#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fau s SER 10 N 0.00 0.33 -0.26 1.61 0.01 -1.26 -4.30 113.70 109.83 3fau s SER 10 Ca 0.00 0.47 -0.25 0.00 1.31 0.00 0.00 55.95 57.48 3fau s SER 10 Cb 0.00 0.47 -0.00 0.00 0.21 0.00 0.00 66.02 66.70 3fau s SER 10 CO 0.00 -0.22 0.86 -0.22 0.41 0.00 0.00 173.24 174.07 3fau s LEU 11 N 2.07 4.07 -0.43 2.44 2.96 0.02 -4.94 118.68 124.86 3fau s LEU 11 Ca -0.01 0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 54.81 3fau s LEU 11 Cb -0.12 -3.22 0.09 0.00 0.50 0.00 0.00 46.19 43.45 3fau s LEU 11 CO -0.07 -0.58 0.28 -0.62 -1.32 0.00 0.00 176.35 174.04 3fau s ASP 12 N 1.41 5.61 0.00 3.68 -1.08 -1.26 -0.02 116.67 125.00 3fau s ASP 12 Ca 0.36 -1.68 0.23 0.00 -0.52 0.00 0.00 52.55 50.94 3fau s ASP 12 Cb -0.15 -1.98 0.11 0.00 -1.46 0.00 0.00 42.92 39.44 3fau s ASP 12 CO 0.09 -0.58 1.17 0.18 0.52 0.00 0.00 175.17 176.54 3fau n LEU 13 N 4.88 2.11 -4.68 -1.34 4.77 0.53 -4.96 117.00 118.31 3fau n LEU 13 Ca -0.09 -0.76 -0.49 0.00 -0.03 0.00 0.00 56.01 54.65 3fau n LEU 13 Cb 0.42 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 3fau n LEU 13 CO 0.40 0.38 1.43 1.57 -1.33 0.00 0.00 177.39 179.83 3fau n HIS 14 N 0.17 2.29 -0.04 -1.77 -0.00 -1.19 -2.04 115.22 112.64 3fau n HIS 14 Ca 0.10 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.37 3fau n HIS 14 Cb 0.48 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.72 3fau n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3fau n GLY 15 N 4.21 1.00 3.82 1.57 0.00 -1.26 -5.01 105.19 109.52 3fau n GLY 15 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3fau n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fau s LEU 16 N 0.00 3.25 0.62 0.99 1.43 -0.87 -5.05 118.68 119.06 3fau s LEU 16 Ca 0.00 1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 54.58 3fau s LEU 16 Cb 0.00 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 3fau s LEU 16 CO 0.00 -1.29 1.13 -1.00 0.23 0.00 0.00 176.35 175.42 3fau s HIS 17 N -2.90 2.59 0.19 0.29 3.76 -1.26 -4.87 115.29 113.10 3fau s HIS 17 Ca 0.59 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.93 3fau s HIS 17 Cb -0.14 -3.24 0.14 0.00 1.11 0.00 0.00 32.58 30.45 3fau s HIS 17 CO 0.49 -1.73 1.84 0.28 -0.85 0.00 0.00 174.74 174.78 3fau h VAL 18 N 0.44 1.10 -0.25 -0.90 2.07 -1.95 -1.15 116.25 115.61 3fau h VAL 18 Ca -0.48 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 66.80 3fau h VAL 18 Cb 1.26 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3fau h VAL 18 CO 0.55 0.14 0.06 -2.24 0.02 0.00 0.00 177.57 176.10 3fau h ASP 19 N 0.78 0.03 -0.36 0.57 -0.00 -1.99 -0.75 116.42 114.71 3fau h ASP 19 Ca 0.25 0.04 -0.09 0.00 -0.00 0.00 0.00 57.03 57.22 3fau h ASP 19 Cb -0.01 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.35 3fau h ASP 19 CO -0.09 0.05 -0.11 -0.08 -0.00 0.00 0.00 179.24 179.01 3fau h GLU 20 N 0.16 0.79 -0.10 4.15 4.81 -1.89 -1.12 114.58 121.39 3fau h GLU 20 Ca 0.11 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3fau h GLU 20 Cb 0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3fau h GLU 20 CO -0.14 0.87 0.06 0.00 -0.73 0.00 0.00 179.01 179.07 3fau h ALA 21 N 1.16 0.12 -0.13 2.92 0.00 -0.78 -0.88 119.26 121.66 3fau h ALA 21 Ca 0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3fau h ALA 21 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3fau h ALA 21 CO 0.04 -0.39 -0.28 -0.07 0.00 0.00 0.00 179.25 178.54 3fau h LEU 22 N 