#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfo n MET 4 N 0.00 2.49 -0.34 -1.58 2.81 -1.26 -4.79 117.12 114.45 1tfo n MET 4 Ca 0.00 -3.69 0.15 0.00 -1.81 0.00 0.00 57.70 52.36 1tfo n MET 4 Cb 0.00 -1.92 0.37 0.00 -0.71 0.00 0.00 33.22 30.97 1tfo n MET 4 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tfo h ALA 5 N 1.52 1.81 -0.10 3.04 0.00 -1.98 0.35 119.26 123.90 1tfo h ALA 5 Ca 0.17 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1tfo h ALA 5 Cb 1.25 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1tfo h ALA 5 CO 0.35 -0.19 -0.61 0.52 0.00 0.00 0.00 179.25 179.32 1tfo h MET 6 N 0.66 0.59 -0.78 0.00 2.86 -1.91 -0.84 114.93 115.51 1tfo h MET 6 Ca 0.58 -0.50 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1tfo h MET 6 Cb 1.04 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 1tfo h MET 6 CO -0.36 1.12 0.31 0.82 1.06 0.00 0.00 176.91 179.86 1tfo h ILE 7 N 0.22 1.26 -0.43 -1.22 5.03 -1.64 -1.45 117.51 119.28 1tfo h ILE 7 Ca -0.05 -0.82 -0.01 0.00 -0.12 0.00 0.00 64.86 63.86 1tfo h ILE 7 Cb 1.25 0.33 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 1tfo h ILE 7 CO 0.12 0.33 0.23 0.44 -0.68 0.00 0.00 178.15 178.60 1tfo h ASP 8 N 1.14 0.55 -0.60 1.72 3.32 -0.26 -1.48 116.42 120.79 1tfo h ASP 8 Ca 0.26 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.25 1tfo h ASP 8 Cb 0.22 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1tfo h ASP 8 CO -0.02 0.49 0.35 0.25 -1.72 0.00 0.00 179.24 178.59 1tfo h LEU 9 N 0.56 0.53 -0.60 1.55 5.85 -0.85 0.86 115.31 123.22 1tfo h LEU 9 Ca 0.15 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1tfo h LEU 9 Cb 0.08 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1tfo h LEU 9 CO -0.02 0.36 0.38 0.00 -0.34 0.00 0.00 178.44 178.82 1tfo h ALA 10 N 1.29 0.76 -0.32 1.25 0.00 -0.87 0.25 119.26 121.61 1tfo h ALA 10 Ca 0.26 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1tfo h ALA 10 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1tfo h ALA 10 CO -0.14 0.22 -0.26 0.87 0.00 0.00 0.00 179.25 179.93 1tfo h LYS 11 N 0.81 0.65 -0.59 0.00 1.57 -0.69 0.19 116.57 118.51 1tfo h LYS 11 Ca 0.22 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1tfo h LYS 11 Cb -0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1tfo h LYS 11 CO -0.04 0.85 0.26 1.25 -0.57 0.00 0.00 179.45 181.19 1tfo h LEU 12 N 0.57 0.80 -0.25 2.94 5.85 -0.13 0.30 115.31 125.38 1tfo h LEU 12 Ca 0.07 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1tfo h LEU 12 Cb 0.75 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1tfo h LEU 12 CO 0.06 0.73 0.04 0.15 -0.34 0.00 0.00 178.44 179.08 1tfo h PHE 13 N 0.81 0.45 0.00 1.25 3.57 -0.10 -1.40 116.94 121.52 1tfo h PHE 13 Ca 0.20 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1tfo h PHE 13 Cb 0.17 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1tfo h PHE 13 CO 0.01 0.54 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.39 1tfo h LEU 14 N 0.23 0.00 -0.11 0.59 4.07 -0.39 0.55 115.31 120.25 1tfo h LEU 14 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1tfo h LEU 14 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1tfo h LEU 14 CO 0.01 0.17 -0.02 0.00 -1.08 0.00 0.00 178.44 177.51 1tfo n ALA 15 N -2.38 2.63 -1.62 1.53 0.00 0.07 -4.89 120.51 115.85 1tfo n ALA 15 Ca -0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 1tfo n ALA 15 Cb 0.26 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1tfo n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1tfo n SER 16 N -1.02 -5.07 0.18 0.00 7.64 0.18 -4.85 113.62 110.68 1tfo n SER 16 Ca 0.18 0.36 0.06 0.00 1.01 0.00 0.00 58.87 60.48 1tfo n SER 16 Cb 0.21 -4.09 0.23 0.00 -1.01 0.00 0.00 64.21 59.55 1tfo n SER 16 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1tfo h LYS 17 N 0.00 0.00 -5.09 1.43 1.79 -1.47 -3.44 116.57 109.78 1tfo h LYS 17 Ca -0.36 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.76 1tfo h LYS 17 Cb 1.15 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.62 1tfo h LYS 17 CO 0.51 0.36 -0.74 0.96 -1.08 0.00 0.00 179.45 179.46 1tfo s ILE 18 N -3.31 1.05 0.72 1.86 -4.36 -1.23 -5.02 121.20 110.91 1tfo s ILE 18 Ca 0.02 -1.65 -0.09 0.00 -0.26 0.00 0.00 60.65 58.67 1tfo s ILE 18 Cb 0.09 -1.40 0.05 0.00 1.25 0.00 0.00 42.46 42.45 1tfo s ILE 18 CO 0.70 -0.51 1.06 0.42 0.24 0.00 0.00 174.94 176.85 1tfo s THR 19 N -2.33 2.67 0.22 8.37 -4.23 -1.26 -4.60 115.64 114.48 1tfo s THR 19 Ca 0.06 0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 1tfo s THR 19 Cb -0.04 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.81 1tfo s THR 19 CO 0.01 -0.21 1.85 0.00 -0.54 0.00 0.00 174.62 175.73 1tfo h ALA 20 N -0.68 1.06 -0.37 3.99 0.00 -1.94 0.21 119.26 121.53 1tfo h ALA 20 Ca -0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1tfo h ALA 20 Cb 1.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1tfo h ALA 20 CO 0.63 0.54 0.18 0.82 0.00 0.00 0.00 179.25 181.42 1tfo h ILE 21 N 1.14 1.16 -0.21 0.00 2.04 -1.99 0.17 117.51 119.82 1tfo h ILE 21 Ca 0.29 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1tfo h ILE 21 Cb -0.01 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1tfo h ILE 21 CO -0.05 0.17 0.12 -0.33 0.00 0.00 0.00 178.15 178.06 1tfo h GLU 22 N 0.46 0.29 -0.70 2.37 5.08 -1.80 -2.38 114.58 117.89 1tfo h GLU 22 Ca 0.13 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1tfo h GLU 22 Cb 0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1tfo h GLU 22 CO -0.02 0.25 0.46 0.35 -1.00 0.00 0.00 179.01 179.06 1tfo h PHE 23 N 0.24 0.89 0.00 4.33 3.04 -0.37 -1.19 116.94 123.88 1tfo h PHE 23 Ca 0.07 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1tfo h PHE 23 Cb 0.04 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 1tfo h PHE 23 CO -0.04 0.56 -0.20 0.66 -2.02 0.00 0.00 178.31 177.27 1tfo h SER 24 N 0.96 0.00 0.00 0.41 4.64 -0.41 -1.59 113.55 117.56 1tfo h SER 24 Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1tfo h SER 24 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1tfo h SER 24 CO -0.06 0.20 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.20 1tfo h GLU 25 N 0.00 0.00 0.00 4.77 5.08 -1.10 -3.35 114.58 119.98 1tfo h GLU 25 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tfo h GLU 25 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1tfo h GLU 25 CO 0.03 0.81 -0.02 0.00 -1.00 0.00 0.00 179.01 178.83 1tfo h ARG 26 N -1.00 0.00 0.00 2.33 3.08 -1.24 -0.54 114.38 117.01 1tfo h ARG 26 Ca -0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1tfo h ARG 26 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1tfo h ARG 26 CO -0.09 0.02 -0.18 0.97 -1.07 0.00 0.00 179.97 179.62 1tfo h