#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lfo s VAL 1 N 0.00 3.49 -0.78 3.17 1.01 -1.26 -4.95 120.40 121.08 3lfo s VAL 1 Ca 0.00 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 3lfo s VAL 1 Cb 0.00 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.75 3lfo s VAL 1 CO 0.00 0.11 1.11 -0.62 0.00 0.00 0.00 175.10 175.70 3lfo s ASP 2 N 0.86 6.31 0.07 3.32 -1.08 -1.26 -4.92 116.67 119.98 3lfo s ASP 2 Ca 0.61 -1.21 -0.28 0.00 -0.52 0.00 0.00 52.55 51.15 3lfo s ASP 2 Cb -0.35 -2.45 -0.17 0.00 -1.46 0.00 0.00 42.92 38.49 3lfo s ASP 2 CO 0.32 -1.42 1.62 0.15 0.52 0.00 0.00 175.17 176.35 3lfo h PHE 3 N 9.50 -0.44 -0.45 -5.34 3.57 -1.99 0.79 116.94 122.58 3lfo h PHE 3 Ca -0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.44 3lfo h PHE 3 Cb 1.05 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 3lfo h PHE 3 CO 1.07 -0.24 0.10 0.00 -2.23 0.00 0.00 178.31 177.01 3lfo h ALA 4 N 0.12 0.51 0.21 2.41 0.00 -1.99 0.77 119.26 121.29 3lfo h ALA 4 Ca -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3lfo h ALA 4 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3lfo h ALA 4 CO 0.08 -0.30 -0.10 0.35 0.00 0.00 0.00 179.25 179.28 3lfo h PHE 5 N 0.24 -0.26 -0.21 0.00 3.57 -1.91 -2.38 116.94 115.99 3lfo h PHE 5 Ca 0.22 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 3lfo h PHE 5 Cb 0.28 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3lfo h PHE 5 CO -0.21 -0.13 -0.35 0.93 -2.23 0.00 0.00 178.31 176.32 3lfo h GLU 6 N -0.32 0.44 0.26 1.11 4.39 -0.57 -0.69 114.58 119.20 3lfo h GLU 6 Ca -0.03 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3lfo h GLU 6 Cb 0.25 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3lfo h GLU 6 CO 0.05 0.73 -0.13 1.25 -1.16 0.00 0.00 179.01 179.75 3lfo h LEU 7 N 0.37 -0.30 -1.06 1.33 5.85 -0.87 -0.09 115.31 120.55 3lfo h LEU 7 Ca 0.04 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.72 3lfo h LEU 7 Cb 0.79 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 3lfo h LEU 7 CO 0.06 -0.03 0.63 0.03 -0.34 0.00 0.00 178.44 178.79 3lfo h ARG 8 N -0.57 1.01 -0.48 1.25 3.08 -1.24 -0.70 114.38 116.73 3lfo h ARG 8 Ca -0.04 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3lfo h ARG 8 Cb 0.42 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3lfo h ARG 8 CO 0.06 0.67 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.35 3lfo h LYS 9 N 1.04 0.85 -0.48 0.04 3.64 -0.93 0.96 116.57 121.70 3lfo h LYS 9 Ca 0.45 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3lfo h LYS 9 Cb 0.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3lfo h LYS 9 CO -0.21 0.89 0.07 0.00 -2.27 0.00 0.00 179.45 177.94 3lfo h ALA 10 N 1.15 0.63 -0.60 5.00 0.00 -0.66 0.78 119.26 125.55 3lfo h ALA 10 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3lfo h ALA 10 Cb 0.56 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3lfo h ALA 10 CO 0.03 0.36 0.37 1.96 0.00 0.00 0.00 179.25 181.98 3lfo h GLN 11 N 0.66 0.72 0.00 0.00 4.20 -0.75 0.19 115.11 120.13 3lfo h GLN 11 Ca 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3lfo h GLN 11 Cb 0.40 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3lfo h GLN 11 CO 0.01 0.47 -0.12 -0.44 -0.67 0.00 0.00 178.83 178.08 3lfo h ASP 12 N 0.74 0.00 0.00 1.46 3.32 -0.39 -3.38 116.42 118.17 3lfo h ASP 12 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3lfo h ASP 12 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3lfo h ASP 12 CO -0.10 