0.12 0.25 -0.24 0.00 3.38 -1.02 -0.85 115.31 116.96 3fau h LEU 22 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3fau h LEU 22 Cb -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3fau h LEU 22 CO -0.01 0.53 0.12 -0.08 0.09 0.00 0.00 178.44 179.09 3fau h GLU 23 N 0.22 0.34 -0.48 1.13 4.81 -0.83 -0.61 114.58 119.16 3fau h GLU 23 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3fau h GLU 23 Cb 0.62 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3fau h GLU 23 CO 0.04 0.34 0.17 0.45 -0.73 0.00 0.00 179.01 179.28 3fau h HIS 24 N 0.25 0.75 -0.45 0.92 3.86 -0.96 -2.22 115.15 117.31 3fau h HIS 24 Ca 0.08 -0.07 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 3fau h HIS 24 Cb 0.11 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 3fau h HIS 24 CO -0.02 0.65 0.16 1.25 0.86 0.00 0.00 177.93 180.82 3fau h LEU 25 N 0.64 0.16 0.45 2.43 5.85 -1.04 -0.23 115.31 123.57 3fau h LEU 25 Ca 0.16 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3fau h LEU 25 Cb 0.23 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3fau h LEU 25 CO -0.01 0.12 -0.22 -0.03 -0.34 0.00 0.00 178.44 177.97 3fau h MET 26 N 0.32 -0.59 -0.88 1.25 4.05 -0.98 -1.21 114.93 116.89 3fau h MET 26 Ca 0.21 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 3fau h MET 26 Cb 0.21 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 3fau h MET 26 CO -0.22 -0.35 0.58 0.00 0.23 0.00 0.00 176.91 177.16 3fau h ARG 27 N -0.70 1.11 -0.14 0.39 3.08 -1.29 -1.31 114.38 115.53 3fau h ARG 27 Ca -0.06 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.73 3fau h ARG 27 Cb 0.51 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3fau h ARG 27 CO 0.10 0.74 -0.68 0.28 -1.07 0.00 0.00 179.97 179.34 3fau h VAL 28 N 1.15 1.33 -0.74 2.04 2.07 -1.02 -1.47 116.25 119.60 3fau h VAL 28 Ca 0.34 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 3fau h VAL 28 Cb -0.06 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3fau h VAL 28 CO -0.10 0.61 0.37 -0.07 0.02 0.00 0.00 177.57 178.41 3fau h LEU 29 N 0.40 0.96 0.40 2.57 3.38 -0.85 0.92 115.31 123.09 3fau h LEU 29 Ca -0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3fau h LEU 29 Cb 1.26 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3fau h LEU 29 CO 0.13 0.82 -0.20 -0.08 0.09 0.00 0.00 178.44 179.20 3fau h GLU 30 N 1.04 -0.53 -0.27 1.13 4.81 -1.10 -0.83 114.58 118.84 3fau h GLU 30 Ca 0.26 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3fau h GLU 30 Cb 0.10 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3fau h GLU 30 CO -0.03 -0.35 0.13 -0.22 -0.73 0.00 0.00 179.01 177.80 3fau h LYS 31 N -0.55 0.26 -0.12 1.92 1.63 -1.11 0.79 116.57 119.40 3fau h LYS 31 Ca -0.05 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.62 3fau h LYS 31 Cb 0.42 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3fau h LYS 31 CO 0.09 0.18 -0.42 0.87 -3.45 0.00 0.00 179.45 176.71 3fau h LYS 32 N 0.27 0.28 -0.18 1.90 1.79 -0.83 -1.94 116.57 117.86 3fau h LYS 32 Ca 0.11 -0.14 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 3fau h LYS 32 Cb 0.04 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3fau h LYS 32 CO -0.08 0.66 -0.10 1.15 -1.08 0.00 0.00 179.45 180.00 3fau h THR 33 N 0.24 1.32 -0.73 -0.16 2.02 -0.84 -0.78 112.91 113.97 3fau h THR 33 Ca 0.02 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.07 3fau h THR 33 Cb 0.84 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.92 