#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 -0.51 0.00 -2.24 -1.26 -4.03 114.28 106.24 2o3f n THR 3 Ca 0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2o3f n THR 3 Cb 0.00 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.21 0.75 0.28 3.38 0.00 -1.22 -4.77 105.19 103.40 2o3f n GLY 4 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 1.03 1.27 -0.02 0.00 -1.77 -0.25 103.07 103.32 2o3f h GLY 5 Ca 0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 2o3f h GLY 5 CO 0.00 0.46 -0.60 1.41 0.00 0.00 0.00 176.54 177.81 2o3f h LEU 6 N 0.93 0.85 -0.22 3.11 3.38 -1.86 -2.46 115.31 119.04 2o3f h LEU 6 Ca 0.24 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2o3f h LEU 6 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2o3f h LEU 6 CO -0.03 1.26 0.07 0.00 0.09 0.00 0.00 178.44 179.82 2o3f h ALA 7 N 0.75 0.29 -0.96 1.53 0.00 -1.90 -0.85 119.26 118.13 2o3f h ALA 7 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2o3f h ALA 7 Cb 1.20 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2o3f h ALA 7 CO 0.13 -0.08 0.58 -0.84 0.00 0.00 0.00 179.25 179.04 2o3f h ILE 8 N 0.19 1.26 -0.24 0.00 3.07 -1.07 -0.64 117.51 120.08 2o3f h ILE 8 Ca 0.07 -0.56 -0.07 0.00 1.55 0.00 0.00 64.86 65.85 2o3f h ILE 8 Cb 0.23 -0.09 -0.01 0.00 -0.27 0.00 0.00 36.82 36.68 2o3f h ILE 8 CO -0.00 0.27 -0.12 0.40 -1.05 0.00 0.00 178.15 177.65 2o3f h ILE 9 N 1.32 1.30 -0.44 0.16 2.04 -1.35 -3.23 117.51 117.31 2o3f h ILE 9 Ca 0.34 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2o3f h ILE 9 Cb -0.06 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2o3f h ILE 9 CO -0.07 0.37 0.27 -0.61 0.00 0.00 0.00 178.15 178.12 2o3f h GLN 10 N 0.21 0.53 -4.34 2.37 5.75 -0.90 -3.46 115.11 115.28 2o3f h GLN 10 Ca 0.05 -0.03 -0.48 0.00 -0.15 0.00 0.00 58.65 58.04 2o3f h GLN 10 Cb 0.62 -0.12 0.06 0.00 1.07 0.00 0.00 27.48 29.11 2o3f h GLN 10 CO 0.04 0.35 1.92 -1.13 -2.65 0.00 0.00 178.83 177.36 2o3f n SER 11 N -4.82 2.21 -3.55 -0.69 3.41 -0.27 -5.10 113.62 104.81 2o3f n SER 11 Ca 0.02 -2.46 -0.23 0.00 -0.26 0.00 0.00 58.87 55.94 2o3f n SER 11 Cb 0.05 -0.85 0.05 0.00 -0.26 0.00 0.00 64.21 63.19 2o3f n SER 11 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2o3f n HIS 14 N 6.86 -2.08 -0.87 7.33 8.25 -1.26 -5.10 115.22 128.35 2o3f n HIS 14 Ca 0.40 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.57 2o3f n HIS 14 Cb 0.29 -4.00 0.00 0.00 1.12 0.00 0.00 29.99 27.40 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 -3.93 -1.59 -4.70 2.41 4.77 -1.26 -5.20 117.00 107.50 2o3f n LEU 16 Ca -0.16 1.67 -0.33 0.00 -0.03 0.00 0.00 56.01 57.16 2o3f n LEU 16 Cb 0.63 -1.20 0.13 0.00 -2.33 0.00 0.00 43.42 40.65 2o3f n LEU 16 CO 0.65 0.17 0.76 -2.84 -1.33 0.00 0.00 177.39 174.80 2o3f s PRO 17 N -4.77 1.61 0.25 3.23 0.02 -1.26 -4.57 135.00 129.50 2o3f s PRO 17 Ca 0.00 1.72 -0.06 0.00 0.02 0.00 0.00 61.00 62.69 2o3f s PRO 17 Cb 0.00 -1.78 0.46 0.00 0.02 0.00 0.00 34.50 33.21 2o3f s PRO 17 CO 0.00 -2.23 1.64 -1.35 -0.33 0.00 0.00 177.00 174.73 2o3f h PRO 18 N -0.97 0.13 -0.22 5.54 0.11 -2.03 0.60 132.00 135.15 2o3f h PRO 18 Ca -0.46 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2o3f h PRO 18 