#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3f n THR 3 N 0.00 0.00 -0.69 0.00 -2.24 -1.26 -3.97 114.28 106.12 2o3f n THR 3 Ca 0.00 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2o3f n THR 3 Cb 0.00 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2o3f n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o3f n GLY 4 N -0.31 0.79 0.26 3.38 0.00 -1.23 -4.78 105.19 103.30 2o3f n GLY 4 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2o3f n GLY 4 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2o3f h GLY 5 N 0.00 0.95 1.37 -0.02 0.00 -1.78 -0.41 103.07 103.18 2o3f h GLY 5 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 2o3f h GLY 5 CO 0.00 0.19 -0.68 1.41 0.00 0.00 0.00 176.54 177.46 2o3f h LEU 6 N 0.71 0.73 -0.14 3.11 3.38 -1.86 -2.63 115.31 118.61 2o3f h LEU 6 Ca 0.28 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2o3f h LEU 6 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2o3f h LEU 6 CO -0.15 1.21 0.06 0.00 0.09 0.00 0.00 178.44 179.65 2o3f h ALA 7 N 0.79 0.18 -0.86 1.53 0.00 -1.89 -0.75 119.26 118.27 2o3f h ALA 7 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2o3f h ALA 7 Cb 1.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2o3f h ALA 7 CO 0.13 -0.25 0.45 -0.84 0.00 0.00 0.00 179.25 178.75 2o3f h ILE 8 N 0.09 1.25 -0.27 0.00 3.07 -1.10 -0.28 117.51 120.27 2o3f h ILE 8 Ca 0.05 -0.65 -0.06 0.00 1.55 0.00 0.00 64.86 65.74 2o3f h ILE 8 Cb 0.14 0.11 -0.01 0.00 -0.27 0.00 0.00 36.82 36.79 2o3f h ILE 8 CO -0.01 0.29 -0.08 0.40 -1.05 0.00 0.00 178.15 177.71 2o3f h ILE 9 N 1.21 1.29 -0.64 0.16 2.04 -1.37 -3.18 117.51 117.02 2o3f h ILE 9 Ca 0.30 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 2o3f h ILE 9 Cb 0.05 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2o3f h ILE 9 CO -0.05 0.35 0.28 -0.61 0.00 0.00 0.00 178.15 178.13 2o3f h GLN 10 N 0.28 0.94 -3.17 2.37 5.75 -0.87 -3.46 115.11 116.96 2o3f h GLN 10 Ca 0.07 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2o3f h GLN 10 Cb 0.56 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.95 2o3f h GLN 10 CO 0.03 0.77 0.29 0.43 -2.65 0.00 0.00 178.83 177.70 2o3f n SER 11 N -4.46 0.00 -3.65 -0.69 7.64 -0.14 -5.10 113.62 107.23 2o3f n SER 11 Ca 0.04 -0.83 -0.28 0.00 1.01 0.00 0.00 58.87 58.81 2o3f n SER 11 Cb 0.15 -0.04 0.04 0.00 -1.01 0.00 0.00 64.21 63.35 2o3f n SER 11 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2o3f n HIS 14 N 2.50 -1.96 -1.18 1.43 8.25 -1.26 -5.11 115.22 117.89 2o3f n HIS 14 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 2o3f n HIS 14 Cb 0.00 -3.65 0.00 0.00 1.12 0.00 0.00 29.99 27.46 2o3f n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2o3f n LEU 16 N -4.09 -1.74 -4.67 2.41 4.77 -1.26 -5.20 117.00 107.23 2o3f n LEU 16 Ca -0.13 2.24 -0.31 0.00 -0.03 0.00 0.00 56.01 57.79 2o3f n LEU 16 Cb 0.61 -2.01 0.17 0.00 -2.33 0.00 0.00 43.42 39.86 2o3f n LEU 16 CO 0.67 0.07 0.67 -2.84 -1.33 0.00 0.00 177.39 174.63 2o3f s PRO 17 N -4.52 0.95 0.24 3.23 0.02 -1.26 -4.55 135.00 129.11 2o3f s PRO 17 Ca 0.00 1.50 -0.15 0.00 0.02 0.00 0.00 61.00 62.37 2o3f s PRO 17 Cb 0.00 -1.72 0.29 0.00 0.02 0.00 0.00 34.50 33.09 2o3f s PRO 17 CO 0.00 -2.66 1.57 -1.35 -0.33 0.00 0.00 177.00 174.23 2o3f h PRO 18 N -1.89 -0.02 -0.32 5.54 0.11 -2.04 0.43 132.00 133.81 2o3f h PRO 18 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 