#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bli s LEU 2 N 0.00 4.09 0.60 7.52 1.02 -1.26 -5.08 118.68 125.56 2bli s LEU 2 Ca 0.00 0.88 -0.08 0.00 0.02 0.00 0.00 54.13 54.95 2bli s LEU 2 Cb 0.00 -3.67 -0.01 0.00 0.02 0.00 0.00 46.19 42.53 2bli s LEU 2 CO 0.00 -0.15 0.94 -0.94 0.02 0.00 0.00 176.35 176.22 2bli s SER 3 N -2.73 5.82 0.28 2.29 1.04 -1.26 -4.90 113.70 114.24 2bli s SER 3 Ca 0.47 0.98 -0.02 0.00 0.48 0.00 0.00 55.95 57.86 2bli s SER 3 Cb -0.11 -2.02 0.42 0.00 0.10 0.00 0.00 66.02 64.42 2bli s SER 3 CO 0.25 -0.98 1.91 -0.08 0.98 0.00 0.00 173.24 175.31 2bli h GLU 4 N -0.22 1.13 -0.80 4.02 4.57 -1.99 -1.24 114.58 120.04 2bli h GLU 4 Ca -0.45 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 57.66 2bli h GLU 4 Cb 1.23 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.53 2bli h GLU 4 CO 0.62 0.75 0.52 0.78 -1.18 0.00 0.00 179.01 180.50 2bli h GLY 5 N 1.16 1.14 1.19 1.92 0.00 -2.00 -0.48 103.07 106.00 2bli h GLY 5 Ca 0.40 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 2bli h GLY 5 CO -0.14 0.43 -0.51 0.83 0.00 0.00 0.00 176.54 177.14 2bli h GLU 6 N 1.09 0.86 -0.57 4.80 5.08 -1.63 -2.80 114.58 121.42 2bli h GLU 6 Ca 0.29 -0.52 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 2bli h GLU 6 Cb -0.11 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2bli h GLU 6 CO -0.06 1.16 0.17 -1.49 -1.00 0.00 0.00 179.01 177.79 2bli h TRP 7 N 0.67 0.88 -0.69 4.33 4.06 -0.81 -2.22 115.95 122.17 2bli h TRP 7 Ca 0.02 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 2bli h TRP 7 Cb 1.11 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.98 2bli h TRP 7 CO 0.07 0.71 0.33 1.96 -3.56 0.00 0.00 178.44 177.95 2bli h GLN 8 N 0.84 0.98 -0.45 0.49 1.08 -0.96 0.43 115.11 117.53 2bli h GLN 8 Ca 0.19 -0.13 -0.12 0.00 -1.45 0.00 0.00 58.65 57.14 2bli h GLN 8 Cb 0.25 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2bli h GLN 8 CO -0.01 0.76 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.37 2bli h LEU 9 N 0.98 0.90 -0.01 1.46 3.38 -1.18 -1.11 115.31 119.73 2bli h LEU 9 Ca 0.24 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2bli h LEU 9 Cb 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2bli h LEU 9 CO -0.03 1.07 -0.00 0.58 0.09 0.00 0.00 178.44 180.15 2bli h VAL 10 N 0.77 1.28 0.00 1.22 2.07 -0.83 -3.01 116.25 117.75 2bli h VAL 10 Ca 0.11 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2bli h VAL 10 Cb 0.74 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2bli h VAL 10 CO 0.06 0.22 -0.29 -0.07 0.02 0.00 0.00 177.57 177.51 2bli h LEU 11 N -0.33 0.00 -0.38 2.57 -0.00 -0.92 -1.67 115.31 114.58 2bli h LEU 11 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2bli h LEU 11 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2bli h LEU 11 CO 0.00 0.29 0.06 -0.74 -0.00 0.00 0.00 178.44 178.05 2bli h HIS 12 N 0.00 0.67 0.00 1.13 2.76 -1.15 -1.20 115.15 117.35 2bli h HIS 12 Ca -0.00 -0.09 -0.18 0.00 -2.20 0.00 0.00 60.37 57.89 2bli h HIS 12 Cb 0.66 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 2bli h HIS 12 CO 0.00 0.67 -0.85 -0.24 -1.30 0.00 0.00 177.93 176.21 2bli h VAL 13 N 0.47 1.58 -0.13 5.26 3.04 -1.40 -3.14 116.25 121.93 2bli h VAL 13 Ca 0.12 -2.96 -0.07 0.00 -1.01 0.00 0.00 66.70 62.78 2bli h VAL 13 Cb 0.37 2.61 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 2bli h VAL 13 CO 0.01 0.84 -0.22 -0.25 -1.01 0.00 0.00 177.57 176.93 2bli h TRP 14 N 0.00 0.25 -0.19 3.17 2.91 -1.11 -1.71 115.95 119.27 2bli h TRP 14 Ca -0.01 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.97 2bli h TRP 14 Cb 1.54 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.12 2bli h TRP 14 CO 0.00 0.45 0.10 0.00 -1.03 0.00 0.00 178.44 177.96 2bli h ALA 15 N 1.56 1.83 -0.05 2.65 0.00 -1.16 -1.04 119.26 123.05 2bli h ALA 15 Ca 0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 2bli h ALA 15 Cb 0.52 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bli h ALA 15 CO 0.04 0.15 -0.95 0.87 0.00 0.00 0.00 179.25 179.36 2bli h LYS 16 N 0.26 0.68 -0.95 0.00 1.79 -1.41 -3.16 116.57 113.80 2bli h LYS 16 Ca 0.07 -0.67 0.02 0.00 -2.18 0.00 0.00 60.65 57.88 2bli h LYS 16 Cb 0.01 0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 2bli h LYS 16 CO -0.01 1.27 0.62 0.28 -1.08 0.00 0.00 179.45 180.53 2bli h VAL 17 N 0.41 1.22 0.00 0.50 2.07 -0.84 -2.01 116.25 117.61 2bli h VAL 17 Ca -0.10 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2bli h VAL 17 Cb 1.59 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2bli h VAL 17 CO 0.18 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 177.38 2bli n GLU 18 N -4.41 0.01 0.21 1.57 1.02 -0.49 -1.52 120.64 117.02 2bli n GLU 18 Ca 0.12 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.78 2bli n GLU 18 Cb 0.04 -1.52 0.42 0.00 -0.02 0.00 0.00 31.44 30.37 2bli n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bli h ALA 19 N 2.23 1.00 -0.70 0.62 0.00 -1.42 -3.37 119.26 117.63 2bli h ALA 19 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 2bli h ALA 19 Cb 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.70 2bli h ALA 19 CO 0.00 0.00 -0.67 -3.47 0.00 0.00 0.00 179.25 175.11 2bli n ASP 20 N -2.82 -2.09 -0.13 0.00 2.03 -0.58 -5.02 116.55 107.93 2bli n ASP 20 Ca 0.03 -3.08 -0.07 0.00 0.52 0.00 0.00 54.79 52.19 2bli n ASP 20 Cb 0.40 1.11 0.01 0.00 -0.72 0.00 0.00 41.12 