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2o3f h PRO 18 CO 0.46 0.09 -0.39 0.66 -0.21 0.00 0.00 178.00 178.60 2o3f h SER 19 N 0.13 0.52 0.37 -2.05 4.64 -1.98 -1.10 113.55 114.08 2o3f h SER 19 Ca 0.42 -0.22 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 2o3f h SER 19 Cb 0.76 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2o3f h SER 19 CO -0.64 0.86 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.24 2o3f h GLU 20 N 0.41 0.24 -0.38 4.77 3.07 -1.63 -3.19 114.58 117.88 2o3f h GLU 20 Ca 0.04 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 2o3f h GLU 20 Cb 0.87 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 2o3f h GLU 20 CO 0.07 0.78 0.09 -0.09 -1.40 0.00 0.00 179.01 178.46 2o3f h ARG 21 N 0.18 0.60 -0.91 2.33 1.12 -0.21 -1.02 114.38 116.48 2o3f h ARG 21 Ca -0.01 -0.15 0.04 0.00 -1.11 0.00 0.00 59.98 58.75 2o3f h ARG 21 Cb 1.12 -0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.95 2o3f h ARG 21 CO 0.10 0.64 0.59 0.87 -3.11 0.00 0.00 179.97 179.05 2o3f h LYS 22 N 0.46 1.10 -0.23 0.20 1.57 -1.28 -0.17 116.57 118.22 2o3f h LYS 22 Ca 0.12 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2o3f h LYS 22 Cb 0.31 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2o3f h LYS 22 CO 0.00 0.73 0.04 -0.07 -0.57 0.00 0.00 179.45 179.58 2o3f h LEU 23 N 1.13 0.35 -1.16 2.94 3.38 -1.48 -2.29 115.31 118.19 2o3f h LEU 23 Ca 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2o3f h LEU 23 Cb 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2o3f h LEU 23 CO -0.12 0.51 0.31 0.00 0.09 0.00 0.00 178.44 179.23 2o3f h ALA 24 N 0.85 1.35 -0.59 1.53 0.00 -0.64 -1.56 119.26 120.20 2o3f h ALA 24 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2o3f h ALA 24 Cb 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2o3f h ALA 24 CO 0.00 0.51 -0.03 -0.44 0.00 0.00 0.00 179.25 179.30 2o3f h ASP 25 N 0.90 1.03 -0.22 0.00 3.32 -0.92 -1.12 116.42 119.41 2o3f h ASP 25 Ca 0.22 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2o3f h ASP 25 Cb 0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2o3f h ASP 25 CO -0.03 1.09 -0.03 0.22 -1.72 0.00 0.00 179.24 178.77 2o3f h TYR 26 N 0.95 0.45 -0.42 4.55 3.20 -0.96 -1.49 116.97 123.25 2o3f h TYR 26 Ca 0.16 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2o3f h TYR 26 Cb 0.58 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2o3f h TYR 26 CO 0.04 0.63 0.22 0.82 -1.64 0.00 0.00 178.16 178.23 2o3f h ILE 27 N 0.14 1.16 -0.57 1.81 2.04 -1.22 0.24 117.51 121.12 2o3f h ILE 27 Ca 0.06 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 2o3f h ILE 27 Cb 0.47 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2o3f h ILE 27 CO 0.02 0.17 0.18 -0.07 0.00 0.00 0.00 178.15 178.45 2o3f h LEU 28 N 0.54 0.78 -0.43 1.44 3.38 -1.18 -1.07 115.31 118.78 2o3f h LEU 28 Ca 0.15 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2o3f h LEU 28 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2o3f h LEU 28 CO -0.02 0.73 -0.75 0.00 0.09 0.00 0.00 178.44 178.49 2o3f h ALA 29 N 1.38 0.63 -2.09 1.53 0.00 -0.76 -3.39 119.26 116.56 2o3f h ALA 29 Ca 0.19 -0.63 -0.53 0.00 0.00 0.00 0.00 54.91 53.94 2o3f h ALA 29 Cb 0.23 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.55 