#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6c s LEU 2 N 0.00 1.41 0.58 7.52 1.02 -1.26 -4.94 118.68 123.02 2d6c s LEU 2 Ca 0.00 -0.52 -0.00 0.00 0.02 0.00 0.00 54.13 53.63 2d6c s LEU 2 Cb 0.00 0.99 0.04 0.00 0.02 0.00 0.00 46.19 47.24 2d6c s LEU 2 CO 0.00 -0.64 0.83 -0.94 0.02 0.00 0.00 176.35 175.61 2d6c s SER 3 N -2.49 5.15 0.23 2.29 1.04 -1.26 -4.95 113.70 113.72 2d6c s SER 3 Ca 0.00 0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 2d6c s SER 3 Cb 0.02 -0.86 0.23 0.00 0.10 0.00 0.00 66.02 65.51 2d6c s SER 3 CO -0.08 -1.26 1.73 -0.08 0.98 0.00 0.00 173.24 174.54 2d6c h GLU 4 N -0.07 0.93 -0.12 4.02 4.57 -2.02 -1.17 114.58 120.72 2d6c h GLU 4 Ca -0.42 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.50 2d6c h GLU 4 Cb 1.30 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2d6c h GLU 4 CO 0.53 0.90 0.05 0.78 -1.18 0.00 0.00 179.01 180.08 2d6c h GLY 5 N 1.00 0.20 2.00 1.92 0.00 -1.98 0.24 103.07 106.44 2d6c h GLY 5 Ca 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 2d6c h GLY 5 CO 0.02 0.10 -0.15 0.83 0.00 0.00 0.00 176.54 177.34 2d6c h GLU 6 N 0.04 0.01 0.00 4.80 5.08 -1.92 -0.35 114.58 122.23 2d6c h GLU 6 Ca 0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2d6c h GLU 6 Cb 0.17 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2d6c h GLU 6 CO -0.00 0.16 -0.15 -1.49 -1.00 0.00 0.00 179.01 176.53 2d6c h TRP 7 N 0.01 0.00 0.16 4.33 -0.00 -0.57 -1.60 115.95 118.27 2d6c h TRP 7 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.89 58.58 2d6c h TRP 7 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.44 2d6c h TRP 7 CO 0.00 0.15 -1.49 1.96 -0.00 0.00 0.00 178.44 179.06 2d6c h GLN 8 N 0.00 0.33 -0.08 0.49 4.20 0.11 -3.10 115.11 117.06 2d6c h GLN 8 Ca -0.00 -0.57 -0.08 0.00 0.06 0.00 0.00 58.65 58.06 2d6c h GLN 8 Cb 0.98 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2d6c h GLN 8 CO 0.02 1.23 -0.26 -0.07 -0.67 0.00 0.00 178.83 179.08 2d6c h LEU 9 N 0.09 0.36 -0.74 1.46 3.38 -1.20 -0.49 115.31 118.18 2d6c h LEU 9 Ca -0.23 -0.62 0.13 0.00 0.09 0.00 0.00 57.88 57.24 2d6c h LEU 9 Cb 2.05 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.61 2d6c h LEU 9 CO 0.20 0.92 0.32 0.58 0.09 0.00 0.00 178.44 180.55 2d6c h VAL 10 N -0.17 0.72 0.00 1.22 2.07 -1.42 0.26 116.25 118.93 2d6c h VAL 10 Ca -0.01 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2d6c h VAL 10 Cb 0.89 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2d6c h VAL 10 CO 0.06 0.09 -0.34 -0.07 0.02 0.00 0.00 177.57 177.32 2d6c h LEU 11 N 0.50 0.00 -0.09 2.57 3.38 -1.53 -1.78 115.31 118.35 2d6c h LEU 11 Ca 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 2d6c h LEU 11 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2d6c h LEU 11 CO -0.36 0.34 -0.04 -0.74 0.09 0.00 0.00 178.44 177.74 2d6c h HIS 12 N 0.00 0.22 -0.06 1.13 2.76 0.11 -0.17 115.15 119.15 2d6c h HIS 12 Ca -0.00 -0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.03 2d6c h HIS 12 Cb 1.07 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.97 2d6c h HIS 12 CO 0.00 0.54 -0.37 -0.24 -1.30 0.00 0.00 177.93 176.56 2d6c h VAL 13 N -0.16 1.28 0.00 5.26 3.04 -0.65 -2.27 116.25 122.75 2d6c h VAL 13 Ca 0.02 -1.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.36 2d6c h VAL 13 Cb 0.48 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2d6c h VAL 13 CO 0.01 0.40 0.00 -0.25 -1.01 0.00 0.00 177.57 176.72 2d6c h TRP 14 N 0.10 0.00 -0.38 3.17 2.91 -1.16 -3.06 115.95 117.54 2d6c h TRP 14 Ca 0.01 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.90 2d6c h TRP 14 Cb 0.71 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.34 2d6c h TRP 14 CO 0.01 0.00 -0.29 0.00 -1.03 0.00 0.00 178.44 177.13 2d6c h ALA 15 N 2.20 0.78 0.00 2.65 0.00 -0.41 -2.30 119.26 122.19 2d6c h ALA 15 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2d6c h ALA 15 Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2d6c h ALA 15 CO 0.00 0.65 0.00 0.87 0.00 0.00 0.00 179.25 180.77 2d6c h LYS 16 N 0.68 0.00 -0.02 0.00 1.57 -1.53 -2.76 116.57 114.51 2d6c h LYS 16 Ca 0.08 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.62 2d6c h LYS 16 Cb 0.82 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.14 2d6c h LYS 16 CO 0.07 0.00 -0.95 0.28 -0.57 0.00 0.00 179.45 178.28 2d6c h VAL 17 N 0.00 1.34 -0.14 0.50 2.07 -1.41 -3.03 116.25 115.58 2d6c h VAL 17 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2d6c h VAL 17 Cb 0.59 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2d6c h VAL 17 CO 0.00 0.70 0.00 -0.62 0.02 0.00 0.00 177.57 177.67 2d6c n GLU 18 N -3.81 1.47 -0.02 1.57 1.02 -1.04 -1.75 120.64 118.07 2d6c n GLU 18 Ca -0.08 -0.56 -0.12 0.00 -0.02 0.00 0.00 57.16 56.38 2d6c n GLU 18 Cb 0.83 -1.27 -0.14 0.00 -0.02 0.00 0.00 31.44 30.84 2d6c n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d6c n ALA 19 N -0.01 1.35 -3.14 0.62 0.00 -1.14 -4.53 120.51 113.65 2d6c n ALA 19 Ca 0.05 -0.77 -0.20 0.00 0.00 0.00 0.00 53.44 52.52 2d6c n ALA 19 Cb 0.22 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 2d6c n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2d6c n ASP 20 N -3.13 -0.95 0.31 0.00 2.03 -1.05 -5.01 116.55 108.75 2d6c n ASP 20 Ca -0.22 -2.70 -0.16 0.00 0.52 0.00 0.00 54.79 52.22 2d6c n ASP 20 Cb 1.06 0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 41.42 2d6c n ASP 20 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2d6c h VAL 21 N 3.38 0.38 -0.45 5.18 -1.51 -1.58 -2.11 116.25 119.54 2d6c h VAL 21 Ca 0.10 -0.21 0.06 0.00 -1.23 0.00 0.00 66.70 65.43 2d6c h VAL 21 Cb 0.94 0.46 -0.09 0.00 -2.13 0.00 0.00 31.29 30.47 2d6c h VAL 21 CO 0.36 0.03 -0.49 0.00 -1.23 0.00 0.00 177.57 176.23 2d6c h ALA 22 N -0.58 -0.58 -0.63 5.19 0.00 -1.90 1.00 119.26 121.76 2d6c h ALA 22 Ca -0.08 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2d6c h ALA 22 Cb 0.64 1.