41.92 2bli n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2bli h VAL 21 N 3.01 1.06 -0.70 5.18 3.04 -1.71 -2.07 116.25 124.07 2bli h VAL 21 Ca -0.06 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.43 2bli h VAL 21 Cb 1.00 0.50 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 2bli h VAL 21 CO 0.33 0.09 0.33 0.00 -1.01 0.00 0.00 177.57 177.32 2bli h ALA 22 N 1.18 0.90 -0.47 3.17 0.00 -1.91 -0.05 119.26 122.07 2bli h ALA 22 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2bli h ALA 22 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2bli h ALA 22 CO -0.06 0.46 0.09 0.78 0.00 0.00 0.00 179.25 180.52 2bli h GLY 23 N 0.97 0.83 1.38 0.00 0.00 -1.92 -1.96 103.07 102.37 2bli h GLY 23 Ca 0.24 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 2bli h GLY 23 CO -0.03 0.50 -0.16 0.45 0.00 0.00 0.00 176.54 177.30 2bli h HIS 24 N 0.64 0.81 -0.37 5.60 3.86 -1.16 -2.62 115.15 121.91 2bli h HIS 24 Ca 0.14 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2bli h HIS 24 Cb 0.36 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 2bli h HIS 24 CO 0.02 0.84 0.22 0.78 0.86 0.00 0.00 177.93 180.65 2bli h GLY 25 N 0.98 0.51 0.92 2.45 0.00 -0.70 -1.93 103.07 105.30 2bli h GLY 25 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2bli h GLY 25 CO 0.04 0.14 0.03 1.46 0.00 0.00 0.00 176.54 178.22 2bli h GLN 26 N 0.44 0.09 -0.54 4.80 4.20 -1.23 -2.10 115.11 120.76 2bli h GLN 26 Ca 0.15 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.90 2bli h GLN 26 Cb 0.01 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 2bli h GLN 26 CO -0.07 0.14 0.27 -0.44 -0.67 0.00 0.00 178.83 178.07 2bli h ASP 27 N 0.01 0.39 -0.08 1.46 3.32 -1.35 -0.73 116.42 119.44 2bli h ASP 27 Ca 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2bli h ASP 27 Cb 0.08 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2bli h ASP 27 CO -0.00 0.26 0.02 0.40 -1.72 0.00 0.00 179.24 178.21 2bli h ILE 28 N 0.53 1.17 -0.19 0.35 2.04 -1.27 -1.41 117.51 118.74 2bli h ILE 28 Ca 0.24 -0.52 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 2bli h ILE 28 Cb 0.16 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2bli h ILE 28 CO -0.17 0.15 -0.42 -0.50 0.00 0.00 0.00 178.15 177.20 2bli h TRP 29 N -0.06 0.53 -0.33 1.37 4.06 -1.23 -1.57 115.95 118.71 2bli h TRP 29 Ca 0.03 -0.15 -0.13 0.00 2.06 0.00 0.00 58.89 60.69 2bli h TRP 29 Cb 0.21 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 2bli h TRP 29 CO -0.00 0.80 -0.34 0.82 -3.56 0.00 0.00 178.44 176.15 2bli h ILE 30 N 0.36 1.28 -0.46 1.49 2.04 -1.13 -0.81 117.51 120.29 2bli h ILE 30 Ca 0.03 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 2bli h ILE 30 Cb 0.90 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2bli h ILE 30 CO 0.08 0.49 0.26 -0.09 0.00 0.00 0.00 178.15 178.88 2bli h ARG 31 N 0.62 0.63 -0.02 2.37 9.65 -1.03 -0.96 114.38 125.64 2bli h ARG 31 Ca 0.06 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2bli h ARG 31 Cb 0.87 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2bli h ARG 31 CO 0.08 0.49 0.01 1.25 2.80 0.00 0.00 179.97 184.60 2bli h LEU 32 N 0.60 0.02 -1.54 3.80 5.85 -0.99 -0.82 115.31 122.24 2bli h LEU 32 Ca 0.16 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2bli h LEU 32 Cb 0.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2bli h LEU 32 CO -0.03 0.07 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.69 2bli h PHE 33 N -0.02 0.06 0.08 1.25 0.04 -0.98 0.11 116.94 117.48 2bli h PHE 33 Ca 0.01 -0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2bli h PHE 33 Cb 0.05 -0.02 0.02 0.00 2.20 0.00 0.00 35.95 38.20 2bli h PHE 33 CO -0.06 0.25 -0.93 0.87 -0.60 0.00 0.00 178.31 177.84 2bli h LYS 34 N 0.06 0.49 0.01 1.51 1.79 -0.97 -2.92 116.57 116.53 2bli h LYS 34 Ca 0.01 -0.63 -0.19 0.00 -2.18 0.00 0.00 60.65 57.66 2bli h LYS 34 Cb 0.37 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2bli h LYS 34 CO 0.03 1.26 -0.88 0.77 -1.08 0.00 0.00 179.45 179.55 2bli h SER 35 N 0.01 0.10 -2.19 0.86 0.02 -0.99 -3.39 113.55 107.97 2bli h SER 35 Ca -0.14 -0.09 -0.58 0.00 -0.84 0.00 0.00 61.79 60.15 2bli h SER 35 Cb 1.65 -0.03 -0.39 0.00 0.14 0.00 0.00 62.40 63.77 2bli h SER 35 CO 0.18 0.92 -1.00 1.41 -1.14 0.00 0.00 176.83 177.21 2bli n HIS 36 N -3.57 -0.07 -0.09 3.45 8.25 0.36 -4.98 115.22 118.57 2bli n HIS 36 Ca -0.02 -3.56 0.26 0.00 -0.26 0.00 0.00 57.72 54.15 2bli n HIS 36 Cb 0.82 -0.17 0.67 0.00 1.12 0.00 0.00 29.99 32.44 2bli n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2bli h PRO 37 N 4.64 0.00 -0.04 -0.41 0.11 -1.70 -0.85 132.00 133.75 2bli h PRO 37 Ca 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 2bli h PRO 37 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2bli h PRO 37 CO 0.47 0.00 -0.08 1.05 -0.21 0.00 0.00 178.00 179.24 2bli h GLU 38 N 0.00 0.06 0.00 1.05 9.09 -1.92 -2.36 114.58 120.50 2bli h GLU 38 Ca 0.36 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.74 2bli h GLU 38 Cb 1.85 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.93 2bli h GLU 38 CO -0.00 0.14 -0.13 1.79 0.05 0.00 0.00 179.01 180.86 2bli h THR 39 N 0.06 0.89 0.00 -1.06 1.35 -1.49 -2.04 112.91 110.62 2bli h THR 39 Ca 0.01 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 2bli h THR 39 Cb 0.18 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2bli h THR 39 CO 0.01 