2o3f h ALA 29 CO -0.01 0.80 -1.00 0.72 0.00 0.00 0.00 179.25 179.76 2o3f n HIS 30 N -3.79 1.36 0.12 0.00 8.25 0.81 -4.96 115.22 117.01 2o3f n HIS 30 Ca -0.04 -3.86 -0.00 0.00 -0.26 0.00 0.00 57.72 53.56 2o3f n HIS 30 Cb 0.72 -0.44 0.28 0.00 1.12 0.00 0.00 29.99 31.67 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 3.18 0.19 -1.11 -0.41 0.13 -1.41 -1.11 132.00 131.46 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 31.94 2o3f h PRO 31 CO 0.60 0.52 0.00 0.72 -0.23 0.00 0.00 178.00 179.61 2o3f n HIS 32 N -4.09 0.00 0.00 1.56 8.25 -1.26 -2.17 115.22 117.51 2o3f n HIS 32 Ca -0.01 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2o3f n HIS 32 Cb 0.42 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 0.70 0.00 0.61 -1.41 0.00 -0.42 -3.49 120.51 116.50 2o3f n ALA 34 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2o3f n ALA 34 Cb 0.06 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.97 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 0.61 -1.59 0.00 -5.35 -0.92 -2.18 119.36 109.93 2o3f n ILE 35 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 2o3f n ILE 35 Cb 0.00 -0.80 0.16 0.00 -1.74 0.00 0.00 39.64 37.25 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 -2.01 2.20 -4.61 6.28 0.28 -1.23 -5.03 120.64 116.52 2o3f n GLU 36 Ca 0.04 -3.42 -0.30 0.00 -0.16 0.00 0.00 57.16 53.33 2o3f n GLU 36 Cb 0.32 -1.91 -0.14 0.00 1.43 0.00 0.00 31.44 31.14 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 -2.83 3.28 0.86 -1.84 0.01 -0.93 -5.12 113.70 107.13 2o3f s SER 37 Ca 0.46 -0.67 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 2o3f s SER 37 Cb 0.41 -0.26 0.10 0.00 0.21 0.00 0.00 66.02 66.48 2o3f s SER 37 CO -0.01 0.21 1.13 0.42 0.41 0.00 0.00 173.24 175.40 2o3f s THR 38 N -0.95 2.41 0.19 1.44 -4.23 -1.26 -4.88 115.64 108.36 2o3f s THR 38 Ca 0.13 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 2o3f s THR 38 Cb -0.10 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.93 2o3f s THR 38 CO 0.04 -0.17 1.81 0.58 -0.54 0.00 0.00 174.62 176.34 2o3f h VAL 39 N -1.29 1.01 -0.59 2.29 2.07 -1.99 -1.19 116.25 116.56 2o3f h VAL 39 Ca -0.49 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2o3f h VAL 39 Cb 1.31 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2o3f h VAL 39 CO 0.62 0.12 0.39 0.78 0.02 0.00 0.00 177.57 179.49 2o3f h ASN 40 N 0.65 0.66 -0.08 0.57 -0.26 -1.97 -0.84 115.58 114.31 2o3f h ASN 40 Ca 0.25 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.96 2o3f h ASN 40 Cb 0.10 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 2o3f h ASN 40 CO -0.14 0.48 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.36 2o3f h GLU 41 N 0.79 0.16 -0.50 0.81 5.08 -1.86 -2.37 114.58 116.69 2o3f h GLU 41 Ca 0.22 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2o3f h GLU 41 Cb -0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2o3f h GLU 41 CO -0.06 0.49 0.11 0.97 -1.00 0.00 0.00 179.01 179.52 2o3f h ILE 42 N -0.17 1.22 -0.37 3.13 6.09 -1.11 0.70 117.51 127.00 2o3f h ILE 42 Ca 0.02 -0.79 -0.15 0.00 -1.37 0.00 0.00 64.86 62.57 2o3f h ILE 42 Cb 0.43 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 2o3f h ILE 42 CO 0.01 0.29 -0.36 