2o3f h PRO 18 Cb 1.27 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2o3f h PRO 18 CO 0.42 -0.02 -0.24 0.66 -0.21 0.00 0.00 178.00 178.62 2o3f h SER 19 N -0.03 0.64 0.52 -2.05 4.64 -1.98 -1.51 113.55 113.78 2o3f h SER 19 Ca 0.37 -0.22 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 2o3f h SER 19 Cb 0.62 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2o3f h SER 19 CO -0.93 0.86 -0.75 -0.33 -0.87 0.00 0.00 176.83 174.81 2o3f h GLU 20 N 0.55 0.18 -0.32 4.77 5.08 -1.67 -3.22 114.58 119.96 2o3f h GLU 20 Ca 0.08 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2o3f h GLU 20 Cb 0.70 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2o3f h GLU 20 CO 0.05 0.84 0.10 -0.09 -1.00 0.00 0.00 179.01 178.92 2o3f h ARG 21 N 0.12 0.49 -0.78 2.33 1.12 -0.24 -0.92 114.38 116.50 2o3f h ARG 21 Ca -0.02 -0.11 0.08 0.00 -1.11 0.00 0.00 59.98 58.82 2o3f h ARG 21 Cb 1.32 -0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 31.14 2o3f h ARG 21 CO 0.11 0.54 0.44 0.87 -3.11 0.00 0.00 179.97 178.82 2o3f h LYS 22 N 0.36 0.75 -0.24 0.20 1.57 -1.37 0.46 116.57 118.30 2o3f h LYS 22 Ca 0.10 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2o3f h LYS 22 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2o3f h LYS 22 CO -0.00 0.50 0.05 -0.07 -0.57 0.00 0.00 179.45 179.36 2o3f h LEU 23 N 0.78 0.37 -1.03 2.94 3.38 -1.50 -1.99 115.31 118.27 2o3f h LEU 23 Ca 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2o3f h LEU 23 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2o3f h LEU 23 CO -0.22 0.51 0.28 0.00 0.09 0.00 0.00 178.44 179.11 2o3f h ALA 24 N 0.87 1.23 -0.65 1.53 0.00 -0.58 -1.57 119.26 120.09 2o3f h ALA 24 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2o3f h ALA 24 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2o3f h ALA 24 CO 0.00 0.57 0.21 -0.44 0.00 0.00 0.00 179.25 179.59 2o3f h ASP 25 N 0.97 0.94 -0.27 0.00 3.32 -0.76 -0.57 116.42 120.05 2o3f h ASP 25 Ca 0.23 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 2o3f h ASP 25 Cb 0.16 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2o3f h ASP 25 CO -0.02 0.89 -0.40 0.22 -1.72 0.00 0.00 179.24 178.21 2o3f h TYR 26 N 0.93 0.92 -0.39 4.55 3.20 -0.88 -1.52 116.97 123.78 2o3f h TYR 26 Ca 0.21 -0.31 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2o3f h TYR 26 Cb 0.28 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2o3f h TYR 26 CO 0.02 1.09 0.12 0.82 -1.64 0.00 0.00 178.16 178.56 2o3f h ILE 27 N 0.49 1.22 -0.38 1.81 2.04 -1.19 0.25 117.51 121.74 2o3f h ILE 27 Ca 0.03 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2o3f h ILE 27 Cb 0.99 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2o3f h ILE 27 CO 0.09 0.25 0.02 -0.07 0.00 0.00 0.00 178.15 178.44 2o3f h LEU 28 N 0.48 0.56 -0.24 1.44 3.38 -1.03 -1.30 115.31 118.60 2o3f h LEU 28 Ca 0.12 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 2o3f h LEU 28 Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2o3f h LEU 28 CO -0.00 0.62 -0.87 0.00 0.09 0.00 0.00 178.44 178.28 2o3f h ALA 29 N 1.45 0.43 -2.08 1.53 0.00 -0.80 -3.39 119.26 116.41 2o3f h ALA 29 Ca 0.12 -0.67 -0.54 0.00 0.00 0.00 0.00 54.91 53.82 2o3f h ALA 29 Cb 0.34 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.70 2o3f h ALA 29 CO 0.01 0.80 -0.99 0.72 0.00 0.00 0.00 179.25 179.79 2o3f n HIS 30 N -3.78 1.19 0.11 0.00 8.25 0.84 -4.96 