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 2d6c h ALA 22 CO 0.13 -0.95 0.20 0.78 0.00 0.00 0.00 179.25 179.41 2d6c h GLY 23 N -0.34 0.88 1.35 0.00 0.00 -1.94 0.06 103.07 103.08 2d6c h GLY 23 Ca 0.12 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2d6c h GLY 23 CO -0.61 -0.07 -0.37 0.45 0.00 0.00 0.00 176.54 175.93 2d6c h HIS 24 N 0.35 0.85 -0.20 5.60 3.86 -0.46 -2.75 115.15 122.41 2d6c h HIS 24 Ca 0.33 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2d6c h HIS 24 Cb 0.47 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2d6c h HIS 24 CO -0.20 0.99 0.10 0.78 0.86 0.00 0.00 177.93 180.46 2d6c h GLY 25 N 0.95 0.30 0.62 2.45 0.00 0.20 -2.05 103.07 105.54 2d6c h GLY 25 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2d6c h GLY 25 CO 0.08 0.14 -0.41 1.46 0.00 0.00 0.00 176.54 177.81 2d6c h GLN 26 N 0.20 -0.83 -0.64 4.80 4.20 -1.01 -1.75 115.11 120.09 2d6c h GLN 26 Ca 0.07 0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.97 2d6c h GLN 26 Cb 0.10 0.19 -0.11 0.00 0.30 0.00 0.00 27.48 27.96 2d6c h GLN 26 CO -0.01 -0.55 0.03 -0.44 -0.67 0.00 0.00 178.83 177.19 2d6c h ASP 27 N -0.86 -0.23 0.33 1.46 3.32 -1.45 0.20 116.42 119.19 2d6c h ASP 27 Ca -0.04 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2d6c h ASP 27 Cb 0.75 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2d6c h ASP 27 CO -0.05 -0.10 -0.16 0.40 -1.72 0.00 0.00 179.24 177.61 2d6c h ILE 28 N 0.14 0.68 -0.64 0.35 2.04 -1.16 -1.07 117.51 117.86 2d6c h ILE 28 Ca 0.34 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 2d6c h ILE 28 Cb 0.56 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2d6c h ILE 28 CO -0.53 0.01 0.33 -0.07 0.00 0.00 0.00 178.15 177.89 2d6c h LEU 29 N -0.45 0.82 -0.99 1.44 3.38 -0.77 -0.95 115.31 117.79 2d6c h LEU 29 Ca -0.04 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2d6c h LEU 29 Cb 0.35 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2d6c h LEU 29 CO 0.07 0.70 0.65 0.40 0.09 0.00 0.00 178.44 180.35 2d6c h ILE 30 N 0.88 1.19 -0.47 1.22 2.04 -0.51 -0.53 117.51 121.34 2d6c h ILE 30 Ca 0.22 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 2d6c h ILE 30 Cb 0.08 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.95 2d6c h ILE 30 CO -0.03 0.23 0.02 -0.09 0.00 0.00 0.00 178.15 178.28 2d6c h ARG 31 N 1.27 0.81 0.06 2.37 9.65 -0.72 -1.46 114.38 126.36 2d6c h ARG 31 Ca 0.39 -0.25 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 2d6c h ARG 31 Cb -0.03 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 2d6c h ARG 31 CO -0.12 0.85 -0.10 1.25 2.80 0.00 0.00 179.97 184.65 2d6c h LEU 32 N 0.67 -0.28 -0.93 3.80 5.85 -0.32 0.23 115.31 124.34 2d6c h LEU 32 Ca 0.14 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 2d6c h LEU 32 Cb 0.47 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2d6c h LEU 32 CO 0.02 -0.15 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.54 2d6c h PHE 33 N -0.20 0.65 -0.21 1.25 0.04 -1.10 0.62 116.94 117.99 2d6c h PHE 33 Ca 0.02 -0.12 -0.15 0.00 2.80 0.00 0.00 57.97 60.52 2d6c h PHE 33 Cb 0.22 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.20 2d6c h PHE 33 CO -0.14 0.73 -0.44 -0.22 -0.60 0.00 0.00 178.31 177.64 2d6c h LYS 34 N 0.54 0.67 0.00 1.51 1.63 -1.04 -0.84 116.57 119.03 2d6c h LYS 34 Ca 0.09 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2d6c h LYS 34 Cb 0.59 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2d6c h LYS 34 CO 0.04 1.06 -0.23 0.77 -3.45 0.00 0.00 179.45 177.64 2d6c h SER 35 N 0.36 0.00 -1.43 4.20 0.02 -0.42 -3.40 113.55 112.88 2d6c h SER 35 Ca 0.00 -0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.56 2d6c h SER 35 Cb 1.04 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.33 2d6c h SER 35 CO 0.10 0.02 -0.72 1.41 -1.14 0.00 0.00 176.83 176.50 2d6c n HIS 36 N -2.48 -2.45 -0.20 3.45 8.25 0.22 -5.00 115.22 117.00 2d6c n HIS 36 Ca 0.04 -2.29 0.24 0.00 -0.26 0.00 0.00 57.72 55.45 2d6c n HIS 36 Cb 0.47 0.90 0.62 0.00 1.12 0.00 0.00 29.99 33.10 2d6c n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2d6c h PRO 37 N 4.98 0.18 0.00 -0.41 0.11 -1.34 -0.54 132.00 134.99 2d6c h PRO 37 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2d6c h PRO 37 Cb 1.01 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2d6c h PRO 37 CO 0.22 0.12 0.02 -0.85 -0.21 0.00 0.00 178.00 177.30 2d6c n GLU 38 N -4.39 0.00 0.07 1.05 0.28 -1.26 -1.10 120.64 115.28 2d6c n GLU 38 Ca 0.19 0.32 0.11 0.00 -0.16 0.00 0.00 57.16 57.62 2d6c n GLU 38 Cb 0.83 -1.52 0.01 0.00 1.43 0.00 0.00 31.44 32.19 2d6c n GLU 38 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2d6c n THR 39 N -1.31 0.40 1.75 3.84 -2.24 -0.21 -3.63 114.28 112.88 2d6c n THR 39 Ca 0.00 -0.42 0.15 0.00 -2.27 0.00 0.00 64.05 61.51 2d6c n THR 39 Cb 0.02 -0.13 0.78 0.00 -2.10 0.00 0.00 70.33 68.90 2d6c n THR 39 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2d6c n LEU 40 N -2.36 0.46 0.11 3.22 4.77 -0.26 -2.74 117.00 120.20 2d6c n LEU 40 Ca 0.01 -0.11 0.13 0.00 -0.03 0.00 0.00 56.01 56.00 2d6c n LEU 40 Cb 0.51 -0.04 0.43 0.00 -2.33 0.00 0.00 43.42 41.99 2d6c n LEU 40 CO 0.40 0.08 0.88 1.21 -1.33 0.00 0.00 177.39 178.63 2d6c n GLU 41 N -0.70 0.24 -0.01 3.23 2.13 -1.24 -2.65 120.64 121.64 2d6c n GLU 41 Ca 0.21 0.26 -0.12 0.00 0.66 0.00 0.00 57.16 58.16 2d6c n GLU 41 Cb 0.21 -1.81 -0.14 0.00 0.27 0.00 0.00 31.44 29.97 2d6c n GLU 41 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2d6c h LYS 42 N 0.00 0.09 -5.61 5.31 1.79 -1.74 -3.45 116.57 112.95 2d6c h LYS 42 Ca 0.00 -0.15 -0.62 0.00 -2.18 0.00 0.00 60.65 57.70 2d6c h LYS 42 Cb 0.64 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.26 2d6c h LYS 42 CO 0.00 0.74 -0.37 -0.06 -1.08 0.00 0.00 179.45 178.68 2d6c s PHE 43 N -2.59 3.55 -0.12 -1.35 0.08 -1.08 -4.99 117.98 111.47 2d6c s PHE 43 Ca -0.09 0.62 0.11 0.00 0.12 0.00 0.00 56.93 57.68 2d6c s PHE 43 Cb 0.08 -2.18 -0.15 0.00 -0.57 0.00 0.00 43.02 40.19 2d6c s PHE 43 CO 0.81 0.48 0.04 -0.40 -0.10 0.00 0.00 175.22 176.05 2d6c n ASP 44 N 2.71 2.00 0.00 1.36 5.75 -1.26 -4.33 116.55 122.79 2d6c n ASP 44 Ca -0.15 -0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.76 2d6c n ASP 44 Cb 0.53 0.78 0.72 0.00 -1.03 0.00 0.00 41.12 42.12 2d6c n ASP 44 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2d6c n ARG 45 N -2.46 0.58 -4.53 0.11 1.74 -1.26 -4.70 116.66 106.13 2d6c n ARG 45 Ca -0.20 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.65 2d6c n ARG 45 Cb 0.90 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.73 2d6c n ARG 45 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2d6c s PHE 46 N -2.32 2.17 0.00 -1.55 0.08 -1.26 -4.77 117.98 110.33 2d6c s PHE 46 Ca 0.32 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.51 2d6c s PHE 46 Cb 0.18 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 2d6c s PHE 46 CO 0.36 0.18 0.00 1.17 -0.10 0.00 0.00 175.22 176.83 2d6c n LYS 47 N -0.83 0.00 -0.23 0.44 4.81 -1.26 -4.77 118.16 116.32 2d6c n LYS 47 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.37 2d6c n LYS 47 Cb 0.67 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.77 2d6c n LYS 47 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2d6c n HIS 48 N -0.16 0.56 -3.61 5.64 -0.00 -1.26 -4.49 115.22 111.89 2d6c n HIS 48 Ca 0.00 -0.54 -0.40 0.00 0.46 0.00 0.00 57.72 57.24 2d6c n HIS 48 Cb 0.00 -0.31 -0.11 0.00 -0.12 0.00 0.00 29.99 29.45 2d6c n HIS 48 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2d6c s LEU 49 N -0.64 4.79 0.00 0.27 1.43 -1.26 -5.03 118.68 118.25 2d6c s LEU 49 Ca 0.12 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2d6c s LEU 49 Cb 0.09 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2d6c s LEU 49 CO 0.03 -0.42 0.00 0.29 0.23 0.00 0.00 176.35 176.47 2d6c n LYS 50 N 4.96 0.00 -1.49 1.70 4.76 -1.26 -4.89 118.16 121.94 2d6c n LYS 50 Ca -0.11 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.03 2d6c n LYS 50 Cb 0.45 -0.29 0.17 0.00 -1.84 0.00 0.00 35.03 33.51 2d6c n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2d6c s THR 51 N 0.00 1.93 0.14 -0.18 -4.23 -1.26 -4.86 115.64 107.17 2d6c s THR 51 Ca 0.00 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 2d6c s THR 51 Cb 0.00 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 71.29 2d6c s THR 51 CO 0.00 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.51 2d6c h GLU 52 N -1.75 0.00 -0.30 3.99 5.08 -1.98 -0.99 114.58 118.63 2d6c h GLU 52 Ca -0.49 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 2d6c h GLU 52 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2d6c h GLU 52 CO 0.53 0.31 -0.05 0.00 -1.00 0.00 0.00 179.01 178.80 2d6c h ALA 53 N 1.69 0.41 -0.40 3.43 0.00 -1.98 0.67 119.26 123.08 2d6c h ALA 53 Ca -0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2d6c h ALA 53 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2d6c h ALA 53 CO 0.04 0.22 -0.31 0.93 0.00 0.00 0.00 179.25 180.13 2d6c h GLU 54 N 0.34 0.89 -0.16 0.00 5.08 -1.82 -1.67 114.58 117.24 2d6c h GLU 54 Ca 0.08 -0.42 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 2d6c h GLU 54 Cb 0.53 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2d6c h GLU 54 CO 0.03 1.07 -0.56 0.52 -1.00 0.00 0.00 179.01 179.06 2d6c h MET 55 N 0.75 0.48 0.00 2.33 2.86 -1.12 -2.09 114.93 118.14 2d6c h MET 55 Ca 0.08 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2d6c h MET 55 Cb 0.88 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2d6c h MET 55 CO 0.08 0.91 0.00 0.87 1.06 0.00 0.00 176.91 179.83 2d6c h LYS 56 N 0.37 0.00 0.06 1.72 1.57 -0.79 -3.16 116.57 116.34 2d6c h LYS 56 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2d6c h LYS 56 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 2d6c h LYS 56 CO 0.10 0.00 -1.57 0.00 -0.57 0.00 0.00 179.45 177.41 2d6c h ALA 57 N 2.07 0.49 -1.17 3.86 0.00 -1.07 -3.46 119.26 119.97 2d6c h ALA 57 Ca 0.00 -1.24 -0.68 0.00 0.00 0.00 0.00 54.91 52.98 2d6c h