3fau h THR 33 CO 0.07 0.35 0.45 -0.08 0.37 0.00 0.00 175.52 176.68 3fau h GLU 34 N 0.05 0.84 -0.17 6.66 4.57 -0.74 -1.92 114.58 123.87 3fau h GLU 34 Ca 0.04 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3fau h GLU 34 Cb 0.59 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3fau h GLU 34 CO 0.03 0.56 0.02 0.93 -1.18 0.00 0.00 179.01 179.37 3fau h GLU 35 N 0.87 0.28 -0.44 1.92 5.08 -1.32 -2.04 114.58 118.92 3fau h GLU 35 Ca 0.30 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3fau h GLU 35 Cb 0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3fau h GLU 35 CO -0.13 0.46 0.21 0.35 -1.00 0.00 0.00 179.01 178.90 3fau h PHE 36 N 0.06 0.60 0.15 4.33 3.04 -0.85 0.14 116.94 124.41 3fau h PHE 36 Ca 0.05 -0.01 -0.30 0.00 3.98 0.00 0.00 57.97 61.69 3fau h PHE 36 Cb 0.31 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 38.64 3fau h PHE 36 CO 0.02 0.45 -1.37 1.57 -2.02 0.00 0.00 178.31 176.96 3fau h LYS 37 N 0.61 0.32 -0.09 1.11 2.10 -1.34 0.14 116.57 119.42 3fau h LYS 37 Ca 0.15 -0.55 -0.07 0.00 -2.00 0.00 0.00 60.65 58.18 3fau h LYS 37 Cb 0.07 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3fau h LYS 37 CO -0.02 1.24 -0.23 1.96 -2.00 0.00 0.00 179.45 180.40 3fau h GLN 38 N 0.09 0.32 0.00 0.07 1.08 -1.10 -3.40 115.11 112.16 3fau h GLN 38 Ca -0.19 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3fau h GLN 38 Cb 2.02 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.49 3fau h GLN 38 CO 0.21 0.83 -0.06 0.09 -0.95 0.00 0.00 178.83 178.94 3fau n ASN 39 N -4.50 1.02 0.00 1.46 3.02 0.48 -5.10 115.26 111.63 3fau n ASN 39 Ca -0.08 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3fau n ASN 39 Cb 0.43 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 3fau n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fau n GLY 40 N -0.36 0.65 0.64 7.41 0.00 0.49 -4.96 105.19 109.06 3fau n GLY 40 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3fau n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fau n GLY 41 N 0.00 -0.22 3.73 -0.02 0.00 -1.26 -4.13 105.19 103.29 3fau n GLY 41 Ca 0.00 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3fau n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fau s LYS 42 N 0.00 4.24 -0.04 1.61 2.20 -1.26 -4.89 119.74 121.60 3fau s LYS 42 Ca 0.00 2.31 0.03 0.00 -0.36 0.00 0.00 55.97 57.95 3fau s LYS 42 Cb 0.00 -3.15 0.18 0.00 -1.51 0.00 0.00 37.83 33.35 3fau s LYS 42 CO 0.00 -0.52 0.83 -2.30 -0.36 0.00 0.00 175.35 173.00 3fau n PRO 43 N 3.35 1.78 -3.59 4.03 -0.02 -1.26 -4.89 135.00 134.41 3fau n PRO 43 Ca 0.11 -0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 60.80 3fau n PRO 43 Cb 0.40 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 3fau n PRO 43 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fau s TYR 44 N -1.45 -0.30 -0.15 6.00 1.13 -1.26 -1.57 117.35 119.75 3fau s TYR 44 Ca 0.12 0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 55.82 3fau s TYR 44 Cb 0.09 0.33 -0.02 0.00 -1.10 0.00 0.00 41.96 41.26 3fau s TYR 44 CO 0.04 -0.72 -0.10 -1.17 -2.51 0.00 0.00 175.55 171.09 3fau s LEU 45 N -2.66 2.82 -0.21 -3.49 2.96 0.05 -4.92 118.68 113.23 3fau s LEU 45 Ca 0.01 -0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 53.39 3fau s LEU 45 Cb 0.01 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3fau s LEU 45 CO -0.11 0.13 0.68 -0.55 -1.32 0.00 0.00 176.35 175.18 3fau s SER 46 N 0.54 6.71 -0.17 3.68 0.15 -1.26 -0.65 