115.22 116.87 2o3f n HIS 30 Ca -0.06 -3.82 -0.00 0.00 -0.26 0.00 0.00 57.72 53.58 2o3f n HIS 30 Cb 0.79 -0.43 0.29 0.00 1.12 0.00 0.00 29.99 31.77 2o3f n HIS 30 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2o3f h PRO 31 N 3.46 0.21 -1.02 -0.41 0.13 -1.45 -1.25 132.00 131.67 2o3f h PRO 31 Ca 0.11 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2o3f h PRO 31 Cb 0.82 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2o3f h PRO 31 CO 0.59 0.51 0.00 0.72 -0.23 0.00 0.00 178.00 179.59 2o3f n HIS 32 N -4.11 0.00 0.00 1.56 8.25 -1.26 -2.06 115.22 117.59 2o3f n HIS 32 Ca -0.01 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2o3f n HIS 32 Cb 0.40 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2o3f n HIS 32 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2o3f n ALA 34 N 0.69 0.00 0.52 -1.41 0.00 -0.47 -3.47 120.51 116.37 2o3f n ALA 34 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2o3f n ALA 34 Cb 0.05 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.94 2o3f n ALA 34 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2o3f n ILE 35 N 0.00 0.76 -1.51 0.00 -5.35 -0.88 -2.15 119.36 110.24 2o3f n ILE 35 Ca 0.00 0.13 -0.03 0.00 -0.27 0.00 0.00 62.75 62.58 2o3f n ILE 35 Cb 0.00 -0.96 0.20 0.00 -1.74 0.00 0.00 39.64 37.13 2o3f n ILE 35 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2o3f n GLU 36 N -1.98 1.82 -4.52 6.28 0.28 -1.23 -5.03 120.64 116.27 2o3f n GLU 36 Ca 0.03 -3.25 -0.29 0.00 -0.16 0.00 0.00 57.16 53.49 2o3f n GLU 36 Cb 0.26 -1.79 -0.13 0.00 1.43 0.00 0.00 31.44 31.20 2o3f n GLU 36 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2o3f s SER 37 N -2.71 3.28 0.78 -1.84 0.01 -0.91 -5.12 113.70 107.18 2o3f s SER 37 Ca 0.44 -0.71 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 2o3f s SER 37 Cb 0.40 -0.24 0.06 0.00 0.21 0.00 0.00 66.02 66.45 2o3f s SER 37 CO -0.02 0.20 1.12 0.42 0.41 0.00 0.00 173.24 175.37 2o3f s THR 38 N -1.00 2.85 0.21 1.44 -4.23 -1.26 -4.88 115.64 108.77 2o3f s THR 38 Ca 0.13 0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.82 2o3f s THR 38 Cb -0.10 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 70.69 2o3f s THR 38 CO 0.05 -0.36 1.76 0.58 -0.54 0.00 0.00 174.62 176.11 2o3f h VAL 39 N -0.95 0.83 -0.78 2.29 2.07 -1.99 -1.23 116.25 116.49 2o3f h VAL 39 Ca -0.46 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 2o3f h VAL 39 Cb 1.28 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2o3f h VAL 39 CO 0.63 0.09 0.31 0.78 0.02 0.00 0.00 177.57 179.40 2o3f h ASN 40 N 0.47 1.07 -0.09 0.57 -0.26 -1.97 -1.17 115.58 114.20 2o3f h ASN 40 Ca 0.30 -0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 2o3f h ASN 40 Cb 0.32 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2o3f h ASN 40 CO -0.26 0.94 -0.06 -0.33 -1.06 0.00 0.00 177.43 176.66 2o3f h GLU 41 N 1.13 0.20 -0.30 0.81 5.08 -1.85 -2.47 114.58 117.18 2o3f h GLU 41 Ca 0.26 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2o3f h GLU 41 Cb 0.21 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2o3f h GLU 41 CO -0.02 0.59 -0.21 0.97 -1.00 0.00 0.00 179.01 179.34 2o3f h ILE 42 N -0.19 1.26 -0.56 3.13 6.09 -1.12 0.02 117.51 126.14 2o3f h ILE 42 Ca 0.02 -1.24 -0.11 0.00 -1.37 0.00 0.00 64.86 62.16 2o3f h ILE 42 Cb 0.55 1.27 -0.02 0.00 0.47 0.00 0.00 36.82 39.08 2o3f h ILE 42 CO 0.02 0.40 -0.06 0.77 -3.07 0.00 0.00 