0.77 -3.07 0.00 0.00 178.15 175.79 2o3f h SER 43 N 0.74 0.91 -0.44 2.19 4.64 -1.11 -1.08 113.55 119.40 2o3f h SER 43 Ca 0.16 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 2o3f h SER 43 Cb 0.29 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2o3f h SER 43 CO -0.00 1.17 0.20 0.00 -0.87 0.00 0.00 176.83 177.32 2o3f h ALA 44 N 0.88 0.57 -0.53 5.18 0.00 -0.99 0.11 119.26 124.49 2o3f h ALA 44 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2o3f h ALA 44 Cb 0.92 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2o3f h ALA 44 CO 0.09 0.15 0.25 -0.07 0.00 0.00 0.00 179.25 179.67 2o3f h LEU 45 N 0.57 0.66 -0.44 0.00 3.38 -0.61 -2.32 115.31 116.56 2o3f h LEU 45 Ca 0.15 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2o3f h LEU 45 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2o3f h LEU 45 CO -0.02 0.57 -0.08 0.00 0.09 0.00 0.00 178.44 179.01 2o3f n ALA 46 N -2.46 2.73 -3.94 1.53 0.00 -0.43 -4.92 120.51 113.02 2o3f n ALA 46 Ca 0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 2o3f n ALA 46 Cb 0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.59 -1.96 0.00 0.00 5.15 -0.81 -4.64 115.26 112.40 2o3f n ASN 47 Ca 0.17 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 2o3f n ASN 47 Cb 0.28 -2.79 0.00 0.00 -0.53 0.00 0.00 39.78 36.74 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 -2.78 0.44 -4.36 1.20 2.88 0.33 -5.04 113.62 106.29 2o3f n SER 48 Ca -0.23 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.13 2o3f n SER 48 Cb 0.65 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.00 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 2.13 0.21 -3.46 1.04 -1.26 -4.63 113.70 108.73 2o3f s SER 49 Ca 0.00 -1.21 -0.10 0.00 0.48 0.00 0.00 55.95 55.12 2o3f s SER 49 Cb 0.00 -0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.23 2o3f s SER 49 CO 0.00 -0.46 1.88 0.44 0.98 0.00 0.00 173.24 176.08 2o3f h ASP 50 N 2.41 0.87 -0.66 7.02 3.32 -1.93 -2.53 116.42 124.92 2o3f h ASP 50 Ca -0.39 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 2o3f h ASP 50 Cb 1.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 2o3f h ASP 50 CO 0.65 0.63 0.35 0.00 -1.72 0.00 0.00 179.24 179.15 2o3f h ALA 51 N 1.28 1.34 -0.22 3.45 0.00 -1.98 -2.42 119.26 120.70 2o3f h ALA 51 Ca 0.28 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2o3f h ALA 51 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2o3f h ALA 51 CO -0.06 0.53 -0.17 0.00 0.00 0.00 0.00 179.25 179.55 2o3f h ALA 52 N 1.43 1.30 -0.34 0.00 0.00 -1.85 -0.49 119.26 119.31 2o3f h ALA 52 Ca 0.24 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2o3f h ALA 52 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2o3f h ALA 52 CO -0.04 0.47 0.05 0.28 0.00 0.00 0.00 179.25 180.01 2o3f h VAL 53 N 0.35 1.24 -0.24 0.00 2.07 -1.06 0.18 116.25 118.78 2o3f h VAL 53 Ca 0.06 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2o3f h VAL 53 Cb 0.51 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2o3f h VAL 53 CO 0.03 0.28 0.12 0.40 0.02 0.00 0.00 177.57 178.42 2o3f h ILE 54 N 0.40 1.14 -0.81 4.57 1.08 -1.09 -2.10 117.51 120.70 2o3f h ILE 54 Ca 0.10 -0.41 0.10 0.00 -0.39 0.00 0.00 64.86 64.26 2o3f h ILE 54 Cb 0.37 