0.10 -0.04 0.35 -1.72 0.00 0.00 179.24 177.84 3lfo n THR 13 N -3.12 0.00 -1.12 0.35 -2.24 0.23 -5.07 114.28 103.31 3lfo n THR 13 Ca 0.03 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3lfo n THR 13 Cb 0.57 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 3lfo n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lfo n GLY 14 N 0.73 5.34 2.76 3.38 0.00 0.66 -4.29 105.19 113.77 3lfo n GLY 14 Ca 0.00 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 3lfo n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lfo s LYS 15 N 3.32 0.36 0.08 1.61 2.20 0.31 -4.80 119.74 122.82 3lfo s LYS 15 Ca 0.00 0.17 0.10 0.00 -0.36 0.00 0.00 55.97 55.88 3lfo s LYS 15 Cb 0.00 -0.74 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 3lfo s LYS 15 CO 0.00 -0.27 -0.26 0.96 -0.36 0.00 0.00 175.35 175.42 3lfo s ILE 16 N 1.81 2.21 -0.16 5.43 -0.00 -1.26 -1.05 121.20 128.18 3lfo s ILE 16 Ca 0.02 -1.52 0.01 0.00 -0.00 0.00 0.00 60.65 59.15 3lfo s ILE 16 Cb -0.12 -1.90 0.00 0.00 -0.00 0.00 0.00 42.46 40.43 3lfo s ILE 16 CO -0.04 0.27 -0.17 0.68 -0.00 0.00 0.00 174.94 175.68 3lfo s VAL 17 N -0.90 2.48 0.01 8.37 -7.23 -0.25 -4.95 120.40 117.93 3lfo s VAL 17 Ca 0.13 -0.83 -0.09 0.00 -1.81 0.00 0.00 61.98 59.38 3lfo s VAL 17 Cb -0.10 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 3lfo s VAL 17 CO 0.04 0.52 0.31 -0.04 -0.31 0.00 0.00 175.10 175.62 3lfo s MET 18 N 0.92 3.67 0.00 4.82 -1.94 -1.26 -1.04 119.30 124.47 3lfo s MET 18 Ca -0.04 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.01 3lfo s MET 18 Cb -0.15 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.60 3lfo s MET 18 CO -0.02 0.64 0.00 0.41 -0.01 0.00 0.00 175.02 176.04 3lfo n GLY 19 N 1.26 2.67 0.18 -0.03 0.00 0.36 -4.49 105.19 105.16 3lfo n GLY 19 Ca -0.12 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 3lfo n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lfo h ALA 20 N 0.00 0.55 -0.27 4.61 0.00 -1.92 -0.90 119.26 121.32 3lfo h ALA 20 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3lfo h ALA 20 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3lfo h ALA 20 CO 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 179.25 179.22 3lfo h ARG 21 N 0.47 0.43 -0.60 0.00 3.08 -1.95 -0.94 114.38 114.87 3lfo h ARG 21 Ca 0.18 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3lfo h ARG 21 Cb 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3lfo h ARG 21 CO -0.11 0.49 0.02 0.87 -1.07 0.00 0.00 179.97 180.16 3lfo h LYS 22 N 0.28 1.03 -0.47 0.04 1.79 -1.77 -0.76 116.57 116.71 3lfo h LYS 22 Ca 0.09 -0.31 0.03 0.00 -2.18 0.00 0.00 60.65 58.28 3lfo h LYS 22 Cb 0.24 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3lfo h LYS 22 CO -0.00 1.00 0.26 0.77 -1.08 0.00 0.00 179.45 180.40 3lfo h SER 23 N 0.95 0.41 -0.43 0.86 0.02 -0.92 -0.09 113.55 114.35 3lfo h SER 23 Ca 0.17 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3lfo h SER 23 Cb 0.52 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3lfo h SER 23 CO 0.03 0.29 0.17 0.40 -1.14 0.00 0.00 176.83 176.58 3lfo h ILE 24 N 0.53 1.20 -0.43 3.27 2.04 -1.04 -0.95 117.51 122.13 3lfo h ILE 24 Ca 0.20 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3lfo h ILE 24 Cb 0.05 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3lfo h ILE 24 CO -0.11 0.23 0.21 -0.61 0.00 0.00 0.00 178.15 177.87 3lfo h GLN 25 N 0.54 0.63 0.00 2.37 4.15 -0.77 -1.02 115.11 121.01 3lfo h GLN 25 Ca 0.14 