#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6c s HIS -5 N 0.00 3.73 -0.09 1.39 5.65 -1.26 -5.08 115.29 119.63 2a6c s HIS -5 Ca 0.00 1.38 0.02 0.00 0.25 0.00 0.00 55.06 56.71 2a6c s HIS -5 Cb 0.00 -2.60 0.02 0.00 -1.18 0.00 0.00 32.58 28.82 2a6c s HIS -5 CO 0.00 0.43 -0.13 -1.01 -0.65 0.00 0.00 174.74 173.39 2a6c s HIS -4 N -1.36 1.65 0.52 3.88 0.09 -1.26 -4.61 115.29 114.20 2a6c s HIS -4 Ca 0.38 -0.70 -0.17 0.00 -0.00 0.00 0.00 55.06 54.57 2a6c s HIS -4 Cb -0.18 -1.22 -0.08 0.00 -0.00 0.00 0.00 32.58 31.10 2a6c s HIS -4 CO 0.21 -0.38 0.99 -1.01 -0.00 0.00 0.00 174.74 174.56 2a6c s HIS -3 N 0.92 3.41 0.00 1.40 4.02 0.68 -5.00 115.29 120.72 2a6c s HIS -3 Ca -0.09 1.47 0.00 0.00 1.02 0.00 0.00 55.06 57.46 2a6c s HIS -3 Cb -0.15 -2.81 0.00 0.00 -1.02 0.00 0.00 32.58 28.60 2a6c s HIS -3 CO 0.00 -0.43 0.05 0.72 1.02 0.00 0.00 174.74 176.10 2a6c n HIS -2 N -1.60 0.00 -4.27 1.40 -0.00 -1.26 -4.75 115.22 104.73 2a6c n HIS -2 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.64 2a6c n HIS -2 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.43 2a6c n HIS -2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2a6c s HIS -1 N -0.28 1.40 -0.09 4.41 0.09 -1.26 -5.11 115.29 114.45 2a6c s HIS -1 Ca 0.00 -1.30 -0.06 0.00 -0.00 0.00 0.00 55.06 53.70 2a6c s HIS -1 Cb 0.00 -0.75 0.02 0.00 -0.00 0.00 0.00 32.58 31.85 2a6c s HIS -1 CO 0.00 -0.50 0.13 0.72 -0.00 0.00 0.00 174.74 175.09 2a6c n HIS 0 N -0.41 -2.69 -0.60 1.40 -0.00 -1.26 -4.95 115.22 106.71 2a6c n HIS 0 Ca 0.01 1.57 0.00 0.00 -0.00 0.00 0.00 57.72 59.30 2a6c n HIS 0 Cb 0.66 -2.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 2a6c n HIS 0 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2a6c n LYS 2 N 2.05 -0.81 0.00 -0.41 3.00 -1.26 -4.68 118.16 116.05 2a6c n LYS 2 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 2a6c n LYS 2 Cb 0.34 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.16 2a6c n LYS 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2a6c n ARG 4 N -0.46 0.00 -0.10 1.64 1.74 -1.26 -1.30 116.66 116.92 2a6c n ARG 4 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2a6c n ARG 4 Cb 0.06 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.47 2a6c n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2a6c h SER 5 N 0.00 0.45 -0.34 0.55 0.87 -1.93 -0.75 113.55 112.39 2a6c h SER 5 Ca 0.00 -0.22 0.06 0.00 -1.23 0.00 0.00 61.79 60.39 2a6c h SER 5 Cb 0.00 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 2a6c h SER 5 CO 0.00 0.55 0.03 -0.61 -0.53 0.00 0.00 176.83 176.28 2a6c h GLN 6 N 0.32 0.14 -0.25 2.24 4.15 -1.60 -0.07 115.11 120.04 2a6c h GLN 6 Ca 0.09 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.32 2a6c h GLN 6 Cb 0.28 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2a6c h GLN 6 CO -0.00 0.09 -0.59 -0.07 -1.93 0.00 0.00 178.83 176.33 2a6c h LEU 7 N 0.14 0.90 -0.61 -2.39 3.38 -1.81 -2.59 115.31 112.33 2a6c h LEU 7 Ca 0.16 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2a6c h LEU 7 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2a6c h LEU 7 CO -0.24 1.28 0.26 0.25 0.09 0.00 0.00 178.44 180.08 2a6c h LEU 8 N 0.60 0.82 -0.66 1.67 6.46 -0.98 -2.56 115.31 120.67 2a6c h LEU 8 Ca 0.00 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 2a6c h LEU 8 Cb 1.19 