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 35.01 2o3f h ILE 54 CO 0.01 0.14 0.45 0.03 -0.69 0.00 0.00 178.15 178.09 2o3f h ARG 55 N 0.26 0.73 -0.14 2.37 3.08 -1.05 -2.60 114.38 117.02 2o3f h ARG 55 Ca 0.08 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.12 2o3f h ARG 55 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2o3f h ARG 55 CO -0.01 0.48 -0.02 1.25 -1.07 0.00 0.00 179.97 180.60 2o3f h LEU 56 N 0.75 -0.09 -1.01 3.04 5.85 -0.36 0.14 115.31 123.63 2o3f h LEU 56 Ca 0.40 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2o3f h LEU 56 Cb 0.39 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2o3f h LEU 56 CO -0.26 -0.03 0.00 0.00 -0.34 0.00 0.00 178.44 177.81 2o3f n SER 59 N 0.49 0.00 -0.22 0.00 7.64 0.50 -1.20 113.62 120.83 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 0.00 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.81 0.00 -3.43 4.77 -0.88 -4.93 117.00 113.34 2o3f n LEU 60 Ca 0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2o3f n LEU 60 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2o3f n LEU 60 CO 0.00 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2o3f n GLY 61 N 1.27 0.44 3.93 -0.72 0.00 -0.95 -5.05 105.19 104.11 2o3f n GLY 61 Ca 0.15 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 4.24 0.38 0.99 1.43 -0.34 -5.01 118.68 120.37 2o3f s LEU 62 Ca 0.00 0.34 0.27 0.00 -1.03 0.00 0.00 54.13 53.71 2o3f s LEU 62 Cb 0.00 -3.11 0.96 0.00 0.03 0.00 0.00 46.19 44.08 2o3f s LEU 62 CO 0.00 -0.04 1.80 0.11 0.23 0.00 0.00 176.35 178.45 2o3f h LYS 63 N 1.94 0.00 0.00 1.70 1.79 -1.96 -3.47 116.57 116.57 2o3f h LYS 63 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2o3f h LYS 63 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2o3f h LYS 63 CO 0.67 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.45 2o3f n GLY 64 N 0.45 -0.88 0.18 3.86 0.00 -1.26 -4.97 105.19 102.57 2o3f n GLY 64 Ca 0.03 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 0.50 -0.58 1.61 3.57 -1.94 -1.78 116.94 118.32 2o3f h PHE 65 Ca 0.00 -0.20 0.07 0.00 3.53 0.00 0.00 57.97 61.36 2o3f h PHE 65 Cb 0.00 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 2o3f h PHE 65 CO 0.00 0.93 0.27 1.96 -2.23 0.00 0.00 178.31 179.24 2o3f h GLN 66 N 0.27 0.49 -0.38 1.11 1.08 -1.98 -2.67 115.11 113.03 2o3f h GLN 66 Ca -0.02 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2o3f h GLN 66 Cb 1.21 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 2o3f h GLN 66 CO 0.11 0.32 0.22 0.22 -0.95 0.00 0.00 178.83 178.76 2o3f h ASP 67 N 0.50 0.37 -0.02 1.46 3.58 -1.84 -3.42 116.42 117.04 2o3f h ASP 67 Ca 0.27 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.39 2o3f h ASP 67 Cb 0.25 -0.08 0.08 0.00 1.72 0.00 0.00 39.33 41.30 2o3f h ASP 67 CO -0.22 0.27 0.86 -0.11 -2.88 0.00 0.00 179.24 177.15 2o3f n LEU 68 N -4.87 0.79 0.00 2.28 0.00 -0.71 -4.56 117.00 109.93 2o3f n LEU 68 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 56.01 54.30 2o3f n LEU 68 Cb 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2o3f n LEU 68 CO 0.33 -2.42 0.00 0.54 0.00 0.00 0.00 177.39 175.84 2o3f n ARG 71 N 7.49 0.00 0.00 1.96 1.74 -1.26 -4.64 116.66 121.96 2o3f n ARG 71 Ca 0.39 