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 3lfo h GLN 25 Cb 0.19 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3lfo h GLN 25 CO -0.01 0.54 -0.52 1.88 -1.93 0.00 0.00 178.83 178.79 3lfo h TYR 26 N 0.56 0.00 -0.20 3.99 0.05 -0.97 -2.42 116.97 117.98 3lfo h TYR 26 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 3lfo h TYR 26 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3lfo h TYR 26 CO -0.01 0.52 0.07 0.00 -1.05 0.00 0.00 178.16 177.69 3lfo h ALA 27 N 1.48 0.26 -0.40 3.88 0.00 -0.88 0.13 119.26 123.73 3lfo h ALA 27 Ca -0.01 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3lfo h ALA 27 Cb 0.94 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3lfo h ALA 27 CO 0.07 -0.13 0.21 0.87 0.00 0.00 0.00 179.25 180.27 3lfo h LYS 28 N 0.16 0.42 -0.30 0.00 1.57 -0.97 -1.88 116.57 115.57 3lfo h LYS 28 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3lfo h LYS 28 Cb 0.20 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3lfo h LYS 28 CO -0.00 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 3lfo n MET 29 N -4.90 1.92 -1.16 3.15 0.00 -0.93 -4.94 117.12 110.26 3lfo n MET 29 Ca 0.02 -1.41 -0.06 0.00 0.00 0.00 0.00 57.70 56.25 3lfo n MET 29 Cb 0.09 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 31.90 3lfo n MET 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3lfo n GLY 30 N 1.19 0.81 0.13 3.17 0.00 -0.71 -4.91 105.19 104.88 3lfo n GLY 30 Ca 0.16 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.50 3lfo n GLY 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3lfo h GLY 31 N 0.00 0.00 -3.82 -0.02 0.00 -1.04 -3.45 103.07 94.74 3lfo h GLY 31 Ca -0.11 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.72 3lfo h GLY 31 CO 0.17 0.00 0.42 0.00 0.00 0.00 0.00 176.54 177.13 3lfo s ALA 32 N -3.13 3.37 -0.11 3.60 0.00 -0.71 -4.58 121.76 120.21 3lfo s ALA 32 Ca 0.01 0.77 0.16 0.00 0.00 0.00 0.00 51.96 52.90 3lfo s ALA 32 Cb 0.08 -3.28 -0.20 0.00 0.00 0.00 0.00 23.12 19.72 3lfo s ALA 32 CO 0.77 -0.01 0.59 1.63 0.00 0.00 0.00 175.76 178.74 3lfo n LYS 33 N 1.47 0.64 -3.66 0.00 4.76 0.49 -4.92 118.16 116.95 3lfo n LYS 33 Ca -0.01 0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.46 3lfo n LYS 33 Cb 0.46 -1.72 -0.08 0.00 -1.84 0.00 0.00 35.03 31.85 3lfo n LYS 33 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3lfo s LEU 34 N -5.71 -0.47 -0.10 -0.35 2.96 -1.23 -4.45 118.68 109.33 3lfo s LEU 34 Ca -0.05 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.15 3lfo s LEU 34 Cb 0.08 2.19 -0.02 0.00 0.50 0.00 0.00 46.19 48.94 3lfo s LEU 34 CO 0.83 -0.22 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.91 3lfo s ILE 35 N 0.42 3.46 -0.15 6.68 -1.09 -0.46 -0.24 121.20 129.81 3lfo s ILE 35 Ca -0.01 -0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3lfo s ILE 35 Cb -0.05 -2.43 -0.01 0.00 -1.58 0.00 0.00 42.46 38.39 3lfo s ILE 35 CO -0.00 0.56 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.52 3lfo s ILE 36 N -0.28 3.03 -0.03 2.92 1.01 -0.07 -0.94 121.20 126.84 3lfo s ILE 36 Ca 0.03 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.10 3lfo s ILE 36 Cb -0.13 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3lfo s ILE 36 CO 0.03 0.50 -0.24 0.68 0.00 0.00 0.00 174.94 175.91 3lfo s VAL 37 N 0.67 1.94 0.32 2.92 -7.23 -0.21 -0.83 120.40 117.98 3lfo s VAL 37 Ca -0.06 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 3lfo s VAL 37 Cb -0.15 -1.62 