 49 Ca 0.10 1.37 0.13 0.00 -1.03 0.00 0.00 54.13 54.70 104m s LEU 49 Cb 0.11 -3.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.60 104m s LEU 49 CO 0.59 -1.02 0.27 0.29 0.23 0.00 0.00 176.35 176.71 104m n LYS 50 N 7.18 0.52 -4.42 1.70 5.02 -1.26 -5.00 118.16 121.90 104m n LYS 50 Ca 0.15 -0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.12 104m n LYS 50 Cb 0.46 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 104m n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 104m s THR 51 N -2.87 1.71 0.27 -0.18 -4.23 -1.26 -5.03 115.64 104.06 104m s THR 51 Ca -0.05 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.30 104m s THR 51 Cb 0.08 -2.38 0.12 0.00 1.34 0.00 0.00 72.50 71.66 104m s THR 51 CO 0.54 -0.35 1.78 -0.08 -0.54 0.00 0.00 174.62 175.97 104m h GLU 52 N 2.32 0.73 -0.62 3.99 4.81 -1.99 -2.14 114.58 121.68 104m h GLU 52 Ca -0.40 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 58.64 104m h GLU 52 Cb 1.23 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 104m h GLU 52 CO 0.66 0.75 0.37 0.00 -0.73 0.00 0.00 179.01 180.06 104m h ALA 53 N 1.30 0.79 -0.74 2.92 0.00 -1.98 0.25 119.26 121.80 104m h ALA 53 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 104m h ALA 53 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 104m h ALA 53 CO 0.02 0.27 0.24 0.93 0.00 0.00 0.00 179.25 180.71 104m h GLU 54 N 0.84 1.15 -0.55 0.00 5.08 -1.90 -1.74 114.58 117.46 104m h GLU 54 Ca 0.22 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 104m h GLU 54 Cb -0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 104m h GLU 54 CO -0.04 0.98 0.19 0.52 -1.00 0.00 0.00 179.01 179.65 104m h MET 55 N 1.11 0.84 0.00 2.33 2.86 -0.91 -2.46 114.93 118.71 104m h MET 55 Ca 0.24 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 104m h MET 55 Cb 0.30 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 104m h MET 55 CO -0.01 0.76 -0.14 0.87 1.06 0.00 0.00 176.91 179.45 104m h LYS 56 N 0.76 0.00 0.00 1.72 1.57 -0.58 -2.78 116.57 117.26 104m h LYS 56 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 104m h LYS 56 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 104m h LYS 56 CO -0.01 0.14 -0.56 0.00 -0.57 0.00 0.00 179.45 178.46 104m n ALA 57 N -2.29 3.59 -2.48 3.86 0.00 -0.69 -4.88 120.51 117.62 104m n ALA 57 Ca -0.02 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 104m n ALA 57 Cb 0.27 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 104m n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 104m s SER 58 N -3.10 6.80 0.25 0.00 0.15 -0.97 -4.90 113.70 111.93 104m s SER 58 Ca 0.10 1.28 0.09 0.00 0.70 0.00 0.00 55.95 58.13 104m s SER 58 Cb 0.17 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 62.22 104m s SER 58 CO 0.72 -0.95 1.57 -0.08 1.20 0.00 0.00 173.24 175.69 104m h GLU 59 N 8.73 0.03 -0.47 5.44 4.57 -1.89 -2.57 114.58 128.41 104m h GLU 59 Ca -0.25 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 57.81 104m h GLU 59 Cb 1.09 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 104m h GLU 59 CO 1.02 0.68 -0.09 0.22 -1.18 0.00 0.00 179.01 179.66 104m h ASP 60 N 0.02 0.83 -0.40 1.04 3.58 -1.97 0.36 116.42 119.89 104m h ASP 60 Ca -0.01 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.13 104m h ASP 60 Cb 1.17 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 104m h ASP 60 CO 0.09 0.95 -0.01 0.25 -2.88 0.00 0.00 179.24 177.64 104m h LEU 61 N 0.77 0.71 -0.52 2.28 5.85 -1.88 -1.69 115.31 120.82 104m h LEU 61 Ca 0.13 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 104m h LEU 61 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 104m h LEU 61 CO 0.04 0.85 0.30 0.50 -0.34 0.00 0.00 178.44 179.79 104m h LYS 62 N 