0.13 -0.05 0.25 -0.25 0.00 0.00 175.52 175.61 2bli h LEU 40 N 0.00 0.00 -2.87 3.87 5.85 -1.60 -2.17 115.31 118.39 2bli h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bli h LEU 40 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2bli h LEU 40 CO 0.02 0.05 0.00 -0.33 -0.34 0.00 0.00 178.44 177.84 2bli h GLU 41 N 0.00 0.00 -0.00 1.25 4.39 -1.51 -1.79 114.58 116.92 2bli h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2bli h GLU 41 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2bli h GLU 41 CO 0.01 0.00 -0.04 1.63 -1.16 0.00 0.00 179.01 179.45 2bli n LYS 42 N -3.03 0.06 -3.76 2.33 4.76 -0.81 -4.60 118.16 113.11 2bli n LYS 42 Ca -0.03 -0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.04 2bli n LYS 42 Cb 0.07 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.65 2bli n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2bli s PHE 43 N -2.95 3.54 -0.73 2.13 0.40 -0.67 -4.92 117.98 114.78 2bli s PHE 43 Ca 0.16 -2.28 0.15 0.00 -0.60 0.00 0.00 56.93 54.36 2bli s PHE 43 Cb 0.19 -3.15 0.66 0.00 0.51 0.00 0.00 43.02 41.23 2bli s PHE 43 CO 0.53 -0.96 1.46 -0.25 0.70 0.00 0.00 175.22 176.71 2bli n ASP 44 N 4.64 0.27 0.01 1.36 8.00 -1.26 -0.59 116.55 128.98 2bli n ASP 44 Ca -0.04 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.16 2bli n ASP 44 Cb 0.42 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 40.90 2bli n ASP 44 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2bli n ARG 45 N -1.82 0.16 0.00 -1.24 0.63 -1.26 -4.40 116.66 108.74 2bli n ARG 45 Ca 0.02 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2bli n ARG 45 Cb 0.13 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.49 2bli n ARG 45 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2bli n PHE 46 N -1.75 0.00 0.09 -0.14 3.72 -0.67 -4.76 117.46 113.96 2bli n PHE 46 Ca 0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.48 2bli n PHE 46 Cb 0.39 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.20 2bli n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2bli n LYS 47 N -0.78 0.07 0.08 -1.08 2.85 0.25 -1.23 118.16 118.32 2bli n LYS 47 Ca 0.00 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.89 2bli n LYS 47 Cb 0.00 -1.85 0.07 0.00 -0.65 0.00 0.00 35.03 32.60 2bli n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2bli h HIS 48 N 0.00 0.00 -2.55 5.58 2.07 -1.85 -3.46 115.15 114.93 2bli h HIS 48 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 2bli h HIS 48 Cb 0.27 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.27 2bli h HIS 48 CO 0.00 0.00 1.11 -0.51 -3.07 0.00 0.00 177.93 175.46 2bli s LEU 49 N -4.84 4.38 -0.20 6.12 1.43 -0.36 -4.89 118.68 120.32 2bli s LEU 49 Ca 0.03 2.55 0.16 0.00 -1.03 0.00 0.00 54.13 55.84 2bli s LEU 49 Cb 0.11 -3.55 -0.24 0.00 0.03 0.00 0.00 46.19 42.54 2bli s LEU 49 CO 0.76 -0.97 0.06 0.29 0.23 0.00 0.00 176.35 176.72 2bli n LYS 50 N 6.44 0.68 -4.42 1.70 5.02 -1.26 -5.01 118.16 121.30 2bli n LYS 50 Ca 0.18 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 2bli n LYS 50 Cb 0.41 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 2bli n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2bli s THR 51 N -2.50 1.42 0.34 -0.18 -4.23 -1.26 -5.03 115.64 104.21 2bli s THR 51 Ca -0.13 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.37 2bli s THR 51 Cb 0.06 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.52 2bli s THR 51 CO 0.80 -0.22 1.87 -0.08 -0.54 0.00 0.00 174.62 176.45 2bli h GLU 52 N 2.26 0.44 -0.81 3.99 4.81 -1.99 -2.05 114.58 121.23 2bli h GLU 52 Ca -0.40 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2bli h GLU 52 Cb 1.23 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 2bli h GLU 52 CO 0.68 0.52 0.45 0.00 -0.73 0.00 0.00 179.01 179.93 2bli h ALA 53 N 1.52 1.04 -0.19 2.92 0.00 -1.99 0.26 119.26 122.82 2bli h ALA 53 Ca 0.09 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2bli h ALA 53 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bli h ALA 53 CO 0.02 0.55 -0.47 0.93 0.00 0.00 0.00 179.25 180.28 2bli h GLU 54 N 1.13 0.49 -0.41 0.00 5.08 -1.85 -2.49 114.58 116.53 2bli h GLU 54 Ca 0.29 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2bli h GLU 54 Cb 0.03 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2bli h GLU 54 CO -0.05 0.86 0.08 0.52 -1.00 0.00 0.00 179.01 179.42 2bli h MET 55 N 0.39 0.67 0.00 2.33 2.86 -0.79 -2.30 114.93 118.09 2bli h MET 55 Ca 0.02 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2bli h MET 55 Cb 0.97 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2bli h MET 55 CO 0.09 0.71 -0.20 -0.22 1.06 0.00 0.00 176.91 178.35 2bli h LYS 56 N 0.53 0.00 -0.00 1.72 3.64 -0.88 -2.69 116.57 118.89 2bli h LYS 56 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2bli h LYS 56 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2bli h LYS 56 CO 0.01 0.20 -0.47 0.00 -2.27 0.00 0.00 179.45 176.92 2bli n ALA 57 N -2.28 3.49 -2.42 5.00 0.00 -0.95 -4.89 120.51 118.47 2bli n ALA 57 Ca -0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 2bli n ALA 57 Cb 0.33 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 2bli n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bli s SER 58 N -2.88 6.75 0.20 0.00 0.15 -0.89 -4.91 113.70 112.12 2bli s SER 58 Ca 0.14 1.37 -0.06 0.00 0.70 0.00 0.00 55.95 58.10 2bli s SER 58 Cb 0.18 