ALA 57 Cb 0.72 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2d6c h ALA 57 CO 0.00 1.34 1.32 0.45 0.00 0.00 0.00 179.25 182.36 2d6c n SER 58 N -3.29 2.19 0.17 0.00 2.88 -0.81 -4.79 113.62 109.97 2d6c n SER 58 Ca -0.16 0.56 0.01 0.00 -1.33 0.00 0.00 58.87 57.95 2d6c n SER 58 Cb 1.03 -1.24 0.28 0.00 -0.75 0.00 0.00 64.21 63.54 2d6c n SER 58 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2d6c h GLU 59 N 11.29 0.00 0.08 -1.46 4.57 -1.90 -0.62 114.58 126.53 2d6c h GLU 59 Ca -0.30 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2d6c h GLU 59 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2d6c h GLU 59 CO 1.01 0.47 -0.04 0.22 -1.18 0.00 0.00 179.01 179.50 2d6c h ASP 60 N 0.00 -0.09 -0.21 1.04 1.82 -1.97 -1.65 116.42 115.36 2d6c h ASP 60 Ca -0.00 -0.26 -0.06 0.00 -0.39 0.00 0.00 57.03 56.32 2d6c h ASP 60 Cb 0.84 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 2d6c h ASP 60 CO 0.06 0.22 -0.03 0.25 -1.61 0.00 0.00 179.24 178.12 2d6c h LEU 61 N -0.40 0.49 -0.76 2.28 6.46 -1.83 -2.15 115.31 119.40 2d6c h LEU 61 Ca -0.01 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 2d6c h LEU 61 Cb 0.34 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 2d6c h LEU 61 CO 0.02 0.58 0.39 0.50 -0.62 0.00 0.00 178.44 179.32 2d6c h LYS 62 N 0.49 1.07 -0.76 1.25 3.64 -0.97 -1.97 116.57 119.32 2d6c h LYS 62 Ca 0.10 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2d6c h LYS 62 Cb 0.37 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2d6c h LYS 62 CO 0.02 0.81 0.43 -0.22 -2.27 0.00 0.00 179.45 178.22 2d6c h LYS 63 N 1.05 1.05 0.00 1.90 1.63 -0.65 -2.10 116.57 119.46 2d6c h LYS 63 Ca 0.26 -0.11 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 2d6c h LYS 63 Cb 0.07 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2d6c h LYS 63 CO -0.04 0.77 -0.33 0.45 -3.45 0.00 0.00 179.45 176.85 2d6c h HIS 64 N 1.05 0.00 -0.32 1.91 3.86 -1.15 -2.03 115.15 118.46 2d6c h HIS 64 Ca 0.27 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.35 2d6c h HIS 64 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2d6c h HIS 64 CO -0.00 0.33 -0.30 0.78 0.86 0.00 0.00 177.93 179.60 2d6c h GLY 65 N 1.31 0.83 1.69 2.45 0.00 -0.74 -2.18 103.07 106.43 2d6c h GLY 65 Ca -0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 2d6c h GLY 65 CO 0.04 0.76 -0.19 -2.08 0.00 0.00 0.00 176.54 175.08 2d6c h VAL 66 N 0.53 1.23 -0.29 4.60 2.07 -1.11 -2.58 116.25 120.70 2d6c h VAL 66 Ca 0.05 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 2d6c h VAL 66 Cb 0.87 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2d6c h VAL 66 CO 0.08 0.33 -0.10 0.74 0.02 0.00 0.00 177.57 178.64 2d6c h THR 67 N 0.34 1.29 0.57 2.57 2.02 -1.20 -1.29 112.91 117.20 2d6c h THR 67 Ca 0.06 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 2d6c h THR 67 Cb 0.53 1.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2d6c h THR 67 CO 0.03 0.37 -0.27 -0.37 0.37 0.00 0.00 175.52 175.65 2d6c h VAL 68 N 0.32 0.39 -0.98 3.16 -1.51 -1.26 -2.10 116.25 114.28 2d6c h VAL 68 Ca 0.07 -0.21 0.06 0.00 -1.23 0.00 0.00 66.70 65.39 2d6c h VAL 68 Cb 0.59 0.47 -0.06 0.00 -2.13 0.00 0.00 31.29 30.16 2d6c h VAL 68 CO 0.03 0.03 0.63 -0.07 -1.23 0.00 0.00 177.57 176.97 2d6c h LEU 69 N -0.91 1.00 0.56 4.19 3.38 -1.55 -1.14 115.31 120.84 2d6c h LEU 69 Ca -0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2d6c h LEU 69 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2d6c h LEU 69 CO 0.13 0.64 -0.41 0.74 0.09 0.00 0.00 178.44 179.63 2d6c h THR 70 N 1.14 0.18 -0.37 0.22 2.02 -1.12 0.49 112.91 115.46 2d6c h THR 70 Ca 0.42 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.60 2d6c h THR 70 Cb 0.17 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2d6c h THR 70 CO -0.16 0.00 0.21 0.00 0.37 0.00 0.00 175.52 175.94 2d6c h ALA 71 N -0.64 0.47 -0.54 6.16 0.00 -1.19 -2.00 119.26 121.51 2d6c h ALA 71 Ca -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2d6c h ALA 71 Cb 0.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2d6c h ALA 71 CO 0.02 -0.01 0.21 1.25 0.00 0.00 0.00 179.25 180.72 2d6c h LEU 72 N 0.47 0.76 -1.37 0.00 5.85 -1.12 -1.12 115.31 118.77 2d6c h LEU 72 Ca 0.13 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2d6c h LEU 72 Cb 0.04 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2d6c h LEU 72 CO -0.02 0.73 0.49 1.23 -0.34 0.00 0.00 178.44 180.52 2d6c h GLY 73 N 0.74 0.98 0.86 3.75 0.00 0.17 0.12 103.07 109.69 2d6c h GLY 73 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2d6c h GLY 73 CO -0.01 0.21 0.02 0.00 0.00 0.00 0.00 176.54 176.75 2d6c h ALA 74 N 1.61 0.35 -0.29 3.60 0.00 -0.58 -1.93 119.26 122.02 2d6c h ALA 74 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2d6c h ALA 74 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2d6c h ALA 74 CO -0.11 0.07 0.08 0.82 0.00 0.00 0.00 179.25 180.11 2d6c h ILE 75 N 0.25 1.21 -0.68 0.00 2.04 -0.03 -2.92 117.51 117.39 2d6c h ILE 75 Ca 0.08 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.28 2d6c h ILE 75 Cb 0.39 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2d6c h ILE 75 CO 0.01 0.22 0.44 -0.07 0.00 0.00 0.00 178.15 178.75 2d6c h LEU 76 N 0.31 0.75 -2.00 1.44 3.38 -0.81 -1.31 115.31 117.07 2d6c h LEU 76 