0.54 0.72 -0.81 1.25 3.64 -1.07 -0.92 116.57 119.93 104m h LYS 62 Ca 0.11 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 104m h LYS 62 Cb 0.50 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 104m h LYS 62 CO 0.02 0.54 0.41 -0.22 -2.27 0.00 0.00 179.45 177.94 104m h LYS 63 N 0.70 1.14 0.00 1.90 3.64 -0.79 -2.58 116.57 120.58 104m h LYS 63 Ca 0.19 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 104m h LYS 63 Cb 0.02 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 104m h LYS 63 CO -0.03 0.86 -0.24 0.45 -2.27 0.00 0.00 179.45 178.22 104m h HIS 64 N 1.14 0.00 -0.22 1.91 3.86 -0.91 -2.55 115.15 118.37 104m h HIS 64 Ca 0.28 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.37 104m h HIS 64 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 104m h HIS 64 CO 0.01 0.24 -0.36 0.78 0.86 0.00 0.00 177.93 179.45 104m h GLY 65 N 2.92 0.52 1.14 2.45 0.00 -0.79 -2.04 103.07 107.27 104m h GLY 65 Ca -0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 104m h GLY 65 CO 0.03 0.44 -0.03 -2.08 0.00 0.00 0.00 176.54 174.91 104m h VAL 66 N 0.41 1.26 -0.14 4.60 2.07 -1.21 -2.54 116.25 120.71 104m h VAL 66 Ca 0.04 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.42 104m h VAL 66 Cb 0.83 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 104m h VAL 66 CO 0.07 0.42 -0.01 0.74 0.02 0.00 0.00 177.57 178.80 104m h THR 67 N 0.93 0.89 -0.18 2.57 2.02 -1.17 -0.62 112.91 117.35 104m h THR 67 Ca 0.16 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 104m h THR 67 Cb 0.58 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 104m h THR 67 CO 0.03 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.59 104m h VAL 68 N 0.03 1.14 -0.09 3.16 2.07 -1.31 -2.64 116.25 118.61 104m h VAL 68 Ca 0.07 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 104m h VAL 68 Cb 0.09 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 104m h VAL 68 CO -0.12 0.14 -0.34 -0.07 0.02 0.00 0.00 177.57 177.19 104m h LEU 69 N 0.14 0.17 -0.47 2.57 3.38 -1.36 -1.38 115.31 118.37 104m h LEU 69 Ca 0.06 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 104m h LEU 69 Cb 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 104m h LEU 69 CO -0.01 0.51 -0.30 0.74 0.09 0.00 0.00 178.44 179.47 104m h THR 70 N 0.15 1.27 -0.27 0.22 2.02 -1.01 0.49 112.91 115.78 104m h THR 70 Ca 0.02 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 65.65 104m h THR 70 Cb 0.68 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 104m h THR 70 CO 0.05 0.50 -0.12 0.00 0.37 0.00 0.00 175.52 176.31 104m h ALA 71 N 0.86 0.38 -0.76 6.16 0.00 -1.29 -1.92 119.26 122.69 104m h ALA 71 Ca 0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 104m h ALA 71 Cb 0.88 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 104m h ALA 71 CO 0.08 0.25 0.28 1.25 0.00 0.00 0.00 179.25 181.11 104m h LEU 72 N 0.30 1.07 -0.92 0.00 5.85 -1.16 -2.40 115.31 118.05 104m h LEU 72 Ca 0.06 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 104m h LEU 72 Cb 0.63 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 104m h LEU 72 CO 0.04 0.97 0.29 1.23 -0.34 0.00 0.00 178.44 180.63 104m h GLY 73 N 1.11 1.15 1.37 3.75 0.00 -0.77 -0.47 103.07 109.20 104m h GLY 73 Ca 0.25 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 104m h GLY 73 CO -0.02 0.58 0.26 0.00 0.00 0.00 0.00 176.54 177.36 104m h ALA 74 N 1.27 1.37 -0.02 3.60 0.00 -0.99 -2.07 119.26 122.42 104m h ALA 74 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 104m h ALA 74 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 104m h ALA 74 CO -0.02 0.48 -0.03 0.82 0.00 0.00 0.00 179.25 180.50 104m h ILE 75 N 0.82 1.44 -0.99 0.00 2.04 -0.85 -3.25 117.51 116.71 104m h