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 62.09 2bli s SER 58 CO 0.67 -0.98 1.60 -0.08 1.20 0.00 0.00 173.24 175.65 2bli h GLU 59 N 8.97 0.83 -0.50 5.44 4.57 -1.90 -2.74 114.58 129.25 2bli h GLU 59 Ca -0.26 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 57.51 2bli h GLU 59 Cb 1.10 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 2bli h GLU 59 CO 1.01 0.98 0.04 -0.44 -1.18 0.00 0.00 179.01 179.42 2bli h ASP 60 N 0.72 0.77 -0.21 1.04 3.32 -1.97 -1.74 116.42 118.35 2bli h ASP 60 Ca 0.10 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 2bli h ASP 60 Cb 0.76 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2bli h ASP 60 CO 0.06 0.81 -0.37 0.25 -1.72 0.00 0.00 179.24 178.28 2bli h LEU 61 N 0.77 0.78 -0.57 1.55 5.85 -1.88 -1.67 115.31 120.14 2bli h LEU 61 Ca 0.16 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2bli h LEU 61 Cb 0.40 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2bli h LEU 61 CO 0.01 1.07 0.29 0.50 -0.34 0.00 0.00 178.44 179.97 2bli h LYS 62 N 0.61 0.82 -0.74 1.25 3.64 -1.18 -0.88 116.57 120.09 2bli h LYS 62 Ca 0.06 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2bli h LYS 62 Cb 0.91 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2bli h LYS 62 CO 0.08 0.65 0.21 0.87 -2.27 0.00 0.00 179.45 179.00 2bli h LYS 63 N 0.78 1.16 -0.58 1.90 1.57 -1.14 -2.46 116.57 117.79 2bli h LYS 63 Ca 0.20 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2bli h LYS 63 Cb 0.09 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2bli h LYS 63 CO -0.03 1.00 0.25 1.25 -0.57 0.00 0.00 179.45 181.34 2bli h HIS 64 N 1.11 0.87 -0.88 -1.35 2.76 -0.95 -1.93 115.15 114.78 2bli h HIS 64 Ca 0.24 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 2bli h HIS 64 Cb 0.33 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 2bli h HIS 64 CO 0.03 0.70 0.57 0.78 -1.30 0.00 0.00 177.93 178.71 2bli h GLY 65 N 0.80 1.28 0.90 5.26 0.00 -0.86 -0.68 103.07 109.77 2bli h GLY 65 Ca 0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2bli h GLY 65 CO -0.02 0.38 0.05 -2.08 0.00 0.00 0.00 176.54 174.88 2bli h VAL 66 N 1.12 1.23 -0.43 4.60 2.07 -1.18 -1.14 116.25 122.53 2bli h VAL 66 Ca 0.35 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2bli h VAL 66 Cb -0.02 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2bli h VAL 66 CO -0.11 0.27 0.22 0.74 0.02 0.00 0.00 177.57 178.71 2bli h THR 67 N 0.38 0.98 0.01 2.57 2.02 -0.92 -0.65 112.91 117.29 2bli h THR 67 Ca 0.10 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2bli h THR 67 Cb 0.35 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2bli h THR 67 CO 0.01 0.08 -0.00 0.58 0.37 0.00 0.00 175.52 176.55 2bli h VAL 68 N 0.44 1.18 -0.06 3.16 2.07 -1.03 -2.43 116.25 119.57 2bli h VAL 68 Ca 0.18 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 2bli h VAL 68 Cb 0.08 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2bli h VAL 68 CO -0.12 0.14 -0.28 -0.07 0.02 0.00 0.00 177.57 177.26 2bli h LEU 69 N -0.24 0.11 -0.50 2.57 3.38 -1.09 -1.19 115.31 118.35 2bli h LEU 69 Ca -0.00 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2bli h LEU 69 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2bli h LEU 69 CO 0.00 0.40 -0.21 0.74 0.09 0.00 0.00 178.44 179.47 2bli h THR 70 N 0.10 1.27 -0.50 0.22 2.02 -1.07 0.43 112.91 115.38 2bli h THR 70 Ca 0.02 -1.37 -0.10 0.00 0.77 0.00 0.00 66.41 65.72 2bli h THR 70 Cb 0.56 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2bli h THR 70 CO 0.04 0.48 -0.08 0.00 0.37 0.00 0.00 175.52 176.32 2bli h ALA 71 N 0.88 0.68 -0.53 6.16 0.00 -1.03 -2.19 119.26 123.23 2bli h ALA 71 Ca 0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2bli h ALA 71 Cb 0.79 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2bli h ALA 71 CO 0.07 0.56 -0.03 1.25 0.00 0.00 0.00 179.25 181.10 2bli h LEU 72 N 0.79 0.94 -0.96 0.00 5.85 -1.09 -2.57 115.31 118.28 2bli h LEU 72 Ca 0.13 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2bli h LEU 72 Cb 0.63 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2bli h LEU 72 CO 0.04 1.04 0.59 1.23 -0.34 0.00 0.00 178.44 180.99 2bli h GLY 73 N 0.83 1.38 1.07 3.75 0.00 -0.79 -0.85 103.07 108.45 2bli h GLY 73 Ca 0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2bli h GLY 73 CO 0.03 0.55 0.34 0.00 0.00 0.00 0.00 176.54 177.46 2bli h ALA 74 N 1.32 1.09 -0.07 3.60 0.00 -1.20 -1.42 119.26 122.58 2bli h ALA 74 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2bli h ALA 74 Cb -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2bli h ALA 74 CO -0.07 0.66 0.01 0.82 0.00 0.00 0.00 179.25 180.67 2bli h ILE 75 N 1.16 1.23 -0.81 0.00 2.04 -1.01 -3.08 117.51 117.05 2bli h ILE 75 Ca 0.27 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.44 2bli h ILE 75 Cb 0.19 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2bli h ILE 75 CO -0.03 0.20 0.53 -0.07 0.00 0.00 0.00 178.15 178.78 2bli h LEU 76 N -0.15 0.88 -0.79 1.44 3.38 -0.97 -1.75 115.31 117.33 2bli h LEU 76 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2bli h LEU 76 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2bli h LEU 76 CO 0.00 0.61 0.00 0.29 0.09 0.00 0.00 178.44 179.43 2bli n LYS 77 N -4.44 0.17 0.00 1.13 5.02 -0.55 -1.62 118.16 117.87 2bli n LYS 77 Ca 0.10 0.46 0.14 0.00 -2.02 0.00 0.00 58.31 56.99 2bli n LYS 77 Cb 0.09 -1.86 0.59 0.00 -0.02 0.00 0.00 