178.15 176.20 2o3f h SER 43 N 0.50 1.02 -0.41 2.19 4.64 -1.22 -1.51 113.55 118.77 2o3f h SER 43 Ca 0.08 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 2o3f h SER 43 Cb 0.65 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2o3f h SER 43 CO 0.05 1.10 0.18 0.00 -0.87 0.00 0.00 176.83 177.29 2o3f h ALA 44 N 0.99 0.52 -0.50 5.18 0.00 -1.01 0.87 119.26 125.32 2o3f h ALA 44 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2o3f h ALA 44 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2o3f h ALA 44 CO 0.04 0.11 0.21 -0.07 0.00 0.00 0.00 179.25 179.53 2o3f h LEU 45 N 0.51 0.65 -1.17 0.00 3.38 -0.80 -1.75 115.31 116.13 2o3f h LEU 45 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2o3f h LEU 45 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2o3f h LEU 45 CO -0.01 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.09 2o3f n ALA 46 N -2.46 2.54 -3.81 1.53 0.00 -0.58 -4.94 120.51 112.78 2o3f n ALA 46 Ca 0.04 -0.52 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 2o3f n ALA 46 Cb 0.15 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.53 2o3f n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2o3f n ASN 47 N 0.39 -3.40 0.00 0.00 5.15 -0.66 -4.64 115.26 112.10 2o3f n ASN 47 Ca 0.18 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.12 2o3f n ASN 47 Cb 0.38 -3.13 0.00 0.00 -0.53 0.00 0.00 39.78 36.49 2o3f n ASN 47 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2o3f n SER 48 N -2.74 0.46 -4.38 1.20 2.88 0.24 -5.04 113.62 106.24 2o3f n SER 48 Ca -0.17 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.17 2o3f n SER 48 Cb 0.62 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 2o3f n SER 48 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2o3f s SER 49 N 1.00 2.37 0.25 -3.46 1.04 -1.26 -4.61 113.70 109.02 2o3f s SER 49 Ca 0.00 -1.19 -0.06 0.00 0.48 0.00 0.00 55.95 55.18 2o3f s SER 49 Cb 0.00 -0.09 0.26 0.00 0.10 0.00 0.00 66.02 66.29 2o3f s SER 49 CO 0.00 -0.40 1.93 0.44 0.98 0.00 0.00 173.24 176.18 2o3f h ASP 50 N 2.37 1.15 -0.46 7.02 3.32 -1.93 -2.45 116.42 125.45 2o3f h ASP 50 Ca -0.39 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 2o3f h ASP 50 Cb 1.23 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2o3f h ASP 50 CO 0.66 0.84 0.15 0.00 -1.72 0.00 0.00 179.24 179.17 2o3f h ALA 51 N 1.37 1.29 -0.15 3.45 0.00 -1.98 -2.45 119.26 120.79 2o3f h ALA 51 Ca 0.37 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2o3f h ALA 51 Cb -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2o3f h ALA 51 CO -0.08 0.50 -0.34 0.00 0.00 0.00 0.00 179.25 179.34 2o3f h ALA 52 N 1.41 1.15 -0.25 0.00 0.00 -1.83 -0.26 119.26 119.48 2o3f h ALA 52 Ca 0.17 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2o3f h ALA 52 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2o3f h ALA 52 CO -0.01 0.55 0.05 0.28 0.00 0.00 0.00 179.25 180.13 2o3f h VAL 53 N 0.26 1.22 -0.20 0.00 2.07 -1.13 0.15 116.25 118.62 2o3f h VAL 53 Ca 0.03 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2o3f h VAL 53 Cb 0.73 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2o3f h VAL 53 CO 0.06 0.23 0.10 0.40 0.02 0.00 0.00 177.57 178.38 2o3f h ILE 54 N 0.22 1.12 -0.72 4.57 1.08 -1.07 -1.87 117.51 120.85 2o3f h ILE 54 Ca 0.08 -0.35 0.07 0.00 -0.39 0.00 0.00 64.86 64.27 2o3f h ILE 54 Cb 0.30 0.98 -0.06 0.00 -3.07 0.00 0.00 36.82 34.97 