ILE 75 Ca 0.20 -1.33 0.06 0.00 1.00 0.00 0.00 64.86 64.79 104m h ILE 75 Cb 0.11 2.29 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 104m h ILE 75 CO -0.02 0.35 0.64 -0.07 0.00 0.00 0.00 178.15 179.04 104m h LEU 76 N -0.48 1.02 -0.23 1.44 3.38 -1.00 -1.40 115.31 118.03 104m h LEU 76 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 104m h LEU 76 Cb 0.59 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 104m h LEU 76 CO 0.01 0.65 0.00 0.29 0.09 0.00 0.00 178.44 179.48 104m n LYS 77 N -4.52 0.05 0.00 1.13 5.02 -0.79 -1.35 118.16 117.70 104m n LYS 77 Ca 0.15 0.36 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 104m n LYS 77 Cb 0.18 -1.60 0.47 0.00 -0.02 0.00 0.00 35.03 34.05 104m n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 104m n LYS 78 N -1.69 0.17 -3.88 1.97 4.76 -0.53 -4.96 118.16 114.00 104m n LYS 78 Ca 0.02 -0.06 -0.27 0.00 -2.87 0.00 0.00 58.31 55.13 104m n LYS 78 Cb 0.14 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.83 104m n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 104m n LYS 79 N -1.36 -2.83 0.00 1.97 5.02 -0.46 -1.39 118.16 119.11 104m n LYS 79 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 104m n LYS 79 Cb 0.32 -4.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.92 104m n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 104m n GLY 80 N -1.89 3.09 2.56 0.72 0.00 -1.26 -4.93 105.19 103.48 104m n GLY 80 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 104m n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 104m n HIS 81 N -1.07 2.66 -1.24 1.61 8.25 -0.49 -4.68 115.22 120.27 104m n HIS 81 Ca 0.00 -2.81 0.01 0.00 -0.26 0.00 0.00 57.72 54.66 104m n HIS 81 Cb 0.00 -1.85 0.22 0.00 1.12 0.00 0.00 29.99 29.49 104m n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 104m n HIS 82 N 2.14 1.09 -0.06 4.41 1.44 -1.26 -4.79 115.22 118.18 104m n HIS 82 Ca 0.57 -1.28 -0.07 0.00 -2.01 0.00 0.00 57.72 54.93 104m n HIS 82 Cb 0.27 -0.43 -0.01 0.00 0.12 0.00 0.00 29.99 29.94 104m n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 104m h GLU 83 N 1.32 -0.09 -0.21 -1.40 3.07 -1.99 -0.33 114.58 114.94 104m h GLU 83 Ca 0.14 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.96 104m h GLU 83 Cb 1.61 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.53 104m h GLU 83 CO 0.34 -0.06 -0.07 0.00 -1.40 0.00 0.00 179.01 177.82 104m h ALA 84 N 1.10 1.49 0.12 3.43 0.00 -2.01 -1.85 119.26 121.54 104m h ALA 84 Ca 0.13 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 104m h ALA 84 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 104m h ALA 84 CO -0.31 0.36 -1.26 0.93 0.00 0.00 0.00 179.25 178.97 104m h GLU 85 N 0.32 0.25 0.06 0.00 3.07 -1.82 -3.37 114.58 113.09 104m h GLU 85 Ca 0.07 -0.43 -0.25 0.00 -0.50 0.00 0.00 59.36 58.24 104m h GLU 85 Cb 0.33 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 104m h GLU 85 CO 0.02 1.20 -1.21 1.25 -1.40 0.00 0.00 179.01 178.86 104m h LEU 86 N 0.07 0.21 -0.00 1.33 6.46 -0.95 -3.37 115.31 119.06 104m h LEU 86 Ca -0.14 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.41 104m h LEU 86 Cb 1.97 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 41.77 104m h LEU 86 CO 0.20 1.19 -0.39 0.50 -0.62 0.00 0.00 178.44 179.32 104m h LYS 87 N 0.04 -0.52 -0.80 1.25 3.64 -1.49 -0.80 116.57 117.88 104m h LYS 87 Ca -0.11 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 104m h LYS 87 Cb 1.90 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.78 104m h LYS 87 CO 0.16 -0.35 0.52 -1.35 -2.27 0.00 0.00 179.45 176.16 104m h PRO 88 N -0.54 0.85 0.20 1.90 0.11 -1.77 -1.79 132.00 130.96 104m h PRO 88 Ca 0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 104m h PRO 