35.03 33.83 2bli n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2bli n LYS 78 N -2.18 0.01 -3.89 1.97 4.76 -0.66 -4.95 118.16 113.23 2bli n LYS 78 Ca 0.01 -0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.19 2bli n LYS 78 Cb 0.18 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.88 2bli n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2bli n LYS 79 N -1.49 -4.43 0.00 1.97 5.02 -0.64 -2.00 118.16 116.59 2bli n LYS 79 Ca 0.07 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2bli n LYS 79 Cb 0.34 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 2bli n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bli n GLY 80 N -1.70 3.40 2.68 0.72 0.00 -1.26 -4.96 105.19 104.08 2bli n GLY 80 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2bli n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bli n HIS 81 N -2.00 2.63 -0.82 1.61 8.25 -0.85 -4.68 115.22 119.37 2bli n HIS 81 Ca 0.00 -2.67 0.08 0.00 -0.26 0.00 0.00 57.72 54.87 2bli n HIS 81 Cb 0.00 -1.51 0.22 0.00 1.12 0.00 0.00 29.99 29.82 2bli n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2bli n HIS 82 N 1.26 0.70 -0.15 4.41 1.44 -1.26 -4.77 115.22 116.85 2bli n HIS 82 Ca 0.47 -0.81 -0.07 0.00 -2.01 0.00 0.00 57.72 55.30 2bli n HIS 82 Cb 0.28 -0.23 -0.01 0.00 0.12 0.00 0.00 29.99 30.15 2bli n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2bli h GLU 83 N 1.54 -0.21 -0.93 -1.40 3.07 -2.00 -1.02 114.58 113.63 2bli h GLU 83 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2bli h GLU 83 Cb 1.23 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 2bli h GLU 83 CO 0.15 -0.14 0.56 0.00 -1.40 0.00 0.00 179.01 178.18 2bli h ALA 84 N 0.86 1.23 -0.14 3.43 0.00 -2.01 -2.78 119.26 119.85 2bli h ALA 84 Ca 0.19 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2bli h ALA 84 Cb 0.54 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2bli h ALA 84 CO -0.58 0.66 -0.46 0.93 0.00 0.00 0.00 179.25 179.79 2bli h GLU 85 N 1.29 0.35 -0.00 0.00 3.07 -1.73 -3.28 114.58 114.27 2bli h GLU 85 Ca 0.33 -0.19 -0.16 0.00 -0.50 0.00 0.00 59.36 58.85 2bli h GLU 85 Cb -0.05 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2bli h GLU 85 CO -0.06 0.74 -0.77 -0.07 -1.40 0.00 0.00 179.01 177.45 2bli h LEU 86 N 0.28 0.01 0.12 1.33 3.38 -0.95 -3.35 115.31 116.13 2bli h LEU 86 Ca 0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2bli h LEU 86 Cb 0.92 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2bli h LEU 86 CO 0.08 0.77 -0.35 0.11 0.09 0.00 0.00 178.44 179.14 2bli h LYS 87 N 0.00 -0.55 0.00 1.13 1.57 -1.57 0.21 116.57 117.36 2bli h LYS 87 Ca -0.01 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2bli h LYS 87 Cb 1.36 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 2bli h LYS 87 CO 0.10 -0.37 -0.34 -1.00 -0.57 0.00 0.00 179.45 177.27 2bli h PRO 88 N -0.57 0.00 -0.28 3.15 0.13 -1.77 -1.63 132.00 131.03 2bli h PRO 88 Ca 0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 2bli h PRO 88 Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2bli h PRO 88 CO -0.21 0.34 -0.31 1.25 -0.23 0.00 0.00 178.00 178.84 2bli h LEU 89 N 0.00 0.76 -0.56 1.56 5.85 -1.59 -2.45 115.31 118.89 2bli h LEU 89 Ca -0.00 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 2bli h LEU 89 Cb 0.62 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2bli h LEU 89 CO 0.04 1.09 0.06 0.00 -0.34 0.00 0.00 178.44 179.30 2bli h ALA 90 N 0.69 0.74 -0.17 1.25 0.00 -0.40 -2.23 119.26 119.15 2bli h ALA 90 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2bli h ALA 90 Cb 0.89 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2bli h ALA 90 CO 0.08 0.51 0.07 0.37 0.00 0.00 0.00 179.25 180.27 2bli h GLN 91 N 0.83 0.25 -0.55 0.00 4.15 -1.26 -1.31 115.11 117.22 2bli h GLN 91 Ca 0.17 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.45 2bli h GLN 91 Cb 0.45 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 2bli h GLN 91 CO 0.02 0.33 -0.01 0.66 -1.93 0.00 0.00 178.83 177.89 2bli h SER 92 N 0.12 0.93 1.49 -0.69 4.64 -1.42 -0.95 113.55 117.66 2bli h SER 92 Ca 0.06 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 2bli h SER 92 Cb 0.17 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2bli h SER 92 CO -0.00 0.99 -0.24 0.45 -0.87 0.00 0.00 176.83 177.15 2bli h HIS 93 N 0.88 0.00 0.10 4.77 3.86 -1.34 -0.72 115.15 122.69 2bli h HIS 93 Ca 0.16 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.02 2bli h HIS 93 Cb 0.53 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 2bli h HIS 93 CO 0.03 0.24 -1.97 0.00 0.86 0.00 0.00 177.93 177.09 2bli n ALA 94 N -2.17 1.02 -0.05 2.45 0.00 -0.50 -0.55 120.51 120.70 2bli n ALA 94 Ca 0.02 -0.65 -0.18 0.00 0.00 0.00 0.00 53.44 52.63 2bli n ALA 94 Cb 0.57 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 2bli n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2bli n THR 95 N -3.39 1.63 -0.10 0.00 -1.04 -0.37 -4.18 114.28 106.83 2bli n THR 95 Ca -0.30 -0.66 -0.16 0.00 -2.04 0.00 0.00 64.05 60.90 2bli n THR 95 Cb 1.05 -1.45 -0.06 0.00 -1.82 0.00 0.00 70.33 68.05 2bli n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2bli n LYS 96 N -3.30 0.54 0.08 -2.82 4.81 -0.44 -4.68 118.16 112.35 2bli n LYS 96 Ca -0.35 0.32 -0.02 0.00 -0.87 0.00 0.00 58.31 57.39 2bli n LYS 96 Cb 1.04 -1.53 -0.05 0.00 0.02 0.00 0.00 35.03 34.50 2bli