ILE 27 N 0.00 1.03 -0.00 2.04 6.09 -1.44 0.62 117.51 125.85 1tfo h ILE 27 Ca -0.00 -0.64 -0.24 0.00 -1.37 0.00 0.00 64.86 62.60 1tfo h ILE 27 Cb 0.03 1.36 0.01 0.00 0.47 0.00 0.00 36.82 38.69 1tfo h ILE 27 CO 0.00 0.18 -0.98 0.00 -3.07 0.00 0.00 178.15 174.28 1tfo h VAL 29 N 0.31 1.24 -0.32 0.00 2.07 -1.18 -1.92 116.25 116.45 1tfo h VAL 29 Ca -0.10 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 1tfo h VAL 29 Cb 1.63 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1tfo h VAL 29 CO 0.18 0.28 -0.25 -0.33 0.02 0.00 0.00 177.57 177.47 1tfo h GLU 30 N 0.41 0.64 -0.46 1.57 4.39 -0.87 -1.54 114.58 118.71 1tfo h GLU 30 Ca 0.10 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1tfo h GLU 30 Cb 0.36 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1tfo h GLU 30 CO 0.01 0.83 0.07 -0.09 -1.16 0.00 0.00 179.01 178.67 1tfo h ARG 31 N 0.56 0.76 -0.21 2.33 2.43 -1.13 -1.22 114.38 117.90 1tfo h ARG 31 Ca 0.08 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1tfo h ARG 31 Cb 0.73 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1tfo h ARG 31 CO 0.06 0.78 0.12 -0.09 -1.51 0.00 0.00 179.97 179.34 1tfo h ARG 32 N 0.62 0.25 0.43 0.20 2.43 -1.20 -0.02 114.38 117.09 1tfo h ARG 32 Ca 0.14 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1tfo h ARG 32 Cb 0.40 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1tfo h ARG 32 CO 0.01 0.17 -0.42 -0.09 -1.51 0.00 0.00 179.97 178.12 1tfo h ARG 33 N 0.26 -0.83 0.00 0.20 2.43 -1.07 -2.46 114.38 112.91 1tfo h ARG 33 Ca 0.08 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1tfo h ARG 33 Cb -0.01 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1tfo h ARG 33 CO -0.04 -0.56 0.00 1.28 -1.51 0.00 0.00 179.97 179.15 1tfo n LEU 34 N -5.51 0.00 -4.68 3.80 4.32 -0.48 -4.73 117.00 109.72 1tfo n LEU 34 Ca -0.11 0.10 -0.42 0.00 -0.02 0.00 0.00 56.01 55.55 1tfo n LEU 34 Cb 0.41 -0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 42.09 1tfo n LEU 34 CO 0.28 -0.03 1.16 -0.47 -1.22 0.00 0.00 177.39 177.10 1tfo s TYR 35 N -2.19 2.73 0.00 -1.77 5.04 -0.03 -2.84 117.35 118.29 1tfo s TYR 35 Ca 0.27 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1tfo s TYR 35 Cb 0.14 -3.70 0.00 0.00 0.35 0.00 0.00 41.96 38.75 1tfo s TYR 35 CO 0.26 -2.65 0.00 0.41 -1.34 0.00 0.00 175.55 172.23 1tfo n GLY 36 N 3.72 2.86 3.59 8.97 0.00 -1.26 -5.00 105.19 118.06 1tfo n GLY 36 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 1tfo n GLY 36 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tfo n VAL 37 N -0.52 0.69 -1.78 1.61 0.31 -1.13 -4.96 118.33 112.55 1tfo n VAL 37 Ca 0.00 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1tfo n VAL 37 Cb 0.00 -0.90 0.06 0.00 -0.91 0.00 0.00 33.84 32.09 1tfo n VAL 37 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1tfo n LYS 38 N 1.97 -0.12 -1.85 5.55 0.00 -1.26 -4.39 118.16 118.05 1tfo n LYS 38 Ca 0.15 -0.85 -0.17 0.00 -0.00 0.00 0.00 58.31 57.45 1tfo n LYS 38 Cb 0.24 -0.39 -0.05 0.00 -0.00 0.00 0.00 35.03 34.83 1tfo n LYS 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1tfo n ASP 39 N -3.16 -4.64 -4.85 -5.58 5.68 -1.26 -4.96 116.55 97.78 1tfo n ASP 39 Ca 0.06 0.29 -0.34 0.00 -0.50 0.00 0.00 54.79 54.30 1tfo n ASP 39 Cb 0.21 -4.07 -0.06 0.00 -1.14 0.00 0.00 41.12 36.07 1tfo n ASP 39 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1tfo