88 Cb 0.63 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.55 104m h PRO 88 CO -0.30 0.56 -0.10 1.25 -0.21 0.00 0.00 178.00 179.20 104m h LEU 89 N 0.88 -0.23 -0.66 2.35 5.85 -1.58 -1.68 115.31 120.23 104m h LEU 89 Ca 0.34 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.89 104m h LEU 89 Cb 0.21 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 104m h LEU 89 CO -0.12 0.08 0.41 0.00 -0.34 0.00 0.00 178.44 178.47 104m h ALA 90 N 0.16 0.87 0.03 1.25 0.00 -0.93 -0.07 119.26 120.56 104m h ALA 90 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 104m h ALA 90 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 104m h ALA 90 CO 0.05 0.16 -0.13 1.96 0.00 0.00 0.00 179.25 181.28 104m h GLN 91 N 0.79 -0.22 -0.53 0.00 4.20 -1.28 0.19 115.11 118.26 104m h GLN 91 Ca 0.27 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.89 104m h GLN 91 Cb 0.04 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 104m h GLN 91 CO -0.12 -0.15 -0.10 0.66 -0.67 0.00 0.00 178.83 178.45 104m h SER 92 N -0.23 1.01 0.76 1.46 4.64 -1.07 -1.57 113.55 118.55 104m h SER 92 Ca 0.04 -0.35 -0.13 0.00 -0.47 0.00 0.00 61.79 60.88 104m h SER 92 Cb 0.28 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 104m h SER 92 CO -0.11 1.12 -0.62 0.45 -0.87 0.00 0.00 176.83 176.81 104m h HIS 93 N 0.88 0.00 0.00 4.77 3.86 -0.83 0.15 115.15 123.98 104m h HIS 93 Ca 0.14 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 104m h HIS 93 Cb 0.67 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 104m h HIS 93 CO 0.05 0.62 -0.11 0.00 0.86 0.00 0.00 177.93 179.35 104m h ALA 94 N 1.38 0.02 0.07 2.45 0.00 -0.93 0.27 119.26 122.53 104m h ALA 94 Ca -0.01 -0.41 -0.30 0.00 0.00 0.00 0.00 54.91 54.19 104m h ALA 94 Cb 1.17 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 104m h ALA 94 CO 0.08 0.07 -1.60 1.79 0.00 0.00 0.00 179.25 179.58 104m h THR 95 N -1.00 1.04 0.00 0.00 1.35 -1.39 -3.29 112.91 109.62 104m h THR 95 Ca -0.03 -2.76 -0.36 0.00 -0.55 0.00 0.00 66.41 62.71 104m h THR 95 Cb 0.73 2.63 -0.05 0.00 -1.73 0.00 0.00 68.15 69.73 104m h THR 95 CO -0.02 0.75 -2.11 1.17 -0.25 0.00 0.00 175.52 175.06 104m n LYS 96 N -3.33 0.57 0.17 4.72 4.81 -0.29 -4.64 118.16 120.18 104m n LYS 96 Ca -0.17 0.31 0.09 0.00 -0.87 0.00 0.00 58.31 57.67 104m n LYS 96 Cb 1.04 -1.52 0.10 0.00 0.02 0.00 0.00 35.03 34.66 104m n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 104m h HIS 97 N -1.00 0.00 -5.77 5.64 3.86 -0.91 -3.49 115.15 113.49 104m h HIS 97 Ca -0.55 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.33 104m h HIS 97 Cb 1.46 0.00 0.14 0.00 1.06 0.00 0.00 27.41 30.08 104m h HIS 97 CO -0.11 0.13 -0.85 1.63 0.86 0.00 0.00 177.93 179.59 104m n LYS 98 N -3.04 -3.43 -3.48 2.45 4.76 -0.25 -4.98 118.16 110.19 104m n LYS 98 Ca 0.02 0.73 -0.41 0.00 -2.87 0.00 0.00 58.31 55.78 104m n LYS 98 Cb 0.59 -5.38 -0.10 0.00 -1.84 0.00 0.00 35.03 28.30 104m n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 104m s ILE 99 N -3.46 5.25 0.61 -0.18 -1.09 0.78 -5.01 121.20 118.10 104m s ILE 99 Ca 0.28 -0.34 -0.18 0.00 -2.23 0.00 0.00 60.65 58.19 104m s ILE 99 Cb -0.06 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 104m s ILE 99 CO 0.78 -0.15 1.17 -2.16 -1.23 0.00 0.00 174.94 173.35 104m s PRO 100 N 1.77 2.94 0.42 2.79 0.04 -1.26 -4.71 135.00 137.00 104m s PRO 100 Ca 0.07 1.69 0.17 0.00 0.04 0.00 0.00 61.00 62.97 104m s PRO 100 Cb -0.18 -1.94 1.07 0.00 0.04 0.00 0.00 34.50 33.49 104m s PRO 100 CO 0.11 -1.19 1.89 0.82 0.04 0.00 0.00 177.00 178.66 104m h ILE 101 N 0.68 0.74 -0.78 0.56 1.08 -1.91 -1.13 117.51 116.75 104m h ILE 101 Ca -0.49 -0.14 0.13 0.00 -0.39 0.00 0.00 64.86 63.96 104m h ILE 101 Cb 1.28 