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.35 2o3f n ARG 71 Cb 0.42 -0.35 -0.08 0.00 -1.02 0.00 0.00 32.46 31.43 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 1.21 -0.85 1.55 2.07 -1.87 -2.39 116.25 115.96 2o3f h VAL 72 Ca 0.00 -0.62 0.16 0.00 0.82 0.00 0.00 66.70 67.06 2o3f h VAL 72 Cb 0.00 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.26 2o3f h VAL 72 CO 0.00 0.16 0.43 0.00 0.02 0.00 0.00 177.57 178.19 2o3f h ALA 73 N 0.75 1.30 -0.92 1.67 0.00 -1.92 -0.16 119.26 119.99 2o3f h ALA 73 Ca 0.01 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2o3f h ALA 73 Cb 0.26 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2o3f h ALA 73 CO 0.00 -0.12 0.60 0.78 0.00 0.00 0.00 179.25 180.51 2o3f h GLY 74 N 0.59 1.33 1.03 0.00 0.00 -1.67 -0.96 103.07 103.41 2o3f h GLY 74 Ca 0.48 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2o3f h GLY 74 CO -0.38 0.41 -0.12 -0.55 0.00 0.00 0.00 176.54 175.90 2o3f h ASP 75 N 1.18 0.89 0.38 0.19 3.32 -0.80 -2.99 116.42 118.59 2o3f h ASP 75 Ca 0.36 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2o3f h ASP 75 Cb -0.03 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2o3f h ASP 75 CO -0.11 1.05 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.28 2o3f h LEU 76 N 0.72 0.00 -1.12 1.55 3.38 -0.40 -2.22 115.31 117.21 2o3f h LEU 76 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2o3f h LEU 76 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2o3f h LEU 76 CO 0.05 0.12 -0.42 0.00 0.09 0.00 0.00 178.44 178.27 2o3f h ALA 77 N 1.88 1.27 -2.78 1.53 0.00 -1.05 -3.41 119.26 116.70 2o3f h ALA 77 Ca -0.00 -0.39 -0.50 0.00 0.00 0.00 0.00 54.91 54.01 2o3f h ALA 77 Cb 0.34 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2o3f h ALA 77 CO 0.02 0.54 0.48 0.15 0.00 0.00 0.00 179.25 180.43 2o3f s LYS 78 N -4.07 4.57 0.32 0.00 1.02 -0.84 -4.96 119.74 115.78 2o3f s LYS 78 Ca -0.03 1.80 0.09 0.00 0.02 0.00 0.00 55.97 57.86 2o3f s LYS 78 Cb 0.14 -3.11 0.87 0.00 -0.52 0.00 0.00 37.83 35.21 2o3f s LYS 78 CO 0.74 0.15 1.74 -1.35 -0.92 0.00 0.00 175.35 175.71 2o3f h PRO 79 N 3.64 0.59 -1.12 -1.68 0.11 -1.88 -0.69 132.00 130.98 2o3f h PRO 79 Ca -0.47 -0.04 0.32 0.00 0.11 0.00 0.00 66.00 65.93 2o3f h PRO 79 Cb 1.21 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2o3f h PRO 79 CO 0.66 0.39 0.81 1.15 -0.21 0.00 0.00 178.00 180.81 2o3f h THR 80 N 0.61 0.42 0.00 -1.15 2.02 -1.93 -2.97 112.91 109.92 2o3f h THR 80 Ca 0.62 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.80 2o3f h THR 80 Cb 1.17 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2o3f h THR 80 CO -0.44 0.00 -0.01 0.49 0.37 0.00 0.00 175.52 175.93 2o3f n PHE 81 N -4.17 0.00 -4.25 3.16 3.72 -0.28 -5.02 117.46 110.62 2o3f n PHE 81 Ca 0.24 -0.76 -0.32 0.00 -0.05 0.00 0.00 57.45 56.56 2o3f n PHE 81 Cb 1.19 -0.10 -0.09 0.00 -0.94 0.00 0.00 39.48 39.54 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 -2.01 2.68 0.00 -1.08 -0.21 -1.12 -4.77 119.66 113.14 2o3f s GLN 82 Ca 0.18 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.86 2o3f s GLN 82 Cb 0.16 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.56 2o3f s GLN 82 CO 0.02 0.59 0.50 0.41 -2.12 0.00 0.00 175.29 174.69