s LEU 40 N -4.86 4.24 -0.12 -2.12 2.01 -1.26 -4.99 118.68 111.57 1tfo s LEU 40 Ca 0.00 1.08 -0.25 0.00 0.01 0.00 0.00 54.13 54.97 1tfo s LEU 40 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 46.19 42.61 1tfo s LEU 40 CO 0.00 -0.01 0.80 -0.55 1.01 0.00 0.00 176.35 177.60 1tfo s SER 41 N -2.03 7.00 0.21 2.29 0.15 -1.26 -4.95 113.70 115.11 1tfo s SER 41 Ca 0.44 1.22 -0.15 0.00 0.70 0.00 0.00 55.95 58.16 1tfo s SER 41 Cb -0.13 -2.45 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 1tfo s SER 41 CO 0.20 -0.30 1.61 -0.65 1.20 0.00 0.00 173.24 175.30 1tfo h PRO 42 N 7.12 -0.04 -0.22 5.44 0.11 -1.98 0.59 132.00 143.02 1tfo h PRO 42 Ca -0.34 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.81 1tfo h PRO 42 Cb 1.16 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1tfo h PRO 42 CO 0.80 -0.03 0.02 -0.97 -0.21 0.00 0.00 178.00 177.61 1tfo h ASN 43 N -0.05 -0.04 -0.62 -2.05 -1.24 -1.98 0.88 115.58 110.49 1tfo h ASN 43 Ca 0.30 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.28 1tfo h ASN 43 Cb 0.52 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.61 1tfo h ASN 43 CO -0.70 0.01 0.09 0.40 -1.29 0.00 0.00 177.43 175.94 1tfo h ILE 44 N 0.10 1.26 0.04 2.57 2.04 -1.57 0.03 117.51 121.98 1tfo h ILE 44 Ca 0.10 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1tfo h ILE 44 Cb 0.11 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1tfo h ILE 44 CO -0.15 0.38 -0.02 0.25 0.00 0.00 0.00 178.15 178.61 1tfo h LEU 45 N 0.98 -0.05 -0.81 1.44 5.85 0.66 -1.48 115.31 121.91 1tfo h LEU 45 Ca 0.19 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1tfo h LEU 45 Cb 0.44 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1tfo h LEU 45 CO 0.01 0.10 -0.36 0.78 -0.34 0.00 0.00 178.44 178.64 1tfo h ASN 46 N -0.19 0.49 -0.11 1.25 -0.26 -0.77 -1.71 115.58 114.27 1tfo h ASN 46 Ca -0.01 -0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 1tfo h ASN 46 Cb 0.17 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1tfo h ASN 46 CO 0.01 0.81 0.07 0.00 -1.06 0.00 0.00 177.43 177.26 1tfo h GLY 48 N 0.14 0.99 1.00 0.00 0.00 -0.95 -1.66 103.07 102.58 1tfo h GLY 48 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1tfo h GLY 48 CO -0.01 0.22 0.13 0.83 0.00 0.00 0.00 176.54 177.72 1tfo h GLU 49 N 0.77 0.90 -0.09 4.80 4.39 -0.45 -2.05 114.58 122.84 1tfo h GLU 49 Ca 0.32 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 1tfo h GLU 49 Cb 0.28 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1tfo h GLU 49 CO -0.11 0.84 -0.46 0.93 -1.16 0.00 0.00 179.01 179.05 1tfo h GLU 50 N 0.80 0.22 -0.40 2.33 5.08 -0.66 -1.71 114.58 120.25 1tfo h GLU 50 Ca 0.18 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1tfo h GLU 50 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1tfo h GLU 50 CO 0.00 0.64 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.41 1tfo h LEU 51 N 0.18 0.75 -0.46 1.33 3.38 -1.17 -0.15 115.31 119.17 1tfo h LEU 51 Ca 0.01 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1tfo h LEU 51 Cb 0.89 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1tfo h LEU 51 CO 0.07 0.92 0.01 0.15 0.09 0.00 0.00 178.44 179.69 1tfo h PHE 52 N 0.67 0.87 -0.00 1.13 3.57 -0.99 -0.99 116.94 121.20 1tfo h PHE 52 Ca 0.10 -0.15 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 