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 104m h ILE 101 CO 0.55 0.07 0.51 0.50 -0.69 0.00 0.00 178.15 179.10 104m h LYS 102 N 0.41 0.56 -0.03 2.37 1.63 -1.92 0.93 116.57 120.52 104m h LYS 102 Ca 0.42 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.08 104m h LYS 102 Cb 1.01 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 104m h LYS 102 CO -0.14 0.37 -0.45 1.88 -3.45 0.00 0.00 179.45 177.65 104m h TYR 103 N 0.58 0.07 -0.06 1.91 -1.99 -1.56 -1.47 116.97 114.45 104m h TYR 103 Ca 0.38 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.98 104m h TYR 103 Cb 0.66 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.36 104m h TYR 103 CO -0.00 0.50 -0.47 -0.07 -0.00 0.00 0.00 178.16 178.13 104m h LEU 104 N 0.05 0.15 -0.50 3.88 3.38 -0.87 -1.30 115.31 120.09 104m h LEU 104 Ca 0.00 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 104m h LEU 104 Cb 0.82 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 104m h LEU 104 CO 0.06 0.60 -0.09 -0.08 0.09 0.00 0.00 178.44 179.02 104m h GLU 105 N 0.11 0.95 -0.25 1.13 4.81 -0.64 -2.00 114.58 118.69 104m h GLU 105 Ca 0.01 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 104m h GLU 105 Cb 0.87 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 104m h GLU 105 CO 0.07 1.01 0.14 0.74 -0.73 0.00 0.00 179.01 180.24 104m h PHE 106 N 0.81 0.33 -0.01 0.92 0.04 -0.79 -2.06 116.94 116.18 104m h PHE 106 Ca 0.13 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 104m h PHE 106 Cb 0.64 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 104m h PHE 106 CO 0.05 0.27 -0.33 0.97 -0.60 0.00 0.00 178.31 178.67 104m h ILE 107 N 0.30 1.24 -0.68 -0.55 2.10 -1.20 -2.15 117.51 116.57 104m h ILE 107 Ca 0.09 -1.14 -0.07 0.00 1.08 0.00 0.00 64.86 64.82 104m h ILE 107 Cb 0.05 1.60 -0.03 0.00 -1.09 0.00 0.00 36.82 37.35 104m h ILE 107 CO -0.02 0.33 0.15 0.28 -1.08 0.00 0.00 178.15 177.82 104m h SER 108 N 0.02 1.03 -0.42 2.19 0.02 -0.87 -0.42 113.55 115.10 104m h SER 108 Ca 0.00 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 104m h SER 108 Cb 0.59 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 104m h SER 108 CO 0.04 0.99 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.38 104m h GLU 109 N 1.03 0.83 -0.51 3.45 4.39 -0.80 -1.72 114.58 121.24 104m h GLU 109 Ca 0.21 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 104m h GLU 109 Cb 0.38 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 104m h GLU 109 CO 0.00 0.84 0.00 0.00 -1.16 0.00 0.00 179.01 178.70 104m h ALA 110 N 1.21 0.69 -0.55 3.43 0.00 -0.80 -1.41 119.26 121.83 104m h ALA 110 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 104m h ALA 110 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 104m h ALA 110 CO 0.02 0.50 0.27 0.82 0.00 0.00 0.00 179.25 180.87 104m h ILE 111 N 0.77 1.20 -0.66 0.00 2.04 -0.79 -1.51 117.51 118.55 104m h ILE 111 Ca 0.15 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 104m h ILE 111 Cb 0.52 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 104m h ILE 111 CO 0.03 0.22 0.09 0.40 0.00 0.00 0.00 178.15 178.89 104m h ILE 112 N 0.74 1.26 -0.33 -0.67 2.04 -1.13 -1.56 117.51 117.87 104m h ILE 112 Ca 0.19 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 104m h ILE 112 Cb 0.10 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 104m h ILE 112 CO -0.03 0.40 0.14 -0.74 0.00 0.00 0.00 178.15 177.93 104m h HIS 113 N 1.03 0.48 -0.48 1.37 2.76 -1.00 -2.27 115.15 117.04 104m h HIS 113 Ca 0.20 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 104m h HIS 113 Cb 0.46 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 104m h HIS 113 CO 0.03 0.44 -0.08 0.28 -1.30 0.00 0.00 177.93 177.30 104m h VAL 114 N 0.39 