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.87 2a6c h LEU 8 CO 0.13 0.76 0.43 0.40 -0.62 0.00 0.00 178.44 179.53 2a6c h ILE 9 N 0.84 1.14 -0.51 4.05 2.04 -0.97 0.34 117.51 124.43 2a6c h ILE 9 Ca 0.20 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.85 2a6c h ILE 9 Cb 0.18 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 2a6c h ILE 9 CO -0.02 0.16 0.14 0.58 0.00 0.00 0.00 178.15 179.01 2a6c h VAL 10 N 0.86 0.77 -0.51 1.67 2.07 -1.27 -1.07 116.25 118.77 2a6c h VAL 10 Ca 0.25 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 2a6c h VAL 10 Cb -0.06 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2a6c h VAL 10 CO -0.07 0.05 0.19 -0.07 0.02 0.00 0.00 177.57 177.69 2a6c h LEU 11 N 0.30 0.72 -0.20 2.57 3.38 -1.01 -2.15 115.31 118.91 2a6c h LEU 11 Ca 0.25 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2a6c h LEU 11 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2a6c h LEU 11 CO -0.29 0.71 0.04 1.56 0.09 0.00 0.00 178.44 180.55 2a6c h GLN 12 N 0.69 0.12 -0.40 1.13 4.20 -0.53 -1.39 115.11 118.93 2a6c h GLN 12 Ca 0.17 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.74 2a6c h GLN 12 Cb 0.22 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2a6c h GLN 12 CO -0.01 0.08 -0.27 0.93 -0.67 0.00 0.00 178.83 178.89 2a6c h GLU 13 N 0.12 0.84 -0.18 1.46 5.08 -1.11 -0.97 114.58 119.81 2a6c h GLU 13 Ca 0.09 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 2a6c h GLU 13 Cb 0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2a6c h GLU 13 CO -0.12 1.00 -0.51 0.45 -1.00 0.00 0.00 179.01 178.83 2a6c h HIS 14 N 0.71 0.63 -0.20 4.33 3.86 -1.27 -3.16 115.15 120.05 2a6c h HIS 14 Ca 0.09 -0.21 -0.17 0.00 -1.16 0.00 0.00 60.37 58.91 2a6c h HIS 14 Cb 0.81 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 2a6c h HIS 14 CO 0.05 0.92 -0.57 -0.07 0.86 0.00 0.00 177.93 179.12 2a6c h LEU 15 N 0.40 0.71 -1.80 2.43 3.38 -1.16 -3.19 115.31 116.09 2a6c h LEU 15 Ca 0.02 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.65 2a6c h LEU 15 Cb 1.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2a6c h LEU 15 CO 0.09 1.13 0.24 0.03 0.09 0.00 0.00 178.44 180.03 2a6c h ARG 16 N 0.48 0.24 -0.23 1.13 3.08 -1.14 -2.76 114.38 115.19 2a6c h ARG 16 Ca 0.01 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 2a6c h ARG 16 Cb 1.13 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 2a6c h ARG 16 CO 0.11 0.16 -0.09 0.27 -1.07 0.00 0.00 179.97 179.35 2a6c n ASN 17 N -4.48 2.76 0.12 7.04 6.94 -1.24 -4.66 115.26 121.75 2a6c n ASN 17 Ca 0.04 -3.47 0.13 0.00 -0.02 0.00 0.00 54.58 51.26 2a6c n ASN 17 Cb 0.25 -0.56 0.42 0.00 -2.36 0.00 0.00 39.78 37.52 2a6c n ASN 17 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2a6c h SER 18 N 1.06 0.00 -0.18 0.53 4.64 -1.47 -3.47 113.55 114.66 2a6c h SER 18 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2a6c h SER 18 Cb 1.