1tfo h PHE 52 Cb 0.66 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1tfo h PHE 52 CO 0.03 0.84 -0.62 0.52 -2.23 0.00 0.00 178.31 176.85 1tfo h MET 53 N 0.66 0.00 -0.25 1.11 2.86 -1.14 -2.19 114.93 115.98 1tfo h MET 53 Ca 0.13 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1tfo h MET 53 Cb 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1tfo h MET 53 CO 0.02 0.63 -0.28 0.00 1.06 0.00 0.00 176.91 178.34 1tfo h ALA 54 N 1.37 0.37 -0.16 6.32 0.00 -0.81 -2.85 119.26 123.50 1tfo h ALA 54 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1tfo h ALA 54 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1tfo h ALA 54 CO 0.08 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1tfo h ALA 55 N 0.67 1.71 0.00 0.00 0.00 -1.05 -1.27 119.26 119.32 1tfo h ALA 55 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1tfo h ALA 55 Cb 0.85 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1tfo h ALA 55 CO 0.07 0.22 -0.08 0.93 0.00 0.00 0.00 179.25 180.39 1tfo h GLU 56 N 0.23 0.00 0.00 0.00 4.39 -1.16 -1.74 114.58 116.30 1tfo h GLU 56 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1tfo h GLU 56 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1tfo h GLU 56 CO 0.00 0.08 -0.37 0.54 -1.16 0.00 0.00 179.01 178.10 1tfo n ARG 57 N -3.79 0.16 -2.48 2.33 1.74 -0.49 -4.89 116.66 109.24 1tfo n ARG 57 Ca -0.02 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1tfo n ARG 57 Cb 0.18 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1tfo n ARG 57 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1tfo s PHE 58 N -3.08 3.44 -0.14 -1.55 5.36 -0.66 -0.40 117.98 120.95 1tfo s PHE 58 Ca 0.10 1.36 -0.04 0.00 -0.96 0.00 0.00 56.93 57.39 1tfo s PHE 58 Cb 0.15 -3.36 0.07 0.00 -0.34 0.00 0.00 43.02 39.53 1tfo s PHE 58 CO 0.66 -1.04 0.16 -2.00 -1.46 0.00 0.00 175.22 171.54 1tfo s GLU 59 N 1.25 0.09 0.47 10.12 2.56 -0.17 -4.89 118.70 128.12 1tfo s GLU 59 Ca 0.57 0.30 0.20 0.00 0.00 0.00 0.00 54.97 56.04 1tfo s GLU 59 Cb -0.27 -0.93 1.16 0.00 2.00 0.00 0.00 34.13 36.09 1tfo s GLU 59 CO 0.28 -0.50 2.00 -1.00 -0.56 0.00 0.00 175.26 175.47 1tfo h PRO 60 N 8.36 0.00 -6.69 4.30 0.13 -1.96 -3.40 132.00 132.74 1tfo h PRO 60 Ca -0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.46 1tfo h PRO 60 Cb 1.14 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.31 1tfo h PRO 60 CO 0.22 0.18 0.71 -0.51 -0.23 0.00 0.00 178.00 178.38 1tfo s ASP 61 N -6.61 6.78 0.55 1.44 1.01 -1.26 -4.91 116.67 113.67 1tfo s ASP 61 Ca -0.03 2.51 0.27 0.00 0.71 0.00 0.00 52.55 56.01 1tfo s ASP 61 Cb 0.14 -2.61 1.47 0.00 1.01 0.00 0.00 42.92 42.93 1tfo s ASP 61 CO 0.65 -0.62 2.00 0.00 0.21 0.00 0.00 175.17 177.40 1tfo h ALA 62 N 5.44 2.30 -0.26 5.23 0.00 -2.03 -1.18 119.26 128.76 1tfo h ALA 62 Ca -0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tfo h ALA 62 Cb 1.