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2d6c h LEU 76 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2d6c h LEU 76 CO -0.00 0.53 0.00 0.11 0.09 0.00 0.00 178.44 179.17 2d6c h LYS 77 N 0.88 0.00 0.00 1.13 1.57 -1.23 -0.15 116.57 118.77 2d6c h LYS 77 Ca 0.26 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 2d6c h LYS 77 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2d6c h LYS 77 CO -0.07 0.00 -0.14 0.87 -0.57 0.00 0.00 179.45 179.54 2d6c h LYS 78 N 0.00 0.00 -5.59 3.15 1.79 -1.05 -3.48 116.57 111.40 2d6c h LYS 78 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 2d6c h LYS 78 Cb 0.14 0.00 0.18 0.00 -1.58 0.00 0.00 32.23 30.96 2d6c h LYS 78 CO 0.00 0.14 -0.81 1.63 -1.08 0.00 0.00 179.45 179.33 2d6c n LYS 79 N -3.19 -4.75 0.00 3.15 5.02 -0.07 -2.84 118.16 115.48 2d6c n LYS 79 Ca 0.02 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2d6c n LYS 79 Cb 0.48 -5.82 0.00 0.00 -0.02 0.00 0.00 35.03 29.68 2d6c n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d6c n GLY 80 N -1.19 2.68 2.37 0.72 0.00 -1.26 -4.88 105.19 103.62 2d6c n GLY 80 Ca -0.20 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2d6c n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2d6c n HIS 81 N 0.00 2.22 0.28 1.61 8.25 -1.13 -4.31 115.22 122.14 2d6c n HIS 81 Ca 0.00 -2.75 0.06 0.00 -0.26 0.00 0.00 57.72 54.77 2d6c n HIS 81 Cb 0.00 -2.05 0.09 0.00 1.12 0.00 0.00 29.99 29.15 2d6c n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2d6c n HIS 82 N 2.49 0.17 -0.31 4.41 1.44 -1.26 -4.77 115.22 117.39 2d6c n HIS 82 Ca 0.67 -0.17 -0.08 0.00 -2.01 0.00 0.00 57.72 56.13 2d6c n HIS 82 Cb 0.32 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.35 2d6c n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2d6c n GLU 83 N 0.68 -0.33 -0.18 -1.40 4.71 -1.26 -0.38 120.64 122.48 2d6c n GLU 83 Ca 0.09 1.18 0.08 0.00 -0.01 0.00 0.00 57.16 58.50 2d6c n GLU 83 Cb 0.36 -1.73 0.37 0.00 -1.01 0.00 0.00 31.44 29.43 2d6c n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2d6c h ALA 84 N 0.32 1.76 0.00 0.62 0.00 -1.98 -2.60 119.26 117.39 2d6c h ALA 84 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2d6c h ALA 84 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2d6c h ALA 84 CO -0.70 0.10 -0.41 0.93 0.00 0.00 0.00 179.25 179.17 2d6c h GLU 85 N 0.71 0.00 0.00 0.00 3.07 -1.06 -3.24 114.58 114.05 2d6c h GLU 85 Ca 0.33 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.10 2d6c h GLU 85 Cb 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2d6c h GLU 85 CO -0.12 0.41 -0.42 -0.07 -1.40 0.00 0.00 179.01 177.41 2d6c h LEU 86 N 0.00 0.00 0.31 1.33 3.38 -0.97 -3.27 115.31 116.09 2d6c h LEU 86 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2d6c h LEU 86 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2d6c h LEU 86 CO 0.05 0.42 -0.27 0.11 0.09 0.00 0.00 178.44 178.85 2d6c h LYS 87 N 0.00 -0.54 -0.89 1.13 1.57 -1.58 0.35 116.57 116.61 2d6c h LYS 87 Ca -0.00 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2d6c h LYS 87 Cb 1.05 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 2d6c h LYS 87 CO 0.05 -0.36 0.55 -1.00 -0.57 0.00 0.00 179.45 178.13 2d6c h PRO 88 N -0.56 1.20 -0.09 3.15 0.13 -1.76 -0.04 132.00 134.03 2d6c h PRO 88 Ca -0.04 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2d6c h PRO 88 Cb 0.48 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2d6c h PRO 88 CO -0.01 0.83 0.00 1.25 -0.23 0.00 0.00 178.00 179.84 2d6c h LEU 89 N 1.22 -0.02 -1.01 1.56 5.85 -1.58 -1.99 115.31 119.34 2d6c h LEU 89 Ca 0.32 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 2d6c h LEU 89 Cb -0.08 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2d6c h LEU 89 CO -0.06 0.00 -0.20 0.00 -0.34 0.00 0.00 178.44 177.84 2d6c h ALA 90 N 1.07 1.17 -0.45 1.25 0.00 -0.05 -2.58 119.26 119.67 2d6c h ALA 90 Ca 0.04 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2d6c h ALA 90 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2d6c h ALA 90 CO -0.06 0.53 0.07 0.37 0.00 0.00 0.00 179.25 180.15 2d6c h GLN 91 N 0.43 0.75 -0.14 0.00 4.15 -0.61 -1.18 115.11 118.52 2d6c h GLN 91 Ca 0.07 -0.20 -0.21 0.00 0.77 0.00 0.00 58.65 59.07 2d6c h GLN 91 Cb 0.59 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.20 2d6c h GLN 91 CO 0.04 0.78 -0.76 0.66 -1.93 0.00 0.00 178.83 177.62 2d6c h SER 92 N 0.61 0.84 0.40 -0.69 4.64 -1.33 -1.87 113.55 116.16 2d6c h SER 92 Ca 0.14 -0.55 -0.20 0.00 -0.47 0.00 0.00 61.79 60.71 2d6c h SER 92 Cb 0.39 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2d6c h SER 92 CO 0.01 1.33 -0.86 0.45 -0.87 0.00 0.00 176.83 176.90 2d6c h HIS 93 N 0.49 0.47 0.01 4.77 3.86 -1.47 -1.63 115.15 121.65 2d6c h HIS 93 Ca -0.04 -0.24 -0.11 0.00 -1.16 0.00 0.00 60.37 58.81 2d6c h HIS 93 Cb 1.37 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 2d6c h HIS 93 CO 0.08 1.04 -0.60 0.00 0.86 0.00 0.00 177.93 179.31 2d6c h ALA 94 N 0.88 0.11 0.16 2.45 0.00 -1.30 0.41 119.26 121.97 2d6c h ALA 94 Ca -0.05 -0.82 -0.25 0.00 0.00 0.00 0.00 54.91 53.79 2d6c h ALA 94 Cb 1.47 0.32 0.03 0.00 0.00 0.00 0.00 17.79 19.61 2d6c h ALA 94 CO 0.14 0.33 -1.07 1.15 0.00 0.00 0.00 179.25 179.80 2d6c h THR 95 N -0.93 1.39 0.00 0.00 2.02 -1.49 -3.17 112.91 110.73 2d6c h THR 95 Ca -0.16 -2.52 -0.23 0.00 0.77 0.00 0.00 66.41 64.27 2d6c h THR 95 Cb 1.19 3.00 -0.03 0.00 -1.74 0.00 0.00 68.15 70.56 2d6c h THR 95 CO -0.07 0.74 -1.31 1.17 0.37 0.00 0.00 175.52 176.41 2d6c n LYS 96 N -3.95 0.56 -0.06 6.66 4.81 -0.88 -4.49 118.16 120.81 2d6c n LYS 96 Ca -0.14 0.55 0.12 0.00 -0.87 0.00 0.00 58.31 57.97 2d6c n LYS 96 Cb 0.92 -1.72 0.33 0.00 0.02 0.00 0.00 35.03 34.58 2d6c n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2d6c n HIS 97 N -4.43 0.16 -4.24 5.64 8.25 -0.67 -4.97 115.22 114.97 2d6c n HIS 97 Ca -0.32 -0.08 -0.32 0.00 -0.26 0.00 0.00 57.72 56.73 2d6c n HIS 97 Cb 0.67 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.71 2d6c n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2d6c n LYS 98 N 0.73 -1.17 -3.23 -0.41 4.76 -0.85 -4.90 118.16 113.09 2d6c n LYS 98 Ca 0.17 0.13 -0.40 0.00 -2.87 0.00 0.00 58.31 55.35 2d6c n LYS 98 Cb 0.45 -3.58 -0.07 0.00 -1.84 0.00 0.00 35.03 29.99 2d6c n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2d6c s ILE 99 N -4.22 5.08 0.46 -0.18 -1.09 0.14 -4.99 121.20 116.40 2d6c s ILE 99 Ca 0.06 0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 59.21 2d6c s ILE 99 Cb -0.03 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.92 2d6c s ILE 99 CO 0.98 0.14 1.12 -2.84 -1.23 0.00 0.00 174.94 173.10 2d6c s PRO 100 N 1.90 3.79 0.00 2.79 0.02 -1.26 -4.59 135.00 137.65 2d6c s PRO 100 Ca 0.23 1.63 0.05 0.00 0.02 0.00 0.00 61.00 62.94 2d6c s PRO 100 Cb -0.15 -2.33 0.22 0.00 0.02 0.00 0.00 34.50 32.25 2d6c s PRO 100 CO 0.09 -0.49 1.13 -0.89 -0.33 0.00 0.00 177.00 176.51 2d6c n ILE 101 N -0.59 1.54 0.19 2.83 2.08 -1.26 -1.24 119.36 122.91 2d6c n ILE 101 Ca 0.08 0.38 0.05 0.00 0.56 0.00 0.00 62.75 63.83 2d6c n ILE 101 Cb 0.49 -1.30 0.38 0.00 -0.75 0.00 0.00 39.64 38.46 2d6c n ILE 101 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2d6c h LYS 102 N 0.00 0.00 0.00 0.38 3.64 -2.00 -2.63 116.57 115.96 2d6c h LYS 102 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2d6c h LYS 102 Cb 0.08 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 2d6c h LYS 102 CO 0.00 0.36 -1.23 1.88 -2.27 0.00 0.00 179.45 178.19 2d6c h TYR 103 N 0.00 0.00 -0.05 1.91 0.05 -1.55 -2.47 116.97 114.87 2d6c h TYR 103 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2d6c h TYR 103 Cb 0.80 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.54 2d6c h TYR 103 CO 0.00 0.99 -0.01 -0.07 -1.05 0.00 0.00 178.16 178.02 2d6c h LEU 104 N 0.00 0.05 0.20 3.88 -0.00 -1.54 0.38 115.31 118.28 2d6c h LEU 104 Ca -0.10 -0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.51 2d6c h LEU 104 Cb 1.84 -0.01 0.03 0.00 -0.00 0.00 0.00 40.66 42.52 2d6c h LEU 104 CO 0.11 0.08 -1.16 -0.33 -0.00 0.00 0.00 178.44 177.14 2d6c h GLU 105 N 0.06 0.42 -0.59 1.13 5.08 -1.49 -2.92 114.58 116.27 2d6c h GLU 105 Ca 0.02 -0.71 0.04 0.00 -1.00 0.00 0.00 59.36 57.70 2d6c h GLU 105 Cb 0.06 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2d6c h GLU 105 CO 0.00 1.34 0.33 0.74 -1.00 0.00 0.00 179.01 180.43 2d6c h PHE 106 N -0.12 0.62 0.00 4.33 0.04 -0.68 -2.06 116.94 119.07 2d6c h PHE 106 Ca -0.20 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.48 2d6c h PHE 106 Cb 1.90 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 2d6c h PHE 106 CO 0.16 0.32 -0.50 0.97 -0.60 0.00 0.00 178.31 178.67 2d6c h ILE 107 N 0.64 1.12 -0.41 -0.55 6.09 -0.42 -2.20 117.51 121.79 2d6c h ILE 107 Ca 0.25 -1.85 -0.06 0.00 -1.37 0.00 0.00 64.86 61.83 2d6c h ILE 107 Cb 0.10 2.07 -0.02 0.00 0.47 0.00 0.00 36.82 39.45 2d6c h ILE 107 CO -0.14 0.49 0.02 0.28 -3.07 0.00 0.00 178.15 175.72 2d6c h SER 108 N 0.00 0.70 -0.06 2.19 0.02 -1.20 0.14 113.55 115.33 2d6c h SER 108 Ca -0.00 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.56 2d6c h SER 108 Cb 1.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2d6c h SER 108 CO 0.06 0.82 -0.22 1.05 -1.14 0.00 0.00 176.83 177.41 2d6c h GLU 109 N 0.55 0.46 -0.68 3.45 -0.00 -1.30 -1.36 114.58 115.71 2d6c h GLU 109 Ca 0.12 -0.16 -0.07 0.00 -0.00 0.00 0.00 59.36 59.24 2d6c h GLU 109 Cb 0.46 -0.03 -0.03 0.00 -0.00 0.00 0.00 28.75 29.14 2d6c h GLU 109 CO 0.02 0.66 0.14 0.00 -0.00 0.00 0.00 179.01 179.82 2d6c h ALA 110 N 1.35 0.90 -0.24 1.06 0.00 -0.83 0.75 119.26 122.26 2d6c h ALA 110 Ca 0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2d6c h ALA 110 Cb 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2d6c h ALA 110 CO 0.04 0.65 -0.16 0.82 0.00 0.00 0.00 179.25 180.60 2d6c h ILE 111 N 1.03 1.31 -0.13 0.00 2.04 -0.25 -0.04 117.51 121.47 2d6c h ILE 111 Ca 0.21 -1.27 -0.10 0.00 1.00 0.00 0.00 64.86 64.70 2d6c h ILE 111 Cb 0.41 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2d6c h ILE 111 CO 0.01 0.39 -0.35 0.40 0.00 0.00 0.00 178.15 178.60 2d6c h ILE 112 N 0.24 1.28 -0.38 -0.67 2.04 -1.19 0.37 117.51 119.21 2d6c h ILE 112 Ca 0.05 -1.38 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 2d6c h ILE 112 Cb 0.68 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2d6c h ILE 112 CO 0.04 0.42 -0.24 -0.74 0.00 0.00 0.00 178.15 177.63 2d6c h HIS 113 N 0.23 0.88 -0.02 1.37 2.76 -0.71 -1.60 115.15 118.06 2d6c h HIS 113 Ca 0.03 -0.21 -0.17 0.00 -2.20 0.00 0.00 60.37 57.82 2d6c h HIS 113 Cb 0.73 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.50 2d6c h HIS 113 CO 0.01 0.93 -0.65 0.28 -1.30 0.00 0.00 177.93 177.20 2d6c h VAL 114 N 0.67 1.39 -0.02 5.26 2.07 -0.56 -2.77 116.25 122.28 2d6c h VAL 114 Ca 0.09 -2.05 -0.09 0.00 0.82 0.00 0.00 66.70 65.46 2d6c h VAL 114 Cb 0.76 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2d6c h VAL 114 CO 0.06 0.61 -0.43 -0.07 0.02 0.00 0.00 177.57 177.76 2d6c h LEU 115 N 0.03 0.05 -0.27 2.57 3.38 -0.95 0.91 115.31 121.03 2d6c h LEU 115 Ca -0.07 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 2d6c h LEU 115 Cb 1.