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.47 2a6c h SER 18 CO 0.23 0.00 -0.07 0.61 -0.87 0.00 0.00 176.83 176.73 2a6c n GLY 19 N 0.94 0.68 3.64 -0.77 0.00 -1.26 -5.06 105.19 103.36 2a6c n GLY 19 Ca 0.04 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2a6c n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a6c s LEU 20 N -0.87 3.35 0.81 0.99 1.43 -1.26 -5.11 118.68 118.03 2a6c s LEU 20 Ca 0.00 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 2a6c s LEU 20 Cb 0.00 -1.91 0.10 0.00 0.03 0.00 0.00 46.19 44.41 2a6c s LEU 20 CO 0.00 0.29 1.16 0.42 0.23 0.00 0.00 176.35 178.45 2a6c s THR 21 N -1.03 2.07 0.20 5.49 -4.23 -1.26 -4.80 115.64 112.08 2a6c s THR 21 Ca 0.18 -0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.50 2a6c s THR 21 Cb -0.11 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.88 2a6c s THR 21 CO 0.08 0.00 1.81 1.56 -0.54 0.00 0.00 174.62 177.54 2a6c h GLN 22 N -1.04 0.68 -0.19 3.99 4.20 -1.99 0.10 115.11 120.86 2a6c h GLN 22 Ca -0.45 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.27 2a6c h GLN 22 Cb 1.30 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 2a6c h GLN 22 CO 0.58 0.45 -0.11 0.35 -0.67 0.00 0.00 178.83 179.42 2a6c h PHE 23 N 0.70 -0.27 -0.32 2.96 3.57 -1.95 -1.67 116.94 119.96 2a6c h PHE 23 Ca 0.28 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 2a6c h PHE 23 Cb 0.13 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2a6c h PHE 23 CO -0.07 -0.17 -0.32 0.87 -2.23 0.00 0.00 178.31 176.39 2a6c h LYS 24 N -0.10 0.69 -0.59 1.11 1.79 -1.79 -2.54 116.57 115.14 2a6c h LYS 24 Ca 0.11 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.23 2a6c h LYS 24 Cb 0.26 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 2a6c h LYS 24 CO -0.25 0.92 0.25 0.00 -1.08 0.00 0.00 179.45 179.28 2a6c h ALA 25 N 1.06 1.32 -0.55 3.86 0.00 -0.69 -1.71 119.26 122.55 2a6c h ALA 25 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2a6c h ALA 25 Cb 0.83 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2a6c h ALA 25 CO 0.07 0.51 0.01 0.00 0.00 0.00 0.00 179.25 179.85 2a6c h ALA 26 N 1.42 0.74 -0.11 0.00 0.00 -0.93 0.79 119.26 121.17 2a6c h ALA 26 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2a6c h ALA 26 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2a6c h ALA 26 CO -0.02 0.56 0.05 1.49 0.00 0.00 0.00 179.25 181.33 2a6c h GLU 27 N 0.85 0.16 -0.52 0.00 4.81 -1.13 0.33 114.58 119.09 2a6c h GLU 27 Ca 0.16 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2a6c h GLU 27 Cb 0.52 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2a6c h GLU 27 CO 0.03 0.23 0.17 1.25 -0.73 0.00 0.00 179.01 179.96 2a6c h LEU 28 N 0.06 0.15 0.00 1.64 5.85 -1.13 -2.82 115.31 119.05 2a6c h LEU 28 Ca 0.04 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2a6c h LEU 28 Cb 0.12 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2a6c h LEU 28 CO -0.00 0.11 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.03 2a6c h LEU 29 N 0.34 0.00 0.12 2.25 3.38 -0.63 -3.48 115.31 117.28 2a6c h LEU 29 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 2a6c h LEU 29 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2a6c h LEU 29 CO -0.27 0.05 -0.07 0.61 0.09 0.00 0.00 178.44 178.85 2a6c n GLY 30 N 1.12 0.36 3.53 0.83 0.00 0.11 -5.06 105.19 106.07 2a6c n GLY 30 Ca 0.04 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2a6c n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a6c s VAL 31 N -2.30 1.65 0.76 1.61 -7.23 -0.67 -5.04 120.40 109.19 2a6c s VAL 31 Ca 0.01 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 2a6c s VAL 31 Cb -0.01 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 34.13 2a6c s VAL 31 CO 0.02 -0.04 1.09 0.42 -0.31 0.00 0.00 175.10 176.28 2a6c s THR 32 N -2.97 3.36 