1.26 -0.21 5.26 2.07 -1.10 -2.10 116.25 121.81 104m h VAL 114 Ca 0.11 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 104m h VAL 114 Cb 0.15 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 104m h VAL 114 CO -0.01 0.41 -0.20 -0.07 0.02 0.00 0.00 177.57 177.72 104m h LEU 115 N 0.78 0.36 -0.36 2.57 3.38 -1.16 -1.91 115.31 118.97 104m h LEU 115 Ca 0.13 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 104m h LEU 115 Cb 0.58 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 104m h LEU 115 CO 0.04 0.58 -0.41 -0.74 0.09 0.00 0.00 178.44 177.99 104m h HIS 116 N 0.34 1.11 0.00 1.13 2.76 -1.05 -0.93 115.15 118.51 104m h HIS 116 Ca 0.06 -0.35 -0.10 0.00 -2.20 0.00 0.00 60.37 57.78 104m h HIS 116 Cb 0.54 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 104m h HIS 116 CO 0.01 1.18 -0.45 0.66 -1.30 0.00 0.00 177.93 178.03 104m h SER 117 N 0.73 0.00 0.18 3.26 4.64 -1.12 -3.22 113.55 118.02 104m h SER 117 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 104m h SER 117 Cb 1.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 104m h SER 117 CO 0.10 0.45 -1.84 0.54 -0.87 0.00 0.00 176.83 175.22 104m n ARG 118 N -3.43 0.65 -3.07 4.77 1.74 -0.74 -4.67 116.66 111.92 104m n ARG 118 Ca 0.00 -0.13 -0.17 0.00 -0.77 0.00 0.00 57.85 56.78 104m n ARG 118 Cb 0.61 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 104m n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 104m n HIS 119 N -2.36 0.73 -0.09 -1.55 8.25 -0.36 -4.97 115.22 114.87 104m n HIS 119 Ca -0.05 -3.65 -0.07 0.00 -0.26 0.00 0.00 57.72 53.70 104m n HIS 119 Cb 0.60 -0.41 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 104m n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 104m h PRO 120 N 2.99 -0.16 0.00 -0.41 0.11 -1.75 -0.23 132.00 132.55 104m h PRO 120 Ca 0.07 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 104m h PRO 120 Cb 0.97 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 104m h PRO 120 CO 0.53 -0.11 -0.02 0.78 -0.21 0.00 0.00 178.00 178.98 104m h GLY 121 N -0.17 0.00 -1.47 -0.55 0.00 -1.93 -1.82 103.07 97.14 104m h GLY 121 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 104m h GLY 121 CO -0.44 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.32 104m n ASP 122 N -4.19 2.98 -2.98 0.19 8.00 -0.78 -4.69 116.55 115.08 104m n ASP 122 Ca -0.03 -1.94 -0.19 0.00 0.71 0.00 0.00 54.79 53.33 104m n ASP 122 Cb 0.10 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 104m n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 104m n PHE 123 N 0.72 1.50 -1.60 1.24 7.35 -0.17 -4.70 117.46 121.80 104m n PHE 123 Ca 0.13 -3.63 -0.23 0.00 -0.76 0.00 0.00 57.45 52.97 104m n PHE 123 Cb 0.44 -0.40 0.16 0.00 0.35 0.00 0.00 39.48 40.03 104m n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 104m n GLY 124 N 0.04 -1.60 0.31 7.13 0.00 -1.24 -4.65 105.19 105.19 104m n GLY 124 Ca 0.25 -1.67 0.10 0.00 0.00 0.00 0.00 46.02 44.70 104m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 104m h ALA 125 N -1.94 1.38 -0.59 4.61 0.00 -1.98 0.54 119.26 121.28 104m h ALA 125 Ca -0.33 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 104m h ALA 125 Cb 0.92 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 104m h ALA 125 CO 0.23 -0.19 0.28 0.38 0.00 0.00 0.00 179.25 179.95 104m h ASP 126 N 0.54 0.77 -0.07 0.00 2.03 -1.99 0.68 116.42 118.37 104m h ASP 126 Ca 0.51 -0.13 -0.15 0.00 -0.73 0.00 0.00 57.03 56.53 104m h ASP 126 Cb 0.84 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.14 104m h ASP 126 CO -0.43 0.68 -0.48 0.00 -1.03 0.00 0.00 179.24 177.98 104m h ALA 127 N 1.12 0.71 -0.70 4.15 0.00 -1.59 -1.93 119.26 121.02 104m h ALA 127 Ca 0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 