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1tfo h ALA 62 CO 0.79 -0.59 0.03 -0.40 0.00 0.00 0.00 179.25 179.08 1tfo n ASP 63 N -4.13 2.98 -4.66 0.00 3.85 -1.26 -4.96 116.55 108.37 1tfo n ASP 63 Ca 0.08 -2.41 -0.32 0.00 -0.71 0.00 0.00 54.79 51.43 1tfo n ASP 63 Cb 0.56 -0.58 0.16 0.00 -1.35 0.00 0.00 41.12 39.91 1tfo n ASP 63 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1tfo n ARG 64 N 0.20 -0.32 -0.80 0.11 1.85 -0.45 -4.97 116.66 112.28 1tfo n ARG 64 Ca 0.13 -0.02 -0.29 0.00 -1.00 0.00 0.00 57.85 56.67 1tfo n ARG 64 Cb 0.68 -2.37 0.21 0.00 -1.05 0.00 0.00 32.46 29.93 1tfo n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tfo s ALA 65 N -2.52 0.43 0.35 2.89 0.00 -1.26 -4.91 121.76 116.74 1tfo s ALA 65 Ca 0.68 -0.05 0.15 0.00 0.00 0.00 0.00 51.96 52.75 1tfo s ALA 65 Cb -0.24 -3.25 0.80 0.00 0.00 0.00 0.00 23.12 20.43 1tfo s ALA 65 CO 0.57 -3.24 1.84 -2.95 0.00 0.00 0.00 175.76 171.98 1tfo h ASN 66 N -2.19 0.00 0.68 0.00 7.08 -2.01 -2.53 115.58 116.60 1tfo h ASN 66 Ca -0.55 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.67 1tfo h ASN 66 Cb 1.31 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.55 1tfo h ASN 66 CO 0.51 0.35 -0.44 0.00 -2.08 0.00 0.00 177.43 175.76 1tfo n TYR 67 N -3.95 0.15 -1.99 4.14 0.18 -1.26 -4.87 117.16 109.55 1tfo n TYR 67 Ca -0.02 0.04 -0.30 0.00 1.88 0.00 0.00 57.90 59.50 1tfo n TYR 67 Cb 0.40 -0.40 0.01 0.00 -0.38 0.00 0.00 39.34 38.98 1tfo n TYR 67 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1tfo s GLU 68 N -3.04 3.52 0.19 -3.48 2.02 -0.95 -4.96 118.70 111.99 1tfo s GLU 68 Ca 0.10 0.63 0.06 0.00 0.02 0.00 0.00 54.97 55.78 1tfo s GLU 68 Cb 0.17 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 1tfo s GLU 68 CO 0.68 -0.56 -0.10 0.96 0.02 0.00 0.00 175.26 176.26 1tfo s ILE 69 N -3.13 1.38 0.18 -1.63 -4.36 0.47 -4.84 121.20 109.26 1tfo s ILE 69 Ca 0.54 -2.11 0.03 0.00 -0.26 0.00 0.00 60.65 58.84 1tfo s ILE 69 Cb -0.11 -2.03 0.03 0.00 1.25 0.00 0.00 42.46 41.60 1tfo s ILE 69 CO 0.52 -0.60 0.24 -0.90 0.24 0.00 0.00 174.94 174.44 1tfo n ASP 70 N -0.32 0.62 -0.21 4.36 5.75 -1.26 -1.00 116.55 124.48 1tfo n ASP 70 Ca -0.08 -1.45 -0.07 0.00 -0.01 0.00 0.00 54.79 53.18 1tfo n ASP 70 Cb 0.61 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.51 1tfo n ASP 70 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1tfo h ASP 71 N 0.02 -1.21 -4.14 -1.12 5.19 -1.95 -1.66 116.42 111.54 1tfo h ASP 71 Ca -0.08 0.18 -0.50 0.00 -0.62 0.00 0.00 57.03 56.01 1tfo h ASP 71 Cb 0.37 0.53 0.07 0.00 0.18 0.00 0.00 39.33 40.49 1tfo h ASP 71 CO 0.11 -0.15 0.40 0.20 -3.12 0.00 0.00 179.24 176.68 1tfo s ASN 72 N -4.37 5.60 0.00 6.45 0.02 -1.26 -1.52 114.94 119.87 1tfo s ASN 72 Ca -0.07 2.02 0.00 0.00 -1.02 0.00 0.00 52.86 53.79 1tfo s ASN 72 Cb 0.06 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.77 1tfo s ASN 72 CO 0.36 -1.29 0.00 0.61 0.02 0.00 0.00 177.10 176.79 1tfo n GLY 73 N -0.34 2.73 0.23 0.66 0.00 -1.26 -4.54 105.19 102.68 1tfo n GLY 73 Ca 0.10 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 1tfo n GLY 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tfo h LEU 74 N 0.00 0.89 -0.22 0.99 5.85 -0.67 0.12 115.31 122.27 1tfo h LEU 74 Ca 0.00 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 1tfo h LEU 74 Cb 0.00 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1tfo h LEU 74 CO 0.00 1.25 0.13 0.11 -0.34 0.00 0.00 178.44 179.60 1tfo h LYS 75 N 0.56 0.29 -0.23 1.25 1.57 -1.51 0.31 116.57 118.81 1tfo h LYS 75 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1tfo h LYS 75 Cb 1.09 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1tfo h LYS 75 CO 0.11 0.23 0.14 0.28 -0.57 0.00 0.00 179.45 179.64 1tfo h VAL 76 N 0.27 1.09 -0.23 0.50 2.07 -1.82 -0.71 116.25 117.42 1tfo h VAL 76 Ca 0.08 