0.24 5.32 -4.23 -1.26 -4.46 115.64 111.63 2a6c s THR 32 Ca 0.35 0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 61.26 2a6c s THR 32 Cb 0.09 -3.25 0.12 0.00 1.34 0.00 0.00 72.50 70.79 2a6c s THR 32 CO 0.16 -0.58 1.74 1.56 -0.54 0.00 0.00 174.62 176.97 2a6c h GLN 33 N -0.91 0.94 -0.71 3.99 4.20 -1.93 -1.77 115.11 118.92 2a6c h GLN 33 Ca -0.46 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.04 2a6c h GLN 33 Cb 1.25 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 2a6c h GLN 33 CO 0.60 0.88 0.47 -1.35 -0.67 0.00 0.00 178.83 178.76 2a6c h PRO 34 N 0.88 0.84 -0.46 1.46 0.11 -1.98 0.08 132.00 132.94 2a6c h PRO 34 Ca 0.18 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2a6c h PRO 34 Cb 0.41 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2a6c h PRO 34 CO 0.01 0.56 0.27 -0.09 -0.21 0.00 0.00 178.00 178.53 2a6c h ARG 35 N 0.87 0.64 -0.81 1.05 9.65 -1.71 0.81 114.38 124.87 2a6c h ARG 35 Ca 0.28 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 2a6c h ARG 35 Cb 0.04 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 2a6c h ARG 35 CO -0.08 0.49 0.34 0.28 2.80 0.00 0.00 179.97 183.80 2a6c h VAL 36 N 0.61 1.26 -0.29 0.20 2.07 -0.98 -1.91 116.25 117.21 2a6c h VAL 36 Ca 0.16 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.93 2a6c h VAL 36 Cb 0.03 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 2a6c h VAL 36 CO -0.03 0.33 -0.05 -1.28 0.02 0.00 0.00 177.57 176.56 2a6c h SER 37 N 1.17 -0.23 -0.99 0.57 0.87 -0.67 -2.76 113.55 111.52 2a6c h SER 37 Ca 0.27 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 61.00 2a6c h SER 37 Cb 0.20 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 2a6c h SER 37 CO -0.02 -0.08 0.63 0.44 -0.53 0.00 0.00 176.83 177.27 2a6c h ASP 38 N 0.02 0.97 0.00 6.23 3.32 -0.35 -1.01 116.42 125.60 2a6c h ASP 38 Ca 0.14 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2a6c h ASP 38 Cb 0.20 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2a6c h ASP 38 CO -0.28 0.58 0.00 -0.11 -1.72 0.00 0.00 179.24 177.71 2a6c n LEU 39 N -4.55 0.17 0.00 1.55 7.94 -0.76 -1.57 117.00 119.78 2a6c n LEU 39 Ca 0.17 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2a6c n LEU 39 Cb 0.26 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.13 2a6c n LEU 39 CO 0.30 0.04 0.00 0.54 -1.11 0.00 0.00 177.39 177.16 2a6c n ARG 41 N 0.21 0.00 -2.66 1.96 1.74 -0.38 -4.50 116.66 113.02 2a6c n ARG 41 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2a6c n ARG 41 Cb 0.04 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.50 2a6c n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a6c n GLY 42 N 0.00 0.19 2.83 -0.13 0.00 -1.03 -4.93 105.19 102.13 2a6c n GLY 42 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2a6c n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a6c n LYS 43 N -2.20 3.27 0.26 1.61 5.02 -0.61 -4.80 118.16 120.71 2a6c n LYS 43 Ca -0.04 -3.13 0.13 0.00 -2.02 0.00 0.00 58.31 53.25 2a6c n LYS 43 Cb 0.55 -3.10 0.79 0.00 -0.02 0.00 0.00 35.03 33.25 2a6c n LYS 43 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2a6c h ILE 44 N 3.91 0.72 0.00 -0.18 3.07 -1.92 -1.99 117.51 121.12 2a6c h ILE 44 Ca 0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.88 2a6c h ILE 44 Cb 0.64 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.16 2a6c h ILE 