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 3lfo s VAL 37 CO 0.02 0.55 1.28 0.00 -0.31 0.00 0.00 175.10 176.64 3lfo s ALA 38 N -0.42 3.49 0.51 1.32 0.00 0.12 -0.96 121.76 125.82 3lfo s ALA 38 Ca 0.05 1.20 0.25 0.00 0.00 0.00 0.00 51.96 53.46 3lfo s ALA 38 Cb -0.11 -3.46 1.36 0.00 0.00 0.00 0.00 23.12 20.91 3lfo s ALA 38 CO 0.01 -0.57 1.95 0.07 0.00 0.00 0.00 175.76 177.22 3lfo h ARG 39 N 3.56 0.08 -0.54 0.00 0.11 -1.00 -0.94 114.38 115.64 3lfo h ARG 39 Ca -0.48 -0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.46 3lfo h ARG 39 Cb 1.22 -0.02 -0.08 0.00 1.11 0.00 0.00 29.97 32.21 3lfo h ARG 39 CO 0.66 0.05 0.13 0.27 0.10 0.00 0.00 179.97 181.18 3lfo n ASN 40 N -4.37 4.36 -4.57 0.08 6.94 -1.26 -4.97 115.26 111.46 3lfo n ASN 40 Ca 0.13 -3.22 -0.43 0.00 -0.02 0.00 0.00 54.58 51.04 3lfo n ASN 40 Cb 0.69 -0.67 -0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3lfo n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3lfo n ALA 41 N -0.31 -0.36 -1.82 -2.53 0.00 -0.36 -4.80 120.51 110.32 3lfo n ALA 41 Ca 0.34 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.65 3lfo n ALA 41 Cb 1.19 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3lfo n ALA 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3lfo s ARG 42 N -1.72 4.18 0.30 0.00 3.52 -1.26 -4.56 118.95 119.40 3lfo s ARG 42 Ca 0.61 2.47 0.04 0.00 -0.13 0.00 0.00 55.73 58.73 3lfo s ARG 42 Cb -0.63 -3.09 0.67 0.00 -1.56 0.00 0.00 34.95 30.34 3lfo s ARG 42 CO 0.58 -0.61 1.80 -1.35 -0.81 0.00 0.00 175.30 174.92 3lfo h PRO 43 N 5.82 0.83 -0.38 5.12 0.11 -1.97 0.65 132.00 142.18 3lfo h PRO 43 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3lfo h PRO 43 Cb 1.21 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3lfo h PRO 43 CO 0.86 0.55 0.16 0.38 -0.21 0.00 0.00 178.00 179.73 3lfo h ASP 44 N 0.86 0.52 -0.15 -2.05 2.03 -2.00 -1.76 116.42 113.88 3lfo h ASP 44 Ca 0.55 -0.16 -0.01 0.00 -0.73 0.00 0.00 57.03 56.67 3lfo h ASP 44 Cb 0.74 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 3lfo h ASP 44 CO -0.33 0.55 0.06 0.40 -1.03 0.00 0.00 179.24 178.88 3lfo h ILE 45 N 0.47 1.15 -0.65 4.15 2.04 -1.64 -2.52 117.51 120.52 3lfo h ILE 45 Ca 0.13 -0.45 0.10 0.00 1.00 0.00 0.00 64.86 65.64 3lfo h ILE 45 Cb 0.18 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 3lfo h ILE 45 CO -0.01 0.14 0.26 0.50 0.00 0.00 0.00 178.15 179.04 3lfo h LYS 46 N 0.08 0.44 -0.52 2.37 3.64 -0.86 -0.26 116.57 121.45 3lfo h LYS 46 Ca 0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3lfo h LYS 46 Cb 0.17 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3lfo h LYS 46 CO -0.00 0.29 0.33 0.93 -2.27 0.00 0.00 179.45 178.72 3lfo h GLU 47 N 0.45 0.70 -0.55 1.90 5.08 -1.17 0.80 114.58 121.78 3lfo h GLU 47 Ca 0.33 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3lfo h GLU 47 Cb 0.41 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3lfo h GLU 47 CO -0.31 0.50 0.17 -0.44 -1.00 0.00 0.00 179.01 177.92 3lfo h ASP 48 N 0.71 0.81 -0.06 1.42 3.32 -1.00 0.61 116.42 122.23 3lfo h ASP 48 Ca 0.19 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3lfo h ASP 48 Cb -0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3lfo h ASP 48 CO -0.04 0.80 0.04 0.40 -1.72 0.00 0.00 179.24 178.72 3lfo h ILE 49 N 0.77 1.07 -0.87 0.35 2.04 -0.57 -1.47 117.51 118.84 3lfo h ILE 49 Ca 0.18 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3lfo h ILE 49 Cb 0.28 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3lfo