#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyi n ASP 2 N 0.00 -1.29 0.05 0.00 2.03 -1.26 -4.76 116.55 111.32 1cyi n ASP 2 Ca 0.00 0.47 -0.08 0.00 0.52 0.00 0.00 54.79 55.71 1cyi n ASP 2 Cb 0.00 1.45 -0.12 0.00 -0.72 0.00 0.00 41.12 41.73 1cyi n ASP 2 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1cyi h LEU 3 N 0.00 0.03 -0.34 -2.67 5.85 -1.99 -2.48 115.31 113.72 1cyi h LEU 3 Ca 0.00 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 1cyi h LEU 3 Cb 0.00 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1cyi h LEU 3 CO 0.00 1.03 -0.80 0.00 -0.34 0.00 0.00 178.44 178.33 1cyi h ALA 4 N 0.97 0.54 -0.52 1.25 0.00 -1.94 -1.75 119.26 117.80 1cyi h ALA 4 Ca -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1cyi h ALA 4 Cb 1.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1cyi h ALA 4 CO 0.13 0.80 0.21 1.25 0.00 0.00 0.00 179.25 181.64 1cyi h LEU 5 N 0.24 0.72 -1.19 0.00 5.85 -1.85 0.29 115.31 119.36 1cyi h LEU 5 Ca -0.04 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1cyi h LEU 5 Cb 1.39 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1cyi h LEU 5 CO 0.13 0.69 0.13 1.23 -0.34 0.00 0.00 178.44 180.28 1cyi h GLY 6 N 0.71 0.74 1.63 3.75 0.00 -1.34 0.96 103.07 109.53 1cyi h GLY 6 Ca 0.18 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 1cyi h GLY 6 CO -0.02 0.37 -0.64 0.00 0.00 0.00 0.00 176.54 176.26 1cyi h ALA 7 N 1.47 0.72 0.06 3.60 0.00 -0.69 0.23 119.26 124.64 1cyi h ALA 7 Ca 0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1cyi h ALA 7 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1cyi h ALA 7 CO -0.01 0.73 -0.03 0.37 0.00 0.00 0.00 179.25 180.32 1cyi h GLN 8 N 0.27 -0.08 -0.52 0.00 4.15 0.89 -1.38 115.11 118.44 1cyi h GLN 8 Ca -0.01 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1cyi h GLN 8 Cb 1.18 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 1cyi h GLN 8 CO 0.11 0.21 0.33 0.28 -1.93 0.00 0.00 178.83 177.82 1cyi h VAL 9 N -0.37 1.15 -0.19 2.39 2.07 0.10 -2.01 116.25 119.39 1cyi h VAL 9 Ca -0.01 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1cyi h VAL 9 Cb 0.33 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1cyi h VAL 9 CO 0.01 0.15 -0.14 0.15 0.02 0.00 0.00 177.57 177.76 1cyi h PHE 10 N 0.70 -0.36 -0.79 1.57 3.57 -0.37 -1.63 116.94 119.63 1cyi h PHE 10 Ca 0.19 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1cyi h PHE 10 Cb -0.04 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1cyi h PHE 10 CO -0.03 -0.21 0.36 -0.91 -2.23 0.00 0.00 178.31 175.28 1cyi h ASN 11 N -0.15 1.06 0.53 0.41 2.35 -1.09 0.14 115.58 118.83 1cyi h ASN 11 Ca 0.11 -0.15 -0.17 0.00 -0.55 0.00 0.00 56.30 55.54 1cyi h ASN 11 Cb 0.32 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1cyi h ASN 11 CO -0.28 0.92 -0.76 1.23 -1.65 0.00 0.00 177.43 176.89 1cyi h GLY 12 N 1.13 0.20 0.00 2.83 0.00 -1.07 -3.37 103.07 102.79 1cyi h GLY 12 Ca 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1cyi h GLY 12 CO -0.03 0.27 -1.02 0.70 0.00 0.00 0.00 176.54 176.46 1cyi n ASN 13 N -3.73 4.92 -0.09 0.19 3.02 -0.64 -4.85 115.26 114.08 1cyi n ASN 13 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.43 1cyi n ASN 13 Cb 0.73 0.87 -0.13 0.00 -0.61 0.00 0.00 39.78 40.63 1cyi n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cyi h ALA 15 N 0.72 1.37 -0.12 0.00 0.00 -1.52 -0.72 119.26 119.00 1cyi h ALA 15 Ca -0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1cyi h ALA 15 Cb 2.