n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2bli h HIS 97 N -1.00 0.00 -5.61 5.64 3.86 -1.37 -3.49 115.15 113.18 2bli h HIS 97 Ca -0.25 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.76 2bli h HIS 97 Cb 1.13 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.70 2bli h HIS 97 CO -0.23 0.71 -0.59 1.63 0.86 0.00 0.00 177.93 180.31 2bli n LYS 98 N -3.19 -1.73 -3.50 2.45 5.02 -0.38 -4.98 118.16 111.86 2bli n LYS 98 Ca -0.02 1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.87 2bli n LYS 98 Cb 0.84 -5.36 -0.10 0.00 -0.02 0.00 0.00 35.03 30.39 2bli n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bli s ILE 99 N -3.24 5.11 0.70 -0.18 -1.09 0.28 -5.02 121.20 117.77 2bli s ILE 99 Ca 0.28 -0.61 -0.15 0.00 -2.23 0.00 0.00 60.65 57.94 2bli s ILE 99 Cb -0.05 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 2bli s ILE 99 CO 0.77 -0.23 1.16 -2.16 -1.23 0.00 0.00 174.94 173.25 2bli s PRO 100 N 1.66 2.40 0.42 2.79 0.04 -1.26 -4.83 135.00 136.21 2bli s PRO 100 Ca 0.05 1.60 0.12 0.00 0.04 0.00 0.00 61.00 62.80 2bli s PRO 100 Cb -0.19 -1.88 0.97 0.00 0.04 0.00 0.00 34.50 33.44 2bli s PRO 100 CO 0.09 -1.60 1.99 0.82 0.04 0.00 0.00 177.00 178.34 2bli h ILE 101 N -0.18 0.94 -0.83 0.56 1.08 -1.93 -1.37 117.51 115.78 2bli h ILE 101 Ca -0.47 -0.16 0.10 0.00 -0.39 0.00 0.00 64.86 63.93 2bli h ILE 101 Cb 1.27 0.42 -0.06 0.00 -3.07 0.00 0.00 36.82 35.39 2bli h ILE 101 CO 0.51 0.09 0.54 0.50 -0.69 0.00 0.00 178.15 179.10 2bli h LYS 102 N 0.48 0.76 0.00 2.37 3.64 -1.92 0.06 116.57 121.96 2bli h LYS 102 Ca 0.26 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2bli h LYS 102 Cb 0.41 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2bli h LYS 102 CO -0.08 0.51 -0.42 1.88 -2.27 0.00 0.00 179.45 179.07 2bli h TYR 103 N 0.79 0.00 0.00 1.91 -1.99 -1.60 -1.72 116.97 114.36 2bli h TYR 103 Ca 0.39 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.98 2bli h TYR 103 Cb 0.44 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 2bli h TYR 103 CO -0.00 0.42 -0.65 -0.07 -0.00 0.00 0.00 178.16 177.86 2bli h LEU 104 N 0.00 0.00 -0.35 3.88 3.38 -1.00 -1.96 115.31 119.25 2bli h LEU 104 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2bli h LEU 104 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2bli h LEU 104 CO 0.05 0.65 -0.29 -0.33 0.09 0.00 0.00 178.44 178.62 2bli h GLU 105 N 0.00 0.82 -0.58 1.13 5.08 -0.77 -2.33 114.58 117.94 2bli h GLU 105 Ca -0.01 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2bli h GLU 105 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2bli h GLU 105 CO 0.08 1.05 0.30 0.74 -1.00 0.00 0.00 179.01 180.18 2bli h PHE 106 N 0.61 0.81 0.00 4.33 0.04 -1.09 -2.28 116.94 119.36 2bli h PHE 106 Ca 0.06 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 2bli h PHE 106 Cb 0.87 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2bli h PHE 106 CO 0.06 0.61 -0.36 0.97 -0.60 0.00 0.00 178.31 178.99 2bli h ILE 107 N 0.78 0.95 -0.65 -0.55 2.10 -1.33 -2.24 117.51 116.56 2bli h ILE 107 Ca 0.20 -1.42 -0.07 0.00 1.08 0.00 0.00 64.86 64.65 2bli h ILE 107 Cb 0.08 1.84 -0.03 0.00 -1.09 0.00 0.00 36.82 37.63 2bli h ILE 107 CO -0.03 0.36 0.12 0.28 -1.08 0.00 0.00 178.15 177.79 2bli h SER 108 N 0.00 1.01 -0.57 2.19 0.02 -1.02 -0.37 113.55 114.82 2bli h SER 108 Ca -0.00 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 2bli h SER 108 Cb 0.81 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2bli h SER 108 CO 0.05 1.00 0.18 -0.08 -1.14 0.00 0.00 176.83 176.84 2bli h GLU 109 N 1.00 0.88 -0.70 3.45 4.81 -1.03 -1.90 114.58 121.09 2bli h GLU 109 Ca 0.20 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2bli h GLU 109 Cb 0.41 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2bli h GLU 109 CO 0.01 0.79 0.17 0.00 -0.73 0.00 0.00 179.01 179.25 2bli h ALA 110 N 1.05 0.97 -0.24 2.92 0.00 -0.95 -1.64 119.26 121.36 2bli h ALA 110 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2bli h ALA 110 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2bli h ALA 110 CO -0.01 0.66 0.07 0.82 0.00 0.00 0.00 179.25 180.79 2bli h ILE 111 N 1.06 1.21 -0.76 0.00 2.04 -0.86 -1.77 117.51 118.43 2bli h ILE 111 Ca 0.22 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 2bli h ILE 111 Cb 0.37 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2bli h ILE 111 CO 0.00 0.21 0.33 0.40 0.00 0.00 0.00 178.15 179.09 2bli h ILE 112 N 0.22 1.25 -0.51 -0.67 2.04 -1.23 -1.52 117.51 117.09 2bli h ILE 112 Ca 0.08 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 2bli h ILE 112 Cb 0.26 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2bli h ILE 112 CO -0.00 0.31 0.05 -0.74 0.00 0.00 0.00 178.15 177.77 2bli h HIS 113 N 1.09 0.93 -0.38 1.37 2.76 -1.15 -1.48 115.15 118.29 2bli h HIS 113 Ca 0.26 -0.14 -0.13 0.00 -2.20 0.00 0.00 60.37 58.15 2bli h HIS 113 Cb 0.16 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2bli h HIS 113 CO 0.02 0.85 -0.28 0.28 -1.30 0.00 0.00 177.93 177.50 2bli h VAL 114 N 0.74 1.28 -0.59 5.26 2.07 -1.10 -1.93 116.25 121.98 2bli h VAL 114 Ca 0.15 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 2bli h VAL 114 Cb 0.45 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2bli h VAL 114 CO 0.02 0.48 0.07 -0.07 0.02 0.00 0.00 177.57 178.09 2bli h LEU 115 N 0.68 0.93 -0.83 2.57 3.38 -1.21 -0.38 115.31 120.44 2bli h LEU 115 Ca 0.07 