h ILE 49 CO -0.01 0.06 0.45 -0.33 0.00 0.00 0.00 178.15 178.32 3lfo h GLU 50 N 0.02 1.23 0.45 2.37 5.08 -0.71 -0.79 114.58 122.23 3lfo h GLU 50 Ca 0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3lfo h GLU 50 Cb 0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3lfo h GLU 50 CO -0.00 0.91 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.78 3lfo h TYR 51 N 1.22 -0.56 -0.73 4.33 3.20 -0.63 -1.15 116.97 122.65 3lfo h TYR 51 Ca 0.30 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3lfo h TYR 51 Cb 0.07 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3lfo h TYR 51 CO 0.01 -0.32 0.39 1.88 -1.64 0.00 0.00 178.16 178.48 3lfo h TYR 52 N -0.65 1.01 -0.15 -3.82 0.05 -1.15 0.24 116.97 112.49 3lfo h TYR 52 Ca -0.06 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3lfo h TYR 52 Cb 0.49 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3lfo h TYR 52 CO -0.03 0.71 0.07 0.00 -1.05 0.00 0.00 178.16 177.86 3lfo h ALA 53 N 1.40 0.20 -0.59 3.88 0.00 -1.06 -2.36 119.26 120.73 3lfo h ALA 53 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3lfo h ALA 53 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3lfo h ALA 53 CO -0.04 -0.24 0.35 -0.09 0.00 0.00 0.00 179.25 179.23 3lfo h ARG 54 N 0.12 0.80 -0.68 0.00 2.43 -0.62 0.13 114.38 116.55 3lfo h ARG 54 Ca 0.05 -0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 3lfo h ARG 54 Cb 0.12 -0.17 -0.11 0.00 -0.42 0.00 0.00 29.97 29.40 3lfo h ARG 54 CO -0.01 0.58 0.11 1.25 -1.51 0.00 0.00 179.97 180.39 3lfo h LEU 55 N 0.79 -0.09 -0.75 3.80 5.85 -0.38 -2.12 115.31 122.41 3lfo h LEU 55 Ca 0.21 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3lfo h LEU 55 Cb -0.01 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3lfo h LEU 55 CO -0.04 -0.06 -0.20 -1.20 -0.34 0.00 0.00 178.44 176.60 3lfo n SER 56 N -5.20 1.37 -0.84 1.25 7.64 -0.90 -4.95 113.62 111.99 3lfo n SER 56 Ca 0.12 -1.18 -0.09 0.00 1.01 0.00 0.00 58.87 58.73 3lfo n SER 56 Cb 0.41 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 3lfo n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lfo n GLY 57 N 1.31 0.62 3.68 0.23 0.00 0.23 -5.02 105.19 106.24 3lfo n GLY 57 Ca 0.14 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 3lfo n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lfo s ILE 58 N -2.38 5.00 0.43 -0.61 1.01 0.06 -5.00 121.20 119.70 3lfo s ILE 58 Ca 0.00 1.35 -0.26 0.00 0.00 0.00 0.00 60.65 61.75 3lfo s ILE 58 Cb 0.00 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 3lfo s ILE 58 CO 0.00 0.13 1.36 -2.16 0.00 0.00 0.00 174.94 174.28 3lfo s PRO 59 N 1.63 3.83 -0.11 2.79 0.04 -1.26 -4.37 135.00 137.55 3lfo s PRO 59 Ca 0.33 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.66 3lfo s PRO 59 Cb -0.16 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 3lfo s PRO 59 CO 0.13 -0.65 -0.13 0.08 0.04 0.00 0.00 177.00 176.47 3lfo s VAL 60 N -1.23 3.12 -0.16 -0.36 1.01 -1.26 -1.36 120.40 120.16 3lfo s VAL 60 Ca 0.59 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3lfo s VAL 60 Cb -0.41 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3lfo s VAL 60 CO 0.52 0.54 -0.11 -0.47 0.00 0.00 0.00 175.10 175.58 3lfo s TYR 61 N 0.03 2.85 -0.51 5.22 6.14 -0.11 -4.98 117.35 125.98 3lfo s TYR 61 Ca -0.04 -0.85 -0.22 0.00 0.64 0.00 0.00 57.07 56.60 3lfo s TYR 61 Cb -0.14 -1.93 0.04 0.00 0.42 0.00 0.00 41.96 40.35 3lfo s TYR 61 CO 0.04 -0.38 0.76 -2.00 0.64 0.00 0.00 