44 CO 1.73 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 177.93 2a6c n ASP 45 N -4.14 0.33 -0.43 2.16 5.75 -1.26 -2.05 116.55 116.91 2a6c n ASP 45 Ca -0.02 0.59 0.13 0.00 -0.01 0.00 0.00 54.79 55.48 2a6c n ASP 45 Cb 0.14 -0.66 0.34 0.00 -1.03 0.00 0.00 41.12 39.91 2a6c n ASP 45 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2a6c n LEU 46 N -1.88 1.53 -4.17 -2.12 4.77 -0.75 -0.23 117.00 114.16 2a6c n LEU 46 Ca 0.02 -0.49 -0.34 0.00 -0.03 0.00 0.00 56.01 55.18 2a6c n LEU 46 Cb 0.17 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 2a6c n LEU 46 CO 0.15 0.27 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.64 2a6c s PHE 47 N -2.28 2.89 0.68 -1.77 0.40 -0.87 -5.02 117.98 112.01 2a6c s PHE 47 Ca 0.28 -1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 54.96 2a6c s PHE 47 Cb 0.20 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.75 2a6c s PHE 47 CO 0.44 -0.75 1.07 -1.54 0.70 0.00 0.00 175.22 175.14 2a6c s SER 48 N 1.32 5.32 0.37 1.36 1.04 -1.26 -4.92 113.70 116.93 2a6c s SER 48 Ca 0.03 1.73 0.06 0.00 0.48 0.00 0.00 55.95 58.25 2a6c s SER 48 Cb -0.14 -2.51 0.73 0.00 0.10 0.00 0.00 66.02 64.20 2a6c s SER 48 CO -0.09 -1.49 1.95 -0.07 0.98 0.00 0.00 173.24 174.52 2a6c h LEU 49 N -0.45 0.43 0.27 2.42 3.38 -1.99 -2.00 115.31 117.38 2a6c h LEU 49 Ca -0.45 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2a6c h LEU 49 Cb 1.22 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2a6c h LEU 49 CO 0.56 0.45 -0.47 -0.08 0.09 0.00 0.00 178.44 178.99 2a6c h GLU 50 N 0.47 -0.78 -0.71 1.13 4.57 -1.99 -1.36 114.58 115.91 2a6c h GLU 50 Ca 0.11 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2a6c h GLU 50 Cb 0.20 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2a6c h GLU 50 CO -0.00 -0.52 0.41 0.66 -1.18 0.00 0.00 179.01 178.38 2a6c h SER 51 N -0.81 0.86 -0.09 1.04 4.64 -1.87 0.60 113.55 117.92 2a6c h SER 51 Ca -0.02 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2a6c h SER 51 Cb 0.77 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2a6c h SER 51 CO -0.18 0.67 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.33 2a6c h LEU 52 N 0.98 0.21 -0.58 5.97 3.38 -1.32 -3.13 115.31 120.82 2a6c h LEU 52 Ca 0.25 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2a6c h LEU 52 Cb -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2a6c h LEU 52 CO -0.05 0.60 0.26 0.40 0.09 0.00 0.00 178.44 179.75 2a6c h ILE 53 N -0.18 1.22 0.00 1.22 2.04 -1.06 -1.66 117.51 119.09 2a6c h ILE 53 Ca 0.02 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2a6c h ILE 53 Cb 0.52 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2a6c h ILE 53 CO 0.02 0.25 0.00 0.47 0.00 0.00 0.00 178.15 178.89 2a6c n ASP 54 N -4.52 0.58 0.00 1.72 8.00 0.19 -1.56 116.55 120.96 2a6c n ASP 54 Ca 0.03 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2a6c n ASP 54 Cb 0.14 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2a6c n ASP 54 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2a6c n ILE 56 N 0.80 0.00 -0.13 0.53 5.41 -0.62 -1.24 119.36 124.11 2a6c n ILE 56 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 2a6c n ILE 56 Cb 0.10 0.00 0.24 0.00 -0.71 0.00 0.00 39.64 39.27 2a6c n ILE 56 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2a6c h THR 57 N 0.00 1.20 0.00 1.39 1.35 -1.44 -2.76 