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1tfo h VAL 76 Cb 0.01 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1tfo h VAL 76 CO -0.01 0.09 0.09 -0.08 0.02 0.00 0.00 177.57 177.68 1tfo h GLU 77 N 0.28 0.20 -0.30 1.57 4.57 -0.45 -0.90 114.58 119.55 1tfo h GLU 77 Ca 0.08 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1tfo h GLU 77 Cb 0.03 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1tfo h GLU 77 CO -0.02 0.13 0.15 0.28 -1.18 0.00 0.00 179.01 178.38 1tfo h VAL 78 N 0.20 1.14 -0.61 0.32 2.07 -0.19 0.23 116.25 119.42 1tfo h VAL 78 Ca 0.10 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1tfo h VAL 78 Cb 0.06 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1tfo h VAL 78 CO -0.09 0.15 0.37 -0.09 0.02 0.00 0.00 177.57 177.92 1tfo h ARG 79 N 0.35 0.82 -0.78 1.57 2.43 -0.99 -0.88 114.38 116.90 1tfo h ARG 79 Ca 0.10 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1tfo h ARG 79 Cb 0.10 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1tfo h ARG 79 CO -0.01 0.59 0.51 1.03 -1.51 0.00 0.00 179.97 180.57 1tfo h SER 80 N 0.82 0.86 -0.43 -3.80 0.87 -0.85 -1.21 113.55 109.81 1tfo h SER 80 Ca 0.22 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1tfo h SER 80 Cb -0.02 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1tfo h SER 80 CO -0.04 0.61 0.14 0.40 -0.53 0.00 0.00 176.83 177.41 1tfo h ILE 81 N 1.01 1.22 -0.74 2.23 2.04 -0.15 0.46 117.51 123.58 1tfo h ILE 81 Ca 0.30 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1tfo h ILE 81 Cb -0.06 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1tfo h ILE 81 CO -0.09 0.26 0.38 -0.07 0.00 0.00 0.00 178.15 178.63 1tfo h LEU 82 N 0.56 0.94 0.05 1.44 3.38 -0.85 -2.53 115.31 118.30 1tfo h LEU 82 Ca 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tfo h LEU 82 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1tfo h LEU 82 CO -0.01 0.79 -0.02 -0.33 0.09 0.00 0.00 178.44 178.96 1tfo h GLU 83 N 1.02 -0.06 -0.96 1.13 5.08 -1.03 0.27 114.58 120.03 1tfo h GLU 83 Ca 0.26 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.91 1tfo h GLU 83 Cb 0.08 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.19 1tfo h GLU 83 CO -0.04 0.16 0.42 -0.22 -1.00 0.00 0.00 179.01 178.33 1tfo h LYS 84 N -0.27 0.24 -0.59 2.33 3.64 -0.65 1.04 116.57 122.30 1tfo h LYS 84 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1tfo h LYS 84 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1tfo h LYS 84 CO 0.01 0.16 0.00 1.19 -2.27 0.00 0.00 179.45 178.54 1tfo n PHE 85 N -5.15 0.78 -3.49 1.91 3.01 -0.97 -4.97 117.46 108.57 1tfo n PHE 85 Ca 0.28 -0.39 -0.24 0.00 1.01 0.00 0.00 57.45 58.11 1tfo n PHE 85 Cb 0.88 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.41 1tfo n PHE 85 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1tfo n LYS 86 N 1.33 -1.80 -0.20 -1.08 5.02 0.36 -4.93 118.16 116.86 1tfo n LYS 86 Ca 0.21 0.65 0.02 0.00 -2.02 0.00 0.00 58.31 57.17 1tfo n LYS 86 Cb 0.53 -4.92 0.03 0.00 -0.02 0.00 0.00 35.03 30.66 1tfo n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tfo n LEU 87 N -3.76 0.84 -0.31 -0.35 4.77 0.78 -5.00 117.00 113.96 1tfo n LEU 87 Ca -0.09 -1.38 0.15 0.00 -0.03 0.00 0.00 56.01 54.66 1tfo n LEU 87 Cb 0.61 -0.10 0.67 0.00 -2.33 0.00 0.00 43.42 42.27 1tfo n LEU 87 CO 0.64 0.33 0.95 0.00 -1.33 0.00 0.00 177.39 177.98