175.55 174.61 3lfo s GLU 62 N 0.78 3.25 0.11 4.97 2.12 -1.26 -1.04 118.70 127.63 3lfo s GLU 62 Ca -0.04 -0.50 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 3lfo s GLU 62 Cb -0.15 -4.04 -0.10 0.00 0.26 0.00 0.00 34.13 30.10 3lfo s GLU 62 CO 0.01 -1.27 1.73 0.12 -0.54 0.00 0.00 175.26 175.31 3lfo s PHE 63 N 3.21 2.36 -1.40 5.30 5.36 -0.14 -4.88 117.98 127.78 3lfo s PHE 63 Ca 0.23 0.18 -0.11 0.00 -0.96 0.00 0.00 56.93 56.28 3lfo s PHE 63 Cb -0.15 -4.07 0.08 0.00 -0.34 0.00 0.00 43.02 38.53 3lfo s PHE 63 CO 0.17 -4.32 2.23 0.39 -1.46 0.00 0.00 175.22 172.23 3lfo n GLU 64 N 5.45 3.47 -3.61 10.12 -0.58 -1.26 -1.71 120.64 132.51 3lfo n GLU 64 Ca 0.17 -2.98 -0.02 0.00 -0.42 0.00 0.00 57.16 53.91 3lfo n GLU 64 Cb 0.39 -3.01 -0.01 0.00 -0.57 0.00 0.00 31.44 28.24 3lfo n GLU 64 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3lfo s GLY 65 N 1.86 -0.35 0.62 0.62 0.00 -1.26 -5.02 107.32 103.78 3lfo s GLY 65 Ca 0.49 1.04 -0.06 0.00 0.00 0.00 0.00 44.72 46.19 3lfo s GLY 65 CO -0.05 0.30 0.92 -0.51 0.00 0.00 0.00 173.10 173.76 3lfo s THR 66 N -2.54 3.23 0.43 0.90 -4.23 -1.26 -2.46 115.64 109.70 3lfo s THR 66 Ca 0.11 -0.12 0.20 0.00 -1.18 0.00 0.00 61.69 60.71 3lfo s THR 66 Cb 0.02 -3.30 0.22 0.00 1.34 0.00 0.00 72.50 70.77 3lfo s THR 66 CO -0.04 -0.31 2.01 0.77 -0.54 0.00 0.00 174.62 176.51 3lfo h SER 67 N -0.27 0.00 0.16 3.99 4.64 -1.89 0.36 113.55 120.55 3lfo h SER 67 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3lfo h SER 67 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3lfo h SER 67 CO 0.60 0.17 -0.08 0.58 -0.87 0.00 0.00 176.83 177.23 3lfo h VAL 68 N 0.00 0.93 -0.88 0.95 2.07 -1.92 -0.99 116.25 116.41 3lfo h VAL 68 Ca -0.00 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3lfo h VAL 68 Cb 0.35 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3lfo h VAL 68 CO 0.02 0.10 0.58 -0.33 0.02 0.00 0.00 177.57 177.96 3lfo h GLU 69 N -0.42 1.07 -0.25 1.57 5.08 -1.75 -1.07 114.58 118.82 3lfo h GLU 69 Ca -0.02 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3lfo h GLU 69 Cb 0.33 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3lfo h GLU 69 CO 0.04 0.71 -0.23 1.25 -1.00 0.00 0.00 179.01 179.77 3lfo h LEU 70 N 1.10 0.63 -0.80 1.33 5.85 -0.95 0.37 115.31 122.84 3lfo h LEU 70 Ca 0.35 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3lfo h LEU 70 Cb 0.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3lfo h LEU 70 CO -0.10 0.97 0.26 1.23 -0.34 0.00 0.00 178.44 180.46 3lfo h GLY 71 N 0.30 1.24 1.01 3.75 0.00 -1.08 -2.05 103.07 106.25 3lfo h GLY 71 Ca 0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 3lfo h GLY 71 CO 0.06 0.66 -0.10 -0.84 0.00 0.00 0.00 176.54 176.32 3lfo h THR 72 N 1.11 1.27 -0.80 4.70 2.02 -0.95 -0.14 112.91 120.13 3lfo h THR 72 Ca 0.25 -1.21 0.11 0.00 0.77 0.00 0.00 66.41 66.34 3lfo h THR 72 Cb 0.27 1.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 3lfo h THR 72 CO -0.01 0.41 0.42 -0.07 0.37 0.00 0.00 175.52 176.64 3lfo h LEU 73 N 0.67 0.54 -0.04 2.58 4.07 -0.66 -0.38 115.31 122.10 3lfo h LEU 73 Ca 0.11 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3lfo h LEU 73 Cb 0.64 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.35 3lfo h LEU 73 CO 0.04 0.28 0.00 0.18 -1.08 0.00 0.00 178.44 177.86 3lfo n LEU 74 N -4.83 0.06 -0.51 1.67 4.77 -0.79 -4.84 117.00 112.52 3lfo n LEU 74 Ca 0.14 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3lfo n LEU 74 