112.91 112.65 2a6c h THR 57 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2a6c h THR 57 Cb 0.00 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 2a6c h THR 57 CO 0.00 0.24 0.00 -1.54 -0.25 0.00 0.00 175.52 173.97 2a6c n SER 58 N -4.34 0.27 -1.06 5.36 3.41 -0.37 -1.18 113.62 115.71 2a6c n SER 58 Ca 0.05 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 2a6c n SER 58 Cb 0.15 -0.63 0.25 0.00 -0.26 0.00 0.00 64.21 63.72 2a6c n SER 58 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2a6c n ILE 59 N -1.81 1.37 -0.69 -1.33 -5.35 -1.07 -4.94 119.36 105.54 2a6c n ILE 59 Ca 0.02 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 2a6c n ILE 59 Cb 0.16 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 2a6c n ILE 59 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a6c n GLY 60 N 0.78 0.61 3.88 3.28 0.00 -0.33 -5.06 105.19 108.35 2a6c n GLY 60 Ca 0.19 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2a6c n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a6c s LEU 61 N 0.00 4.23 -0.07 0.99 1.43 -1.06 -5.03 118.68 119.17 2a6c s LEU 61 Ca 0.00 0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 53.77 2a6c s LEU 61 Cb 0.00 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2a6c s LEU 61 CO 0.00 0.00 0.46 -0.54 0.23 0.00 0.00 176.35 176.50 2a6c s LYS 62 N -2.59 4.20 -0.15 1.70 3.01 -1.26 -4.11 119.74 120.54 2a6c s LYS 62 Ca 0.43 0.45 0.00 0.00 -1.01 0.00 0.00 55.97 55.84 2a6c s LYS 62 Cb -0.12 -3.36 -0.01 0.00 -1.01 0.00 0.00 37.83 33.34 2a6c s LYS 62 CO 0.21 0.36 -0.15 0.08 0.51 0.00 0.00 175.35 176.37 2a6c s VAL 63 N -0.03 2.76 -0.07 3.17 1.01 -1.26 -5.05 120.40 120.93 2a6c s VAL 63 Ca 0.25 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2a6c s VAL 63 Cb -0.16 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2a6c s VAL 63 CO 0.12 0.52 -0.22 -1.61 0.00 0.00 0.00 175.10 173.90 2a6c s GLU 64 N 0.69 2.52 -0.19 2.72 8.01 -1.26 -5.12 118.70 126.07 2a6c s GLU 64 Ca -0.07 -0.81 -0.06 0.00 0.01 0.00 0.00 54.97 54.03 2a6c s GLU 64 Cb -0.16 -2.05 -0.03 0.00 -4.31 0.00 0.00 34.13 27.58 2a6c s GLU 64 CO 0.02 0.27 0.04 0.42 0.01 0.00 0.00 175.26 176.02 2a6c s ILE 65 N 0.09 4.45 -0.16 -1.63 1.01 -1.26 -5.08 121.20 118.62 2a6c s ILE 65 Ca -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 2a6c s ILE 65 Cb -0.15 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 2a6c s ILE 65 CO 0.05 0.43 -0.13 0.20 0.00 0.00 0.00 174.94 175.49 2a6c s ASN 66 N 0.71 3.80 -0.12 3.58 -0.87 -1.26 -5.11 114.94 115.67 2a6c s ASN 66 Ca 0.02 -0.44 -0.01 0.00 -1.57 0.00 0.00 52.86 50.87 2a6c s ASN 66 Cb -0.14 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.25 39.48 2a6c s ASN 66 CO 0.02 0.08 -0.10 -0.63 -2.57 0.00 0.00 177.10 173.90 2a6c s ILE 67 N 0.85 3.35 0.04 0.60 1.01 -1.26 -5.12 121.20 120.67 2a6c s ILE 67 Ca -0.04 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.09 2a6c s ILE 67 Cb -0.15 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2a6c s ILE 67 CO -0.00 0.53 -0.15 -0.54 0.00 0.00 0.00 174.94 174.78 2a6c s LYS 68 N 0.13 0.99 0.00 2.79 3.01 -1.26 -5.36 119.74 120.03 2a6c s LYS 68 Ca -0.05 -0.81 0.27 0.00 -1.01 0.00 0.00 55.97 54.37 2a6c s LYS 68 Cb -0.14 -1.02 0.79 0.00 -1.01 0.00 0.00 37.83 36.45 2a6c s LYS 68 CO 0.04 0.25 1.60 -0.40 0.51 0.00 0.00 175.35 177.35