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2d6c h LEU 115 CO 0.13 0.47 -0.78 -0.74 0.09 0.00 0.00 178.44 177.61 2d6c h HIS 116 N 0.04 0.78 0.00 1.13 2.76 -1.34 0.15 115.15 118.68 2d6c h HIS 116 Ca 0.00 -0.36 -0.15 0.00 -2.20 0.00 0.00 60.37 57.67 2d6c h HIS 116 Cb 0.77 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 2d6c h HIS 116 CO 0.00 1.15 -1.24 0.66 -1.30 0.00 0.00 177.93 177.20 2d6c h SER 117 N 0.38 0.00 0.39 3.26 4.64 -1.41 -3.29 113.55 117.53 2d6c h SER 117 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2d6c h SER 117 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2d6c h SER 117 CO 0.15 0.52 -1.03 -1.14 -0.87 0.00 0.00 176.83 174.46 2d6c n ARG 118 N -2.92 0.27 -3.10 4.77 0.63 0.31 -4.65 116.66 111.96 2d6c n ARG 118 Ca -0.07 -0.01 -0.20 0.00 -0.92 0.00 0.00 57.85 56.65 2d6c n ARG 118 Cb 0.80 -1.58 -0.04 0.00 0.45 0.00 0.00 32.46 32.09 2d6c n ARG 118 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2d6c n HIS 119 N -1.92 -1.25 -0.04 -0.14 8.25 0.51 -4.98 115.22 115.65 2d6c n HIS 119 Ca 0.02 -3.03 -0.12 0.00 -0.26 0.00 0.00 57.72 54.32 2d6c n HIS 119 Cb 0.43 0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.70 2d6c n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2d6c h PRO 120 N 4.24 0.22 -0.67 -0.41 0.11 -1.75 -2.06 132.00 131.68 2d6c h PRO 120 Ca 0.05 -0.08 0.08 0.00 0.11 0.00 0.00 66.00 66.15 2d6c h PRO 120 Cb 0.93 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 2d6c h PRO 120 CO 0.40 0.51 0.44 0.78 -0.21 0.00 0.00 178.00 179.92 2d6c h GLY 121 N -0.09 0.81 -0.02 -0.55 0.00 -1.94 -3.16 103.07 98.12 2d6c h GLY 121 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2d6c h GLY 121 CO 0.01 0.17 -0.01 2.09 0.00 0.00 0.00 176.54 178.80 2d6c n ASP 122 N -4.48 2.24 -2.82 0.19 5.75 -1.23 -5.00 116.55 111.19 2d6c n ASP 122 Ca 0.10 -2.92 -0.13 0.00 -0.01 0.00 0.00 54.79 51.83 2d6c n ASP 122 Cb 0.28 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 2d6c n ASP 122 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2d6c n PHE 123 N -1.28 0.24 0.00 2.11 7.35 -0.78 -4.86 117.46 120.25 2d6c n PHE 123 Ca 0.14 -1.18 0.00 0.00 -0.76 0.00 0.00 57.45 55.64 2d6c n PHE 123 Cb 0.59 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.36 2d6c n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2d6c n GLY 124 N 1.40 -0.60 0.34 7.13 0.00 -1.26 -4.76 105.19 107.45 2d6c n GLY 124 Ca -0.05 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 2d6c n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6c h ALA 125 N 0.00 -0.52 0.00 4.61 0.00 -1.96 4.62 119.26 126.01 2d6c h ALA 125 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2d6c h ALA 125 Cb 0.00 1.23 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2d6c h ALA 125 CO 0.00 -0.82 0.16 -0.40 0.00 0.00 0.00 179.25 178.20 2d6c n ASP 126 N -4.81 0.02 0.00 0.00 5.75 -1.26 -2.48 116.55 113.76 2d6c n ASP 126 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 2d6c n ASP 126 Cb 0.23 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 2d6c n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2d6c n ALA 127 N -1.36 1.23 0.21 2.12 0.00 0.15 -4.68 120.51 118.17 2d6c n ALA 127 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2d6c n ALA 127 Cb 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 2d6c n ALA 127 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2d6c h GLN 128 N 0.00 -0.76 -0.46 0.00 5.75 0.93 0.59 115.11 121.16 2d6c h GLN 128 Ca 0.00 0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2d6c h GLN 128 Cb 0.27 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2d6c h GLN 128 CO 0.00 -0.51 0.10 0.78 -2.65 0.00 0.00 178.83 176.56 2d6c h GLY 129 N -0.79 0.75 0.61 2.39 0.00 -1.71 0.26 103.07 104.57 2d6c h GLY 129 Ca -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2d6c h GLY 129 CO -0.13 0.39 -0.10 0.00 0.00 0.00 0.00 176.54 176.70 2d6c h ALA 130 N 1.44 -0.29 0.00 3.60 0.00 -1.67 -0.84 119.26 121.49 2d6c h ALA 130 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2d6c h ALA 130 Cb 0.27 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2d6c h ALA 130 CO -0.00 -0.47 -0.14 1.98 0.00 0.00 0.00 179.25 180.62 2d6c h MET 131 N -0.69 0.00 0.00 0.00 -1.53 0.24 0.18 114.93 113.14 2d6c h MET 131 Ca -0.03 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.15 2d6c h MET 131 Cb 0.48 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 2d6c h MET 131 CO 0.05 0.14 -0.37 -0.97 0.14 0.00 0.00 176.91 175.90 2d6c h ASN 132 N 0.00 0.00 0.13 1.39 -1.24 -0.29 -2.78 115.58 112.80 2d6c h ASN 132 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 2d6c h ASN 132 Cb 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.38 2d6c h