Cb 0.34 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3lfo n LEU 74 CO 0.24 0.01 -0.06 0.61 -1.33 0.00 0.00 177.39 176.86 3lfo n GLY 75 N 0.69 0.82 3.88 -0.72 0.00 -0.15 -5.02 105.19 104.70 3lfo n GLY 75 Ca 0.09 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3lfo n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lfo s ARG 76 N -2.67 3.55 0.00 1.61 1.81 -0.12 -4.99 118.95 118.14 3lfo s ARG 76 Ca 0.00 -0.09 0.12 0.00 -1.72 0.00 0.00 55.73 54.04 3lfo s ARG 76 Cb 0.00 -3.12 0.71 0.00 -0.45 0.00 0.00 34.95 32.09 3lfo s ARG 76 CO 0.00 0.69 1.38 -0.35 -0.68 0.00 0.00 175.30 176.34 3lfo n PRO 77 N 1.37 0.90 -4.38 3.54 -0.04 -1.26 -4.11 135.00 131.02 3lfo n PRO 77 Ca -0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.13 3lfo n PRO 77 Cb 0.53 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 3lfo n PRO 77 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3lfo s HIS 78 N -2.00 1.77 0.54 0.54 -3.43 -1.26 -5.10 115.29 106.34 3lfo s HIS 78 Ca 0.18 -0.82 -0.21 0.00 -0.80 0.00 0.00 55.06 53.41 3lfo s HIS 78 Cb 0.08 -1.03 -0.05 0.00 -1.43 0.00 0.00 32.58 30.15 3lfo s HIS 78 CO 0.14 0.11 1.21 0.95 -2.00 0.00 0.00 174.74 175.16 3lfo s THR 79 N -3.22 2.74 -0.19 -5.38 -4.23 -1.26 -4.42 115.64 99.67 3lfo s THR 79 Ca 0.29 0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 61.30 3lfo s THR 79 Cb 0.05 -3.23 0.05 0.00 1.34 0.00 0.00 72.50 70.71 3lfo s THR 79 CO 0.10 -0.05 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.42 3lfo s VAL 80 N -1.54 1.03 -0.30 2.29 1.01 -0.45 -4.84 120.40 117.59 3lfo s VAL 80 Ca 0.71 -0.77 0.22 0.00 0.00 0.00 0.00 61.98 62.14 3lfo s VAL 80 Cb -0.31 -1.34 0.13 0.00 0.00 0.00 0.00 36.38 34.86 3lfo s VAL 80 CO 0.36 -0.05 1.28 0.77 0.00 0.00 0.00 175.10 177.46 3lfo h SER 81 N 8.11 0.00 -4.99 3.32 4.64 -1.95 -3.38 113.55 119.31 3lfo h SER 81 Ca -0.20 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3lfo h SER 81 Cb 1.10 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.09 3lfo h SER 81 CO 0.38 0.08 0.36 0.00 -0.87 0.00 0.00 176.83 176.78 3lfo s ALA 82 N -3.24 -1.59 0.16 5.18 0.00 -1.26 0.12 121.76 121.13 3lfo s ALA 82 Ca 0.03 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 3lfo s ALA 82 Cb 0.08 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.93 3lfo s ALA 82 CO 0.74 -0.88 0.48 -0.48 0.00 0.00 0.00 175.76 175.62 3lfo s LEU 83 N -2.77 0.14 -0.09 0.00 0.05 -0.01 -0.48 118.68 115.52 3lfo s LEU 83 Ca 0.07 -0.36 0.02 0.00 0.05 0.00 0.00 54.13 53.91 3lfo s LEU 83 Cb -0.02 2.06 -0.02 0.00 -2.05 0.00 0.00 46.19 46.16 3lfo s LEU 83 CO -0.04 -0.96 -0.14 0.00 -0.55 0.00 0.00 176.35 174.66 3lfo s ALA 84 N -3.83 2.63 -0.47 1.48 0.00 -0.20 -0.89 121.76 120.47 3lfo s ALA 84 Ca 0.06 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 3lfo s ALA 84 Cb 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 22.07 3lfo s ALA 84 CO -0.08 0.40 0.89 0.08 0.00 0.00 0.00 175.76 177.05 3lfo s VAL 85 N -0.17 4.51 -0.08 0.00 1.01 0.67 -1.09 120.40 125.24 3lfo s VAL 85 Ca -0.00 0.63 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 3lfo s VAL 85 Cb -0.13 -4.42 -0.27 0.00 0.00 0.00 0.00 36.38 31.56 3lfo s VAL 85 CO 0.03 -0.83 0.51 0.58 0.00 0.00 0.00 175.10 175.40 3lfo h VAL 86 N 6.05 0.77 -3.06 2.92 2.07 -1.34 0.14 116.25 123.81 3lfo h VAL 86 Ca -0.24 -2.46 -0.26 0.00 0.82 0.00 0.00 66.70 64.56 3lfo h VAL 86 Cb 1.08 2.59 -0.34 0.00 -1.52 0.00 0.00 31.29 33.10 3lfo h VAL 86 CO 1.02 