113.70 122.70 3fau s SER 46 Ca -0.07 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.46 3fau s SER 46 Cb -0.15 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 61.80 3fau s SER 46 CO 0.03 -0.34 -0.17 -0.69 1.20 0.00 0.00 173.24 173.28 3fau s VAL 47 N 2.17 2.37 -0.34 4.45 1.01 0.15 -0.80 120.40 129.40 3fau s VAL 47 Ca 0.30 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 3fau s VAL 47 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 3fau s VAL 47 CO 0.10 0.52 0.44 -0.63 0.00 0.00 0.00 175.10 175.53 3fau s ILE 48 N 1.11 5.09 -0.37 2.22 1.01 0.96 -0.55 121.20 130.69 3fau s ILE 48 Ca 0.00 0.23 0.23 0.00 0.00 0.00 0.00 60.65 61.11 3fau s ILE 48 Cb -0.14 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.31 3fau s ILE 48 CO -0.07 -0.13 0.91 0.35 0.00 0.00 0.00 174.94 176.00 3fau n THR 49 N 5.32 0.27 0.00 2.92 -2.24 0.57 -0.35 114.28 120.76 3fau n THR 49 Ca -0.07 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3fau n THR 49 Cb 0.49 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3fau n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fau n GLY 50 N 1.29 0.43 0.10 3.38 0.00 -1.22 -4.04 105.19 105.13 3fau n GLY 50 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 45.07 3fau n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fau n ARG 51 N -0.34 1.13 0.00 1.61 1.74 -1.26 -4.44 116.66 115.10 3fau n ARG 51 Ca 0.00 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 3fau n ARG 51 Cb 0.00 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3fau n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fau n GLY 52 N -0.38 3.19 0.00 -0.13 0.00 -1.26 -5.08 105.19 101.54 3fau n GLY 52 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3fau n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fau n GLY 57 N 0.00 1.02 7.00 -0.02 0.00 -1.26 -5.10 105.19 106.83 3fau n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fau n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fau n GLY 58 N -0.51 2.17 0.00 -0.02 0.00 -1.26 -0.19 105.19 105.37 3fau n GLY 58 Ca 0.00 0.41 0.10 0.00 0.00 0.00 0.00 46.02 46.53 3fau n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fau n VAL 59 N 0.00 0.48 1.14 1.61 0.31 -1.26 -2.33 118.33 118.29 3fau n VAL 59 Ca 0.00 0.12 0.14 0.00 -0.01 0.00 0.00 64.34 64.59 3fau n VAL 59 Cb 0.00 -0.77 0.53 0.00 -0.91 0.00 0.00 33.84 32.68 3fau n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fau n ALA 60 N -1.39 2.78 -2.14 3.52 0.00 0.73 -4.91 120.51 119.10 3fau n ALA 60 Ca 0.07 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 3fau n ALA 60 Cb 0.20 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 3fau n ALA 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fau s ARG 61 N -2.82 4.35 0.06 0.00 3.00 -0.98 -4.74 118.95 117.82 3fau s ARG 61 Ca 0.18 2.04 -0.20 0.00 0.00 0.00 0.00 55.73 57.76 3fau s ARG 61 Cb 0.19 -3.24 -0.11 0.00 0.00 0.00 0.00 34.95 31.78 3fau s ARG 61 CO 0.55 -0.36 1.44 0.82 0.00 0.00 0.00 175.30 177.75 3fau h ILE 62 N 4.12 1.30 -0.14 1.52 1.08 -1.91 -3.17 117.51 120.32 3fau h ILE 62 Ca -0.43 -1.08 0.02 0.00 -0.39 0.00 0.00 64.86 62.97 3fau h ILE 62 Cb 1.21 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.56 3fau h ILE 62 CO 0.83 0.33 0.03 0.50 -0.69 0.00 0.00 178.15 179.14 3fau h LYS 63 N 0.09 0.08 -0.57 2.37 3.64 -1.92 0.82 116.57 121.08 3fau h LYS 63 Ca 0.05 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3fau h