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2bli h LEU 115 Cb 0.86 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2bli h LEU 115 CO 0.08 0.94 0.11 -0.74 0.09 0.00 0.00 178.44 178.92 2bli h HIS 116 N 0.91 1.03 -0.10 1.13 2.76 -1.17 0.68 115.15 120.39 2bli h HIS 116 Ca 0.18 -0.13 -0.15 0.00 -2.20 0.00 0.00 60.37 58.07 2bli h HIS 116 Cb 0.43 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 29.11 2bli h HIS 116 CO 0.03 0.87 -0.53 0.77 -1.30 0.00 0.00 177.93 177.76 2bli h SER 117 N 0.93 0.65 1.16 3.26 0.02 -0.98 -3.25 113.55 115.33 2bli h SER 117 Ca 0.19 -0.65 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2bli h SER 117 Cb 0.39 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2bli h SER 117 CO 0.01 1.19 -0.86 0.03 -1.14 0.00 0.00 176.83 176.05 2bli h ARG 118 N 0.15 0.00 -1.32 3.45 3.08 -1.05 -3.41 114.38 115.28 2bli h ARG 118 Ca -0.04 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.57 2bli h ARG 118 Cb 1.18 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.83 2bli h ARG 118 CO 0.11 0.08 -1.05 0.72 -1.07 0.00 0.00 179.97 178.75 2bli n HIS 119 N -2.82 1.76 -0.25 3.04 8.25 0.23 -4.94 115.22 120.49 2bli n HIS 119 Ca -0.01 -3.06 0.13 0.00 -0.26 0.00 0.00 57.72 54.52 2bli n HIS 119 Cb 0.60 -0.32 0.41 0.00 1.12 0.00 0.00 29.99 31.81 2bli n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2bli h PRO 120 N 2.89 0.59 0.00 -0.41 0.13 -1.71 -0.10 132.00 133.39 2bli h PRO 120 Ca 0.04 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2bli h PRO 120 Cb 1.05 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2bli h PRO 120 CO 0.61 0.39 -0.04 0.78 -0.23 0.00 0.00 178.00 179.51 2bli h GLY 121 N 0.61 0.00 -0.38 1.56 0.00 -1.92 -2.97 103.07 99.97 2bli h GLY 121 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2bli h GLY 121 CO -0.19 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.05 2bli n ASN 122 N -3.15 2.37 -3.07 0.19 3.02 -0.42 -4.73 115.26 109.48 2bli n ASN 122 Ca 0.00 -2.21 -0.19 0.00 -0.03 0.00 0.00 54.58 52.15 2bli n ASN 122 Cb 0.32 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 2bli n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2bli n PHE 123 N -0.40 1.01 -1.09 3.10 7.35 -0.18 -4.68 117.46 122.57 2bli n PHE 123 Ca 0.06 -3.71 -0.06 0.00 -0.76 0.00 0.00 57.45 52.98 2bli n PHE 123 Cb 0.38 -0.42 0.05 0.00 0.35 0.00 0.00 39.48 39.84 2bli n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2bli n GLY 124 N 0.13 -1.46 0.20 7.13 0.00 -1.25 -4.65 105.19 105.29 2bli n GLY 124 Ca 0.24 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 2bli n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bli h ALA 125 N -1.99 0.62 -0.45 4.61 0.00 -1.98 -0.57 119.26 119.49 2bli h ALA 125 Ca -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2bli h ALA 125 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2bli h ALA 125 CO 0.06 -0.16 0.12 -0.44 0.00 0.00 0.00 179.25 178.84 2bli h ASP 126 N 0.42 0.67 -0.52 0.00 3.32 -1.99 -1.37 116.42 116.96 2bli h ASP 126 Ca 0.23 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2bli h ASP 126 Cb 0.19 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2bli h ASP 126 CO -0.19 0.72 0.11 0.00 -1.72 0.00 0.00 179.24 178.16 2bli h ALA 127 N 0.98 1.13 -0.36 3.45 0.00 -1.83 -1.53 119.26 121.09 2bli h ALA 127 Ca 0.14 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2bli h ALA 127 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2bli h ALA 127 CO -0.00 0.58 -0.22 0.37 0.00 0.00 0.00 179.25 179.98 2bli h GLN 128 N 0.85 0.70 -0.72 0.00 4.15 -0.88 -1.19 115.11 118.01 2bli h GLN 128 Ca 0.18 -0.27 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 2bli h GLN 128 Cb 0.35 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2bli h GLN 128 CO 0.00 0.86 0.18 0.78 -1.93 0.00 0.00 178.83 178.72 2bli h GLY 129 N 0.98 1.23 0.94 2.39 0.00 -0.80 0.10 103.07 107.92 2bli h GLY 129 Ca 0.09 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 2bli h GLY 129 CO 0.05 0.71 -0.04 0.00 0.00 0.00 0.00 176.54 177.26 2bli h ALA 130 N 1.11 0.51 -0.66 3.60 0.00 -1.01 -1.53 119.26 121.28 2bli h ALA 130 Ca 0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2bli h ALA 130 Cb 0.36 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2bli h ALA 130 CO 0.00 0.32 0.17 1.98 0.00 0.00 0.00 179.25 181.72 2bli h MET 131 N 0.50 1.04 -0.73 0.00 -1.53 -1.00 -0.24 114.93 112.97 2bli h MET 131 Ca 0.10 -0.24 -0.00 0.00 -3.44 0.00 0.00 59.70 56.12 2bli h MET 131 Cb 0.53 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.40 2bli h MET 131 CO 0.03 0.93 0.45 -0.97 0.14 0.00 0.00 176.91 177.48 2bli h ASN 132 N 0.97 0.86 -0.48 1.39 -1.24 -0.85 -0.68 115.58 115.55 2bli h ASN 132 Ca 0.21 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 2bli h ASN 132 Cb 0.35 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 2bli h ASN 132 CO -0.00 0.66 0.22 0.50 -1.29 0.00 0.00 177.43 177.52 2bli h LYS 133 N 0.99 0.71 -0.73 6.67 3.64 -0.84 0.22 116.57 127.22 2bli h LYS 133 Ca 0.26 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2bli h LYS 133 Cb -0.05 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2bli h LYS 133 CO -0.05 0.61 0.29 0.00 -2.27 0.00 0.00 179.45 178.04 2bli h ALA 134 N 1.06 1.14 -0.04 5.00 0.00 -0.60 -1.11 119.26 124.71 2bli h ALA 134 Ca 0.16 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2bli h ALA 