ASN 132 CO 0.02 0.37 -0.06 0.11 -1.29 0.00 0.00 177.43 176.57 2d6c h LYS 133 N 0.00 -0.17 -0.84 6.67 1.57 0.82 -2.96 116.57 121.66 2d6c h LYS 133 Ca -0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2d6c h LYS 133 Cb 0.86 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 2d6c h LYS 133 CO 0.05 0.25 0.54 0.00 -0.57 0.00 0.00 179.45 179.72 2d6c h ALA 134 N -0.46 1.10 -0.34 3.86 0.00 -1.41 -1.28 119.26 120.72 2d6c h ALA 134 Ca -0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2d6c h ALA 134 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2d6c h ALA 134 CO 0.03 0.38 -0.26 -0.07 0.00 0.00 0.00 179.25 179.32 2d6c h LEU 135 N 1.05 0.72 -0.63 0.00 3.38 -1.64 -0.38 115.31 117.82 2d6c h LEU 135 Ca 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2d6c h LEU 135 Cb -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2d6c h LEU 135 CO -0.11 0.95 0.26 -0.08 0.09 0.00 0.00 178.44 179.55 2d6c h GLU 136 N 0.61 0.94 -0.46 1.13 4.81 -1.26 -0.50 114.58 119.84 2d6c h GLU 136 Ca 0.08 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 2d6c h GLU 136 Cb 0.76 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2d6c h GLU 136 CO 0.06 0.78 -0.07 1.25 -0.73 0.00 0.00 179.01 180.30 2d6c h LEU 137 N 0.88 0.79 0.51 1.64 5.85 -0.99 -1.61 115.31 122.37 2d6c h LEU 137 Ca 0.21 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2d6c h LEU 137 Cb 0.19 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2d6c h LEU 137 CO -0.02 0.89 -0.30 0.15 -0.34 0.00 0.00 178.44 178.83 2d6c h PHE 138 N 0.73 -0.78 -0.96 1.25 3.57 -0.27 -1.21 116.94 119.27 2d6c h PHE 138 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2d6c h PHE 138 Cb 0.54 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 2d6c h PHE 138 CO 0.03 -0.46 0.63 0.00 -2.23 0.00 0.00 178.31 176.28 2d6c h ARG 139 N -0.76 1.26 0.53 1.11 3.08 -1.04 -1.16 114.38 117.40 2d6c h ARG 139 Ca -0.06 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2d6c h ARG 139 Cb 0.61 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2d6c h ARG 139 CO 0.07 0.84 -0.27 -0.22 -1.07 0.00 0.00 179.97 179.31 2d6c h LYS 140 N 1.30 -0.71 0.00 0.04 3.64 -1.05 -1.12 116.57 118.67 2d6c h LYS 140 Ca 0.35 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.72 2d6c h LYS 140 Cb -0.15 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2d6c h LYS 140 CO -0.08 -0.47 -0.30 -0.44 -2.27 0.00 0.00 179.45 175.89 2d6c h ASP 141 N -0.74 0.00 -0.19 4.20 3.32 -1.10 -2.53 116.42 119.38 2d6c h ASP 141 Ca -0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2d6c h ASP 141 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2d6c h ASP 141 CO 0.10 0.30 -0.04 0.40 -1.72 0.00 0.00 179.24 178.28 2d6c h ILE 142 N 0.00 1.28 -0.86 0.35 1.08 -1.01 -2.41 117.51 115.93 2d6c h ILE 142 Ca -0.00 -1.01 0.07 0.00 -0.39 0.00 0.00 64.86 63.53 2d6c h ILE 142 Cb 0.56 1.55 -0.06 0.00 -3.07 0.00 0.00 36.82 35.80 2d6c h ILE 142 CO 0.04 0.30 0.53 0.00 -0.69 0.00 0.00 178.15 178.34 2d6c h ALA 143 N 0.74 1.19 -0.11 1.87 0.00 -0.97 0.76 119.26 122.74 2d6c h ALA 143 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2d6c h ALA 143 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2d6c h ALA 143 CO 0.02 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.50 2d6c h ALA 144 N 1.41 0.07 -0.38 0.00 0.00 -1.28 -1.37 119.26 117.71 2d6c h ALA 144 Ca 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2d6c h ALA 144 Cb 0.20 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2d6c h ALA 144 CO -0.18 -0.49 0.21 0.87 0.00 0.00 0.00 179.25 179.65 2d6c h LYS 145 N -0.01 0.54 -0.41 0.00 1.79 -0.90 0.13 116.57 117.70 2d6c h LYS 145 Ca 0.06 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 2d6c h LYS 145 Cb 0.10 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 2d6c h LYS 145 CO -0.12 0.44 -0.46 1.88 -1.08 0.00 0.00 179.45 180.11 2d6c h TYR 146 N 0.49 -1.43 -0.63 -1.35 -1.99 -0.44 0.42 116.97 112.05 2d6c h TYR 146 Ca 0.13 0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.98 2d6c h TYR 146 Cb 0.07 0.68 -0.04 0.00 2.00 0.00 0.00 36.73 39.44 2d6c h TYR 146 CO -0.02 -0.39 0.42 -0.22 -0.00 0.00 0.00 178.16 177.94 2d6c h LYS 147 N -0.28 0.68 0.00 4.88 3.64 -1.10 -0.24 116.57 124.16 2d6c h LYS 147 Ca 0.07 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2d6c h LYS 147 Cb 0.47 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2d6c h LYS 147 CO -0.53 0.45 -0.03 1.49 -2.27 0.00 0.00 179.45 178.56 2d6c h GLU 148 N 0.70 0.00 -0.23 1.90 4.81 0.25 -2.18 114.58 119.82 2d6c h GLU 148 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2d6c h GLU 148 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2d6c h GLU 148 CO -0.07 0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.52 2d6c n LEU 149 N -3.45 2.92 0.00 1.64 4.77 0.52 -4.96 117.00 118.43 2d6c n LEU 149 Ca -0.02 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 2d6c n LEU 149 Cb 0.14 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2d6c n LEU 149 CO 0.25 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2d6c n GLY 150 N 1.09 1.63 0.00 -0.72 0.00 -0.82 -5.07 105.19 101.30 2d6c n GLY 150 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2d6c n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60