LYS 63 Cb 0.53 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3fau h LYS 63 CO 0.02 0.05 0.10 -1.35 -2.27 0.00 0.00 179.45 176.01 3fau h PRO 64 N 0.08 0.90 -0.13 1.90 0.11 -1.96 0.77 132.00 133.67 3fau h PRO 64 Ca 0.06 -0.21 0.02 0.00 0.11 0.00 0.00 66.00 65.98 3fau h PRO 64 Cb 0.05 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3fau h PRO 64 CO -0.08 0.83 0.02 0.00 -0.21 0.00 0.00 178.00 178.55 3fau h ALA 65 N 1.26 0.12 -0.48 -0.75 0.00 -1.41 -0.78 119.26 117.21 3fau h ALA 65 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fau h ALA 65 Cb 0.36 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fau h ALA 65 CO 0.01 -0.43 0.18 0.28 0.00 0.00 0.00 179.25 179.28 3fau h VAL 66 N 0.07 1.21 -0.51 0.00 2.07 -0.45 -1.44 116.25 117.20 3fau h VAL 66 Ca 0.06 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.95 3fau h VAL 66 Cb 0.06 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3fau h VAL 66 CO -0.08 0.25 0.24 0.40 0.02 0.00 0.00 177.57 178.39 3fau h ILE 67 N 0.63 0.92 -0.28 4.57 1.08 -0.73 -0.49 117.51 123.21 3fau h ILE 67 Ca 0.16 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3fau h ILE 67 Cb 0.21 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 3fau h ILE 67 CO -0.01 0.08 0.17 0.50 -0.69 0.00 0.00 178.15 178.20 3fau h LYS 68 N 0.46 0.39 -0.37 2.37 1.63 -0.84 -0.69 116.57 119.52 3fau h LYS 68 Ca 0.23 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.05 3fau h LYS 68 Cb 0.17 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 3fau h LYS 68 CO -0.18 0.31 0.03 -0.92 -3.45 0.00 0.00 179.45 175.24 3fau h TYR 69 N 0.36 0.04 -0.15 1.91 3.20 -1.07 -0.49 116.97 120.77 3fau h TYR 69 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3fau h TYR 69 Cb 0.02 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3fau h TYR 69 CO -0.04 -0.03 0.04 -0.07 -1.64 0.00 0.00 178.16 176.41 3fau h LEU 70 N 0.14 0.23 -0.57 2.82 3.38 -0.61 -2.55 115.31 118.14 3fau h LEU 70 Ca 0.18 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3fau h LEU 70 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3fau h LEU 70 CO -0.27 0.39 -0.01 0.40 0.09 0.00 0.00 178.44 179.04 3fau h ILE 71 N 0.05 1.27 -0.13 1.22 2.04 -1.06 -0.42 117.51 120.47 3fau h ILE 71 Ca 0.05 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.79 3fau h ILE 71 Cb 0.25 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3fau h ILE 71 CO 0.00 0.41 0.10 0.28 0.00 0.00 0.00 178.15 178.95 3fau h SER 72 N 0.91 0.00 -0.34 1.72 0.02 -0.99 -2.37 113.55 112.50 3fau h SER 72 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3fau h SER 72 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3fau h SER 72 CO 0.03 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.13 3fau n HIS 73 N -4.31 1.13 -2.67 3.45 8.25 -0.89 -4.97 115.22 115.21 3fau n HIS 73 Ca 0.00 -0.80 -0.20 0.00 -0.26 0.00 0.00 57.72 56.46 3fau n HIS 73 Cb 0.23 -0.32 0.01 0.00 1.12 0.00 0.00 29.99 31.02 3fau n HIS 73 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3fau n SER 74 N -0.13 -5.52 -4.74 0.41 7.64 -0.88 -4.98 113.62 105.41 3fau n SER 74 Ca 0.22 -0.09 -0.40 0.00 1.01 0.00 0.00 58.87 59.60 3fau n SER 74 Cb 0.91 -4.56 -0.05 0.00 -1.01 0.00 0.00 64.21 59.50 3fau n SER 74 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3fau s PHE 75 N -3.01 3.75 0.21 1.43 0.08 -0.22 -5.03 117.98 115.19 3fau s PHE 75 Ca 0.12 1.51 -0.15 0.00 0.12 0.00 0.00 56.93 58.53 3fau s