0.85 -0.59 -0.62 0.02 0.00 0.00 177.57 178.24 3lfo s ASP 87 N -7.01 0.42 0.00 0.57 -1.08 -0.67 -4.65 116.67 104.25 3lfo s ASP 87 Ca -0.18 0.40 0.18 0.00 -0.52 0.00 0.00 52.55 52.44 3lfo s ASP 87 Cb 0.06 0.37 0.86 0.00 -1.46 0.00 0.00 42.92 42.75 3lfo s ASP 87 CO 0.80 -0.22 1.57 -0.81 0.52 0.00 0.00 175.17 177.03 3lfo n PRO 88 N 5.04 0.15 0.00 4.34 -0.04 -1.26 -0.53 135.00 142.70 3lfo n PRO 88 Ca -0.11 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3lfo n PRO 88 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3lfo n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3lfo n GLY 89 N 0.31 3.72 0.28 0.55 0.00 -1.26 -1.45 105.19 107.34 3lfo n GLY 89 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3lfo n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lfo n ALA 90 N 11.84 3.06 -1.84 4.61 0.00 -1.26 -4.92 120.51 132.00 3lfo n ALA 90 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 3lfo n ALA 90 Cb 0.00 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.41 3lfo n ALA 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3lfo s SER 91 N -2.46 4.73 -0.32 0.00 1.04 -0.53 -4.98 113.70 111.18 3lfo s SER 91 Ca 0.25 0.95 0.10 0.00 0.48 0.00 0.00 55.95 57.73 3lfo s SER 91 Cb 0.19 -1.57 0.76 0.00 0.10 0.00 0.00 66.02 65.50 3lfo s SER 91 CO 0.51 -1.78 1.82 0.00 0.98 0.00 0.00 173.24 174.77 3lfo n ALA 92 N -3.26 4.56 -0.11 5.32 0.00 -1.26 -4.71 120.51 121.05 3lfo n ALA 92 Ca 0.07 -2.30 0.05 0.00 0.00 0.00 0.00 53.44 51.27 3lfo n ALA 92 Cb 0.59 -1.25 0.37 0.00 0.00 0.00 0.00 19.45 19.16 3lfo n ALA 92 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3lfo h ILE 93 N 2.84 1.07 0.00 0.00 6.09 -1.87 -2.31 117.51 123.33 3lfo h ILE 93 Ca 0.25 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 3lfo h ILE 93 Cb 2.34 0.31 -0.00 0.00 0.47 0.00 0.00 36.82 39.93 3lfo h ILE 93 CO 0.73 0.13 -0.11 -0.07 -3.07 0.00 0.00 178.15 175.76 3lfo h LEU 94 N 0.70 0.00 -2.42 2.19 3.38 -1.95 -2.20 115.31 115.01 3lfo h LEU 94 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3lfo h LEU 94 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3lfo h LEU 94 CO -0.07 0.11 -0.03 0.00 0.09 0.00 0.00 178.44 178.55 3lfo h ALA 95 N 1.89 1.35 -0.08 1.53 0.00 -1.75 -0.07 119.26 122.13 3lfo h ALA 95 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3lfo h ALA 95 Cb 0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3lfo h ALA 95 CO 0.01 0.04 0.36 -0.07 0.00 0.00 0.00 179.25 179.59 3lfo h LEU 96 N 0.00 0.00 -0.07 0.00 3.38 -1.57 -2.43 115.31 114.63 3lfo h LEU 96 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lfo h LEU 96 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3lfo h LEU 96 CO 0.00 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.10 3lfo n GLY 97 N -1.28 -1.19 0.80 0.83 0.00 -0.04 -4.79 105.19 99.52 3lfo n GLY 97 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3lfo n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lfo n GLY 98 N 1.30 -3.01 0.73 -0.02 0.00 -0.91 -4.68 105.19 98.59 3lfo n GLY 98 Ca 0.14 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.37 3lfo n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lfo n LYS 99 N -0.18 2.01 0.00 1.61 4.76 -1.26 -4.87 118.16 120.23 3lfo n LYS 99 Ca 0.00 -1.47 0.04 0.00 -2.87 0.00 0.00 58.31 54.02 3lfo n LYS 99 Cb 0.00 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 31.75 3lfo n LYS 99 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42