2o3f h ILE 54 CO 0.00 0.12 0.40 0.03 -0.69 0.00 0.00 178.15 178.01 2o3f h ARG 55 N 0.21 0.69 -0.53 2.37 3.08 -1.04 -2.33 114.38 116.83 2o3f h ARG 55 Ca 0.07 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.15 2o3f h ARG 55 Cb 0.10 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 2o3f h ARG 55 CO -0.01 0.46 0.19 1.25 -1.07 0.00 0.00 179.97 180.79 2o3f h LEU 56 N 0.71 0.20 -1.06 3.04 5.85 -0.44 0.12 115.31 123.72 2o3f h LEU 56 Ca 0.33 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2o3f h LEU 56 Cb 0.25 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2o3f h LEU 56 CO -0.21 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.02 2o3f n SER 59 N 0.46 0.00 -0.37 0.00 7.64 0.41 -1.40 113.62 120.35 2o3f n SER 59 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2o3f n SER 59 Cb 0.04 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 63.86 2o3f n SER 59 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2o3f n LEU 60 N 0.00 1.17 -0.22 -3.43 4.77 -0.95 -4.93 117.00 113.41 2o3f n LEU 60 Ca 0.00 -0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 55.56 2o3f n LEU 60 Cb 0.00 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2o3f n LEU 60 CO 0.00 0.20 -0.03 0.61 -1.33 0.00 0.00 177.39 176.84 2o3f n GLY 61 N 1.13 0.53 3.94 -0.72 0.00 -1.06 -5.05 105.19 103.97 2o3f n GLY 61 Ca 0.20 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 2o3f n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o3f s LEU 62 N -0.63 4.24 0.28 0.99 1.43 -0.50 -5.01 118.68 119.48 2o3f s LEU 62 Ca 0.00 0.27 0.26 0.00 -1.03 0.00 0.00 54.13 53.63 2o3f s LEU 62 Cb 0.00 -3.06 0.86 0.00 0.03 0.00 0.00 46.19 44.02 2o3f s LEU 62 CO 0.00 -0.07 1.76 0.11 0.23 0.00 0.00 176.35 178.37 2o3f h LYS 63 N 1.59 0.00 0.00 1.70 1.79 -1.96 -3.47 116.57 116.22 2o3f h LYS 63 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2o3f h LYS 63 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2o3f h LYS 63 CO 0.65 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.43 2o3f n GLY 64 N 0.78 -0.86 0.18 3.86 0.00 -1.26 -4.96 105.19 102.92 2o3f n GLY 64 Ca 0.04 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 2o3f n GLY 64 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2o3f h PHE 65 N 0.00 0.61 -0.74 1.61 3.57 -1.94 -2.25 116.94 117.80 2o3f h PHE 65 Ca 0.00 -0.28 0.07 0.00 3.53 0.00 0.00 57.97 61.29 2o3f h PHE 65 Cb 0.00 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 2o3f h PHE 65 CO 0.00 1.05 0.42 1.96 -2.23 0.00 0.00 178.31 179.52 2o3f h GLN 66 N 0.30 0.74 -0.49 1.11 1.08 -1.98 -2.41 115.11 113.45 2o3f h GLN 66 Ca -0.04 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2o3f h GLN 66 Cb 1.35 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 2o3f h GLN 66 CO 0.13 0.49 0.32 0.22 -0.95 0.00 0.00 178.83 179.04 2o3f h ASP 67 N 0.76 0.56 -0.01 1.46 3.58 -1.86 -3.42 116.42 117.48 2o3f h ASP 67 Ca 0.34 -0.01 -0.48 0.00 0.42 0.00 0.00 57.03 57.29 2o3f h ASP 67 Cb 0.24 -0.14 0.12 0.00 1.72 0.00 0.00 39.33 41.27 2o3f h ASP 67 CO -0.20 0.40 1.14 -0.11 -2.88 0.00 0.00 179.24 177.59 2o3f n LEU 68 N -4.75 0.97 0.00 2.28 0.00 -0.87 -4.58 117.00 110.05 2o3f n LEU 68 Ca 0.02 -1.62 0.00 0.00 0.00 0.00 0.00 56.01 54.41 2o3f n LEU 68 Cb 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 43.42 42.77 2o3f n LEU 68 CO 0.35 -2.22 0.00 0.54 0.00 0.00 0.00 177.39 176.05 