PHE 75 Cb -0.06 -2.85 -0.08 0.00 -0.57 0.00 0.00 43.02 39.47 3fau s PHE 75 CO 0.15 0.27 0.64 1.03 -0.10 0.00 0.00 175.22 177.20 3fau s ARG 76 N -0.06 4.04 0.20 0.44 0.52 -1.26 -4.43 118.95 118.40 3fau s ARG 76 Ca 0.39 0.61 -0.18 0.00 -0.52 0.00 0.00 55.73 56.03 3fau s ARG 76 Cb -0.21 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.51 3fau s ARG 76 CO 0.24 0.37 0.54 -0.59 0.02 0.00 0.00 175.30 175.88 3fau s PHE 77 N -1.63 -0.16 0.05 -0.53 -0.71 -1.26 -1.04 117.98 112.71 3fau s PHE 77 Ca 0.44 -0.18 0.05 0.00 -1.04 0.00 0.00 56.93 56.20 3fau s PHE 77 Cb -0.14 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 3fau s PHE 77 CO 0.20 -0.93 -0.14 -1.54 -1.34 0.00 0.00 175.22 171.46 3fau s SER 78 N -2.87 1.69 -0.57 1.98 1.04 -0.42 -4.97 113.70 109.58 3fau s SER 78 Ca 0.09 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 55.88 3fau s SER 78 Cb -0.01 -0.09 0.15 0.00 0.10 0.00 0.00 66.02 66.16 3fau s SER 78 CO -0.03 0.00 0.49 -0.70 0.98 0.00 0.00 173.24 173.98 3fau s GLU 79 N -1.34 2.88 -0.05 4.02 2.12 -1.26 -0.37 118.70 124.69 3fau s GLU 79 Ca 0.01 -1.93 -0.16 0.00 0.36 0.00 0.00 54.97 53.25 3fau s GLU 79 Cb -0.09 -4.14 -0.10 0.00 0.26 0.00 0.00 34.13 30.06 3fau s GLU 79 CO 0.02 -1.26 0.64 0.97 -0.54 0.00 0.00 175.26 175.08 3fau h ILE 80 N 5.73 0.36 -3.98 -3.70 6.09 -1.90 -3.45 117.51 116.66 3fau h ILE 80 Ca -0.17 -0.89 -0.58 0.00 -1.37 0.00 0.00 64.86 61.85 3fau h ILE 80 Cb 1.07 0.61 -0.23 0.00 0.47 0.00 0.00 36.82 38.74 3fau h ILE 80 CO 0.90 0.10 -0.84 -1.59 -3.07 0.00 0.00 178.15 173.65 3fau s LYS 81 N -3.09 1.22 0.11 2.19 -2.85 -1.26 -5.07 119.74 110.99 3fau s LYS 81 Ca -0.09 -1.14 -0.35 0.00 -1.00 0.00 0.00 55.97 53.38 3fau s LYS 81 Cb 0.00 -1.49 -0.15 0.00 -2.06 0.00 0.00 37.83 34.14 3fau s LYS 81 CO 0.31 0.35 1.50 -2.30 0.10 0.00 0.00 175.35 175.31 3fau n PRO 82 N 1.21 1.72 -0.51 1.78 -0.02 -1.26 -0.32 135.00 137.60 3fau n PRO 82 Ca -0.19 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3fau n PRO 82 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3fau n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fau n GLY 83 N 3.12 1.58 3.15 -1.23 0.00 -1.26 -4.84 105.19 105.71 3fau n GLY 83 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3fau n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fau s LEU 85 N 1.30 3.33 -0.35 0.00 1.43 0.29 -2.71 118.68 121.98 3fau s LEU 85 Ca 0.03 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 3fau s LEU 85 Cb -0.14 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3fau s LEU 85 CO -0.10 0.31 0.19 -0.54 0.23 0.00 0.00 176.35 176.44 3fau s LYS 86 N -0.46 3.12 -0.25 1.70 3.01 0.50 -0.68 119.74 126.67 3fau s LYS 86 Ca 0.07 -0.88 -0.09 0.00 -1.01 0.00 0.00 55.97 54.06 3fau s LYS 86 Cb -0.12 -3.68 -0.04 0.00 -1.01 0.00 0.00 37.83 32.97 3fau s LYS 86 CO 0.02 -0.56 0.14 0.08 0.51 0.00 0.00 175.35 175.54 3fau s VAL 87 N 1.60 4.98 0.15 3.17 1.01 0.18 -1.30 120.40 130.18 3fau s VAL 87 Ca 0.04 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 3fau s VAL 87 Cb -0.18 -3.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 3fau s VAL 87 CO 0.07 0.32 1.25 -0.04 0.00 0.00 0.00 175.10 176.69 3fau s MET 88 N 1.43 4.43 0.00 2.72 1.00 -0.20 -0.77 119.30 127.91 3fau s MET 88 Ca 0.06 1.91 0.27 0.00 0.00 0.00 0.00 55.69 57.94 3fau s MET 88 Cb -0.15 -3.26 0.84 0.00 0.00 0.00 0.00 34.83 32.26 3fau s MET 88 CO 0.07 -0.21 1.63 1.28 0.00 0.00 0.00 175.02 177.79