104m h ALA 127 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 104m h ALA 127 CO -0.03 0.67 0.24 0.37 0.00 0.00 0.00 179.25 180.50 104m h GLN 128 N 0.50 1.08 -0.48 0.00 4.15 -0.62 -0.32 115.11 119.43 104m h GLN 128 Ca 0.03 -0.22 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 104m h GLN 128 Cb 1.03 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 104m h GLN 128 CO 0.10 0.92 0.12 0.78 -1.93 0.00 0.00 178.83 178.82 104m h GLY 129 N 1.02 0.82 0.94 2.39 0.00 -0.66 -0.91 103.07 106.66 104m h GLY 129 Ca 0.23 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 104m h GLY 129 CO -0.01 0.47 0.10 0.00 0.00 0.00 0.00 176.54 177.10 104m h ALA 130 N 0.99 0.53 -0.59 3.60 0.00 -1.13 -1.77 119.26 120.89 104m h ALA 130 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 104m h ALA 130 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 104m h ALA 130 CO 0.00 0.20 0.27 1.98 0.00 0.00 0.00 179.25 181.70 104m h MET 131 N 0.51 0.86 -0.60 0.00 -1.53 -0.90 -1.04 114.93 112.22 104m h MET 131 Ca 0.13 -0.14 0.02 0.00 -3.44 0.00 0.00 59.70 56.27 104m h MET 131 Cb 0.31 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.17 104m h MET 131 CO 0.00 0.71 0.38 -0.97 0.14 0.00 0.00 176.91 177.17 104m h ASN 132 N 0.81 0.64 -0.72 1.39 -1.24 -0.96 -0.58 115.58 114.91 104m h ASN 132 Ca 0.20 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 104m h ASN 132 Cb 0.14 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 104m h ASN 132 CO -0.02 0.45 0.43 0.11 -1.29 0.00 0.00 177.43 177.11 104m h LYS 133 N 0.76 0.98 -0.72 6.67 1.57 -0.91 -0.35 116.57 124.56 104m h LYS 133 Ca 0.23 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 104m h LYS 133 Cb -0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 104m h LYS 133 CO -0.08 0.71 0.19 0.00 -0.57 0.00 0.00 179.45 179.70 104m h ALA 134 N 1.22 0.97 -0.11 3.86 0.00 -0.53 -1.75 119.26 122.93 104m h ALA 134 Ca 0.26 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 104m h ALA 134 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 104m h ALA 134 CO -0.05 0.67 -0.49 -0.07 0.00 0.00 0.00 179.25 179.32 104m h LEU 135 N 1.09 0.29 -0.61 0.00 3.38 -0.85 -2.33 115.31 116.28 104m h LEU 135 Ca 0.23 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 104m h LEU 135 Cb 0.35 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 104m h LEU 135 CO -0.00 0.73 -0.31 -0.33 0.09 0.00 0.00 178.44 178.62 104m h GLU 136 N 0.22 0.77 -0.25 1.13 5.08 -0.86 -1.60 114.58 119.06 104m h GLU 136 Ca 0.01 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 104m h GLU 136 Cb 0.94 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 104m h GLU 136 CO 0.08 0.97 0.16 1.25 -1.00 0.00 0.00 179.01 180.47 104m h LEU 137 N 0.65 0.30 -0.46 1.33 5.85 -1.13 0.88 115.31 122.73 104m h LEU 137 Ca 0.07 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.83 104m h LEU 137 Cb 0.84 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 104m h LEU 137 CO 0.07 0.23 0.14 0.15 -0.34 0.00 0.00 178.44 178.69 104m h PHE 138 N 0.33 0.24 -0.56 1.25 3.57 -1.25 -1.19 116.94 119.33 104m h PHE 138 Ca 0.09 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 104m h PHE 138 Cb -0.02 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 104m h PHE 138 CO -0.05 0.07 -0.02 -0.09 -2.23 0.00 0.00 178.31 175.98 104m h ARG 139 N 0.30 1.01 -0.60 1.11 2.43 -0.92 -1.69 114.38 116.02 104m h ARG 139 Ca 0.22 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 104m h ARG 139 Cb 0.24 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 104m h ARG 139 CO -0.24 1.02 0.23 -0.22 -1.51 0.00 0.00 179.97 179.25 104m h LYS 140 N 0.90 0.91 -0.36 0.20 3.64 -0.51 0.49 116.57 121.84 