2o3f n ARG 71 N 7.87 0.00 -0.03 1.96 1.74 -1.26 -4.62 116.66 122.33 2o3f n ARG 71 Ca 0.44 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.40 2o3f n ARG 71 Cb 0.42 -0.50 -0.07 0.00 -1.02 0.00 0.00 32.46 31.29 2o3f n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2o3f h VAL 72 N 0.00 1.27 -0.97 1.55 2.07 -1.87 -2.41 116.25 115.89 2o3f h VAL 72 Ca 0.00 -0.84 0.15 0.00 0.82 0.00 0.00 66.70 66.83 2o3f h VAL 72 Cb 0.00 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 2o3f h VAL 72 CO 0.00 0.23 0.58 0.00 0.02 0.00 0.00 177.57 178.40 2o3f h ALA 73 N 0.71 1.51 -1.00 1.67 0.00 -1.91 -0.64 119.26 119.61 2o3f h ALA 73 Ca 0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2o3f h ALA 73 Cb 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2o3f h ALA 73 CO 0.01 0.06 0.66 0.78 0.00 0.00 0.00 179.25 180.75 2o3f h GLY 74 N 0.83 1.41 1.09 0.00 0.00 -1.65 -1.02 103.07 103.74 2o3f h GLY 74 Ca 0.52 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2o3f h GLY 74 CO -0.33 0.49 -0.25 -0.55 0.00 0.00 0.00 176.54 175.91 2o3f h ASP 75 N 1.33 0.98 0.48 0.19 3.32 -0.81 -3.03 116.42 118.88 2o3f h ASP 75 Ca 0.37 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2o3f h ASP 75 Cb -0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 2o3f h ASP 75 CO -0.09 1.18 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.37 2o3f h LEU 76 N 0.79 0.00 -1.48 1.55 3.38 -0.61 -2.08 115.31 116.86 2o3f h LEU 76 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2o3f h LEU 76 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2o3f h LEU 76 CO 0.07 0.17 -0.27 0.00 0.09 0.00 0.00 178.44 178.51 2o3f h ALA 77 N 1.83 1.45 -2.65 1.53 0.00 -1.07 -3.38 119.26 116.96 2o3f h ALA 77 Ca -0.00 -0.24 -0.49 0.00 0.00 0.00 0.00 54.91 54.18 2o3f h ALA 77 Cb 0.46 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2o3f h ALA 77 CO 0.02 0.33 0.40 0.15 0.00 0.00 0.00 179.25 180.15 2o3f s LYS 78 N -4.31 4.61 0.37 0.00 1.02 -0.78 -4.91 119.74 115.73 2o3f s LYS 78 Ca -0.03 1.55 0.09 0.00 0.02 0.00 0.00 55.97 57.60 2o3f s LYS 78 Cb 0.14 -3.01 0.83 0.00 -0.52 0.00 0.00 37.83 35.28 2o3f s LYS 78 CO 0.69 0.26 1.89 -1.00 -0.92 0.00 0.00 175.35 176.27 2o3f h PRO 79 N 3.53 0.65 -1.16 -1.68 0.13 -1.88 0.43 132.00 132.03 2o3f h PRO 79 Ca -0.46 -0.04 0.34 0.00 -0.87 0.00 0.00 66.00 64.96 2o3f h PRO 79 Cb 1.20 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2o3f h PRO 79 CO 0.66 0.43 0.93 1.15 -0.23 0.00 0.00 178.00 180.93 2o3f h THR 80 N 0.67 0.29 0.00 1.56 2.02 -1.93 -2.77 112.91 112.75 2o3f h THR 80 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 2o3f h THR 80 Cb 0.64 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2o3f h THR 80 CO -0.17 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.21 2o3f n PHE 81 N -3.94 0.00 -3.15 3.16 3.72 -0.03 -5.04 117.46 112.18 2o3f n PHE 81 Ca 0.25 -0.06 -0.35 0.00 -0.05 0.00 0.00 57.45 57.24 2o3f n PHE 81 Cb 1.30 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 39.78 2o3f n PHE 81 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2o3f s GLN 82 N -0.13 4.16 0.00 -1.08 -0.21 -0.18 -4.79 119.66 117.43 2o3f s GLN 82 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 55.36 56.15 2o3f s GLN 82 Cb 0.00 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.20 2o3f s GLN 82 CO 0.00 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 173.95