134 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bli h ALA 134 CO -0.02 0.62 -0.72 -0.07 0.00 0.00 0.00 179.25 179.06 2bli h LEU 135 N 1.06 0.27 -0.53 0.00 3.38 -0.83 -2.29 115.31 116.37 2bli h LEU 135 Ca 0.25 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2bli h LEU 135 Cb 0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2bli h LEU 135 CO -0.02 0.90 -0.16 -0.33 0.09 0.00 0.00 178.44 178.91 2bli h GLU 136 N 0.15 1.02 -0.28 1.13 5.08 -0.63 -0.90 114.58 120.15 2bli h GLU 136 Ca -0.02 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2bli h GLU 136 Cb 1.28 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2bli h GLU 136 CO 0.11 1.10 0.18 1.25 -1.00 0.00 0.00 179.01 180.65 2bli h LEU 137 N 0.90 0.32 -0.16 1.33 5.85 -1.11 0.80 115.31 123.23 2bli h LEU 137 Ca 0.13 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2bli h LEU 137 Cb 0.74 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2bli h LEU 137 CO 0.06 0.23 -0.04 0.15 -0.34 0.00 0.00 178.44 178.50 2bli h PHE 138 N 0.37 -0.08 -0.55 1.25 3.57 -1.23 -1.14 116.94 119.12 2bli h PHE 138 Ca 0.10 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2bli h PHE 138 Cb -0.04 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2bli h PHE 138 CO -0.06 -0.07 0.13 0.00 -2.23 0.00 0.00 178.31 176.09 2bli h ARG 139 N 0.00 0.85 -0.51 1.11 3.08 -0.82 -1.50 114.38 116.58 2bli h ARG 139 Ca 0.08 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2bli h ARG 139 Cb 0.12 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2bli h ARG 139 CO -0.17 0.76 0.00 -0.22 -1.07 0.00 0.00 179.97 179.28 2bli h LYS 140 N 0.82 0.91 -0.11 0.04 3.64 -0.48 -1.03 116.57 120.36 2bli h LYS 140 Ca 0.18 -0.29 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 2bli h LYS 140 Cb 0.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2bli h LYS 140 CO -0.00 0.93 -0.62 -0.44 -2.27 0.00 0.00 179.45 177.05 2bli h ASP 141 N 0.77 0.44 -0.15 4.20 3.32 -1.02 -2.13 116.42 121.84 2bli h ASP 141 Ca 0.15 -0.26 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 2bli h ASP 141 Cb 0.52 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2bli h ASP 141 CO 0.03 0.95 -0.43 0.40 -1.72 0.00 0.00 179.24 178.47 2bli h ILE 142 N 0.28 1.29 -0.80 0.35 1.08 -1.20 -2.18 117.51 116.33 2bli h ILE 142 Ca -0.01 -1.61 -0.03 0.00 -0.39 0.00 0.00 64.86 62.82 2bli h ILE 142 Cb 1.16 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 36.41 2bli h ILE 142 CO 0.11 0.52 0.38 0.00 -0.69 0.00 0.00 178.15 178.46 2bli h ALA 143 N 0.95 1.04 -0.68 1.87 0.00 -1.04 0.99 119.26 122.39 2bli h ALA 143 Ca 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2bli h ALA 143 Cb 0.97 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2bli h ALA 143 CO 0.09 0.61 0.18 0.00 0.00 0.00 0.00 179.25 180.13 2bli h ALA 144 N 1.20 0.89 -0.52 0.00 0.00 -1.21 -2.36 119.26 117.27 2bli h ALA 144 Ca 0.27 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2bli h ALA 144 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2bli h ALA 144 CO -0.03 0.60 -0.09 0.87 0.00 0.00 0.00 179.25 180.60 2bli h LYS 145 N 1.01 0.97 -0.57 0.00 6.56 -0.92 -2.66 116.57 120.95 2bli h LYS 145 Ca 0.21 -0.35 0.09 0.00 -1.06 0.00 0.00 60.65 59.55 2bli h LYS 145 Cb 0.35 -0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 31.87 2bli h LYS 145 CO -0.00 1.02 0.17 1.88 -2.06 0.00 0.00 179.45 180.47 2bli h TYR 146 N 0.83 0.29 -0.17 -1.35 -1.99 -0.53 -0.74 116.97 113.32 2bli h TYR 146 Ca 0.14 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.90 2bli h TYR 146 Cb 0.64 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 2bli h TYR 146 CO 0.05 0.05 0.10 -0.22 -0.00 0.00 0.00 178.16 178.13 2bli h LYS 147 N 0.33 0.21 -0.25 4.88 3.64 -1.23 -0.66 116.57 123.48 2bli h LYS 147 Ca 0.29 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2bli h LYS 147 Cb 0.38 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2bli h LYS 147 CO -0.33 0.14 0.15 0.93 -2.27 0.00 0.00 179.45 178.07 2bli h GLU 148 N 0.21 0.34 -0.00 1.90 5.08 -1.04 -2.07 114.58 119.00 2bli h GLU 148 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2bli h GLU 148 Cb -0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2bli h GLU 148 CO -0.03 0.24 -0.13 1.28 -1.00 0.00 0.00 179.01 179.37 2bli n LEU 149 N -4.48 0.37 0.00 1.33 4.77 -0.35 -4.94 117.00 113.71 2bli n LEU 149 Ca 0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2bli n LEU 149 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2bli n LEU 149 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2bli n GLY 150 N 1.34 0.81 3.31 -0.72 0.00 -0.78 -5.03 105.19 104.12 2bli n GLY 150 Ca 0.12 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2bli n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bli s TYR 151 N -2.00 2.81 0.18 1.61 5.04 -0.31 -5.02 117.35 119.66 2bli s TYR 151 Ca 0.00 -0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 53.66 2bli s TYR 151 Cb 0.00 -1.89 0.08 0.00 0.35 0.00 0.00 41.96 40.50 2bli s TYR 151 CO 0.00 -0.38 1.65 0.37 -1.34 0.00 0.00 175.55 175.86 2bli h GLN 152 N 7.13 1.10 0.00 4.97 4.15 -1.94 -3.23 115.11 127.30 2bli h GLN 152 Ca -0.30 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 58.78 2bli h GLN 152 Cb 1.20 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2bli h GLN 152 CO 0.57 1.05 0.00 0.41 -1.93 0.00 0.00 178.83 178.92