104m h LYS 140 Ca 0.16 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 104m h LYS 140 Cb 0.57 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 104m h LYS 140 CO 0.03 0.78 -0.34 -0.44 -2.27 0.00 0.00 179.45 177.21 104m h ASP 141 N 0.84 0.86 -0.49 4.20 3.32 -1.01 -2.43 116.42 121.71 104m h ASP 141 Ca 0.20 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 104m h ASP 141 Cb 0.22 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 104m h ASP 141 CO -0.01 1.11 -0.15 0.40 -1.72 0.00 0.00 179.24 178.87 104m h ILE 142 N 0.68 1.27 -0.97 0.35 1.08 -1.13 -2.98 117.51 115.80 104m h ILE 142 Ca 0.07 -1.30 0.02 0.00 -0.39 0.00 0.00 64.86 63.26 104m h ILE 142 Cb 0.89 1.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.62 104m h ILE 142 CO 0.08 0.45 0.64 0.00 -0.69 0.00 0.00 178.15 178.64 104m h ALA 143 N 0.95 1.25 -0.69 1.87 0.00 -0.67 -0.29 119.26 121.68 104m h ALA 143 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 104m h ALA 143 Cb 0.71 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 104m h ALA 143 CO 0.05 0.59 0.14 0.00 0.00 0.00 0.00 179.25 180.03 104m h ALA 144 N 1.37 0.91 -0.53 0.00 0.00 -1.31 -0.98 119.26 118.73 104m h ALA 144 Ca 0.37 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 104m h ALA 144 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 104m h ALA 144 CO -0.09 0.66 -0.06 0.87 0.00 0.00 0.00 179.25 180.63 104m h LYS 145 N 1.06 0.96 -0.46 0.00 6.56 -1.26 -2.09 116.57 121.34 104m h LYS 145 Ca 0.21 -0.32 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 104m h LYS 145 Cb 0.41 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 104m h LYS 145 CO 0.01 0.99 0.24 1.88 -2.06 0.00 0.00 179.45 180.51 104m h TYR 146 N 0.87 0.64 -0.71 -1.35 -1.99 -0.69 -2.37 116.97 111.37 104m h TYR 146 Ca 0.15 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 104m h TYR 146 Cb 0.60 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.10 104m h TYR 146 CO 0.04 0.49 0.34 -0.22 -0.00 0.00 0.00 178.16 178.81 104m h LYS 147 N 0.60 1.02 -0.62 4.88 3.64 -0.98 0.15 116.57 125.26 104m h LYS 147 Ca 0.16 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 104m h LYS 147 Cb 0.08 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 104m h LYS 147 CO -0.02 0.80 0.36 1.49 -2.27 0.00 0.00 179.45 179.80 104m h GLU 148 N 0.98 0.67 0.00 1.90 4.81 -1.22 -2.09 114.58 119.63 104m h GLU 148 Ca 0.24 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 104m h GLU 148 Cb 0.12 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.35 104m h GLU 148 CO -0.03 0.44 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 104m n LEU 149 N -4.77 0.00 0.00 1.64 4.77 -0.87 -4.92 117.00 112.85 104m n LEU 149 Ca 0.07 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 104m n LEU 149 Cb 0.12 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 104m n LEU 149 CO 0.31 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 104m n GLY 150 N 1.27 0.78 0.35 -0.72 0.00 -0.20 -4.97 105.19 101.71 104m n GLY 150 Ca 0.07 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.53 104m n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 104m n TYR 151 N -2.64 0.29 -1.54 1.61 4.02 0.35 -4.98 117.16 114.27 104m n TYR 151 Ca 0.00 -0.62 -0.28 0.00 -0.01 0.00 0.00 57.90 56.98 104m n TYR 151 Cb 0.10 -0.09 -0.09 0.00 -0.02 0.00 0.00 39.34 39.23 104m n TYR 151 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 104m n GLN 152 N -0.29 0.57 0.00 -0.72 -0.06 -1.19 -4.80 117.38 110.89 104m n GLN 152 Ca 0.09 -0.25 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 104m n GLN 152 Cb 0.46 -2.83 0.00 0.00 -4.06 0.00 0.00 30.24 23.81 104m n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27