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1cyi h ALA 15 CO 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 179.25 179.07 1cyi h ALA 16 N 1.68 1.83 0.00 0.00 0.00 -1.86 -2.56 119.26 118.35 1cyi h ALA 16 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cyi h ALA 16 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cyi h ALA 16 CO -0.00 0.14 -0.74 0.00 0.00 0.00 0.00 179.25 178.64 1cyi n HIS 18 N -1.34 0.92 -1.68 0.00 8.25 -0.30 -1.20 115.22 119.86 1cyi n HIS 18 Ca 0.00 -1.72 -0.49 0.00 -0.26 0.00 0.00 57.72 55.25 1cyi n HIS 18 Cb 0.00 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 30.71 1cyi n HIS 18 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1cyi n MET 19 N -1.03 2.12 -1.71 -0.41 1.56 -0.96 -0.60 117.12 116.08 1cyi n MET 19 Ca 0.29 0.77 -0.15 0.00 -0.27 0.00 0.00 57.70 58.34 1cyi n MET 19 Cb 0.83 -2.63 -0.05 0.00 2.15 0.00 0.00 33.22 33.52 1cyi n MET 19 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1cyi n GLY 20 N 4.48 0.97 1.78 -5.12 0.00 -1.26 -2.48 105.19 103.55 1cyi n GLY 20 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cyi n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyi n GLY 21 N -1.08 0.55 0.89 -0.02 0.00 0.23 -4.07 105.19 101.69 1cyi n GLY 21 Ca -0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 1cyi n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cyi n ARG 22 N -2.89 0.74 -3.59 1.61 1.74 -1.04 0.28 116.66 113.53 1cyi n ARG 22 Ca 0.00 -0.68 -0.29 0.00 -0.77 0.00 0.00 57.85 56.11 1cyi n ARG 22 Cb 0.00 -0.09 -0.15 0.00 -1.02 0.00 0.00 32.46 31.20 1cyi n ARG 22 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1cyi s ASN 23 N -1.86 3.64 0.38 0.55 3.84 -1.25 -4.02 114.94 116.23 1cyi s ASN 23 Ca 0.14 -1.44 0.05 0.00 0.21 0.00 0.00 52.86 51.82 1cyi s ASN 23 Cb -0.01 -0.50 0.76 0.00 -0.55 0.00 0.00 41.25 40.96 1cyi s ASN 23 CO 0.09 -0.42 2.03 0.28 -2.79 0.00 0.00 177.10 176.29 1cyi h SER 24 N 8.23 0.59 0.29 -4.21 0.02 -1.51 -2.25 113.55 114.71 1cyi h SER 24 Ca -0.17 -0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.43 1cyi h SER 24 Cb 1.01 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 63.42 1cyi h SER 24 CO 0.44 0.42 -1.58 0.58 -1.14 0.00 0.00 176.83 175.55 1cyi h VAL 25 N 0.69 1.14 -2.60 2.27 2.07 -1.95 -3.41 116.25 114.46 1cyi h VAL 25 Ca 0.20 -2.67 -0.60 0.00 0.82 0.00 0.00 66.70 64.46 1cyi h VAL 25 Cb -0.04 2.88 -0.39 0.00 -1.52 0.00 0.00 31.29 32.22 1cyi h VAL 25 CO -0.05 0.84 -0.86 -0.04 0.02 0.00 0.00 177.57 177.49 1cyi s MET 26 N -2.60 1.26 0.32 1.57 -1.94 -1.20 -5.03 119.30 111.68 1cyi s MET 26 Ca -0.11 -2.31 0.15 0.00 -1.71 0.00 0.00 55.69 51.71 1cyi s MET 26 Cb 0.05 -1.93 1.10 0.00 2.01 0.00 0.00 34.83 36.06 1cyi s MET 26 CO 0.89 -1.33 1.42 -2.30 -0.01 0.00 0.00 175.02 173.69 1cyi n PRO 27 N 2.81 -0.06 -0.19 2.03 -0.02 -0.85 -0.57 135.00 138.15 1cyi n PRO 27 Ca 0.24 1.27 -0.10 0.00 -2.02 0.00 0.00 63.50 62.89 1cyi n PRO 27 Cb 0.43 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1cyi n PRO 27 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1cyi h GLU 28 N 0.00 1.05 -3.49 -0.52 9.09 -1.96 -3.37 114.58 115.38 1cyi h GLU 28 Ca 0.72 -0.37 -0.48 0.00 0.05 0.00 0.00 59.36 59.28 1cyi h GLU 28 Cb 1.84 -0.08 0.02 0.00 -1.65 0.00 0.00 28.75 28.88 1cyi h GLU 28 CO -0.73 1.07 2.84 1.63 0.05 0.00 0.00 179.01 183.87 1cyi n LYS 29 N -4.15 2.36 -1.71 1.06 4.76 0.27 -4.93 118.16 115.82 1cyi n LYS 29 Ca 0.02 -1.69 -0.30 0.00 -2.87 0.00 0.00 58.31 53.47 1cyi n LYS 29 Cb 0.39 -2.60 0.07 0.00 -1.84 0.00 0.00 35.03 31.05 1cyi n LYS 29 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1cyi s THR 30 N 3.34 3.23 -2.47 -0.18 2.01 -1.26 -4.57 115.64 115.75 1cyi s THR 30 Ca 0.47 0.40 0.24 0.00 0.31 0.00 0.00 61.69 63.11 1cyi s THR 30 Cb 0.12 -3.26 0.45 0.00 0.01 0.00 0.00 72.50 69.82 1cyi s THR 30 CO -0.02 -0.52 1.55 0.18 -0.69 0.00 0.00 174.62 175.11 1cyi n LEU 31 N -3.24 2.05 -4.88 4.42 4.32 0.14 -4.30 117.00 115.52 1cyi n LEU 31 Ca 0.07 -0.79 -0.30 0.00 -0.02 0.00 0.00 56.01 54.96 1cyi n LEU 31 Cb 0.57 -0.08 0.01 0.00 -1.62 0.00 0.00 43.42 42.29 1cyi n LEU 31 CO 0.57 0.40 0.67 1.51 -1.22 0.00 0.00 177.39 179.31 1cyi s ASP 32 N -1.74 6.24 0.25 -1.43 1.47 -1.26 -4.58 116.67 115.62 1cyi s ASP 32 Ca 0.34 1.33 -0.11 0.00 1.18 0.00 0.00 52.55 55.29 1cyi s ASP 32 Cb 0.20 -2.43 0.35 0.00 -0.34 0.00 0.00 42.92 40.70 1cyi s ASP 32 CO 0.30 -0.81 1.59 0.50 0.68 0.00 0.00 175.17 177.42 1cyi h LYS 33 N -0.21 -0.01 -0.69 2.11 3.64 -1.93 -2.33 116.57 117.15 1cyi h LYS 33 Ca -0.45 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1cyi h LYS 33 Cb 1.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1cyi h LYS 33 CO 0.62 -0.00 0.41 0.00 -2.27 0.00 0.00 179.45 178.21 1cyi h ALA 34 N 1.80 0.87 -0.51 5.00 0.00 -1.93 -2.23 119.26 122.25 1cyi h ALA 34 Ca 0.40 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1cyi h ALA 34 Cb 0.61 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1cyi h ALA 34 CO -0.86 0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.74 1cyi h ALA 35 N 1.21 0.69 -0.66 0.00 0.00 -1.76 -2.91 119.26 115.82 1cyi h ALA 35 Ca 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cyi h ALA 35 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1cyi h ALA 35 CO -0.05 0.50 0.37 -0.07 0.00 0.00 0.00 179.25 180.00 1cyi h LEU 36 N 0.76 0.82 -1.40 0.00 4.07 -1.26 0.91 115.31 119.22 1cyi h LEU 36 Ca 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1cyi h LEU 36 Cb 0.52 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1cyi h LEU 36 CO 0.03 0.67 -0.11 1.05 -1.08 0.00 0.00 178.44 179.00 1cyi h GLU 37 N 0.91 0.00 0.05 1.13 4.11 -1.37 0.20 114.58 119.61 1cyi h GLU 37 Ca 0.23 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.48 1cyi h GLU 37 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1cyi h GLU 37 CO -0.04 0.11 -0.94 0.37 0.07 0.00 0.00 179.01 178.58 1cyi h GLN 38 N 0.00 0.10 0.00 1.06 5.75 -1.18 -3.42 115.11 117.42 1cyi h GLN 38 Ca -0.00 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1cyi h GLN 38 Cb 0.58 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1cyi h GLN 38 CO 0.01 1.09 -1.90 0.66 -2.65 0.00 0.00 178.83 176.04 1cyi n TYR 39 N -4.28 0.00 -2.69 3.99 4.01 0.25 -4.98 117.16 113.47 1cyi n TYR 39 Ca -0.22 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 1cyi n TYR 39 Cb 0.71 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1cyi n TYR 39 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1cyi s LEU 40 N -4.36 4.34 0.02 7.72 2.96 0.05 -4.97 118.68 124.45 1cyi s LEU 40 Ca -0.07 1.66 -0.30 0.00 -0.22 0.00 0.00 54.13 55.19 1cyi s LEU 40 Cb 0.13 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.16 1cyi s LEU 40 CO 0.82 -0.31 1.94 -1.81 -1.32 0.00 0.00 176.35 175.67 1cyi s ASP 41 N 1.04 6.44 0.00 3.68 1.11 -1.26 -0.71 116.67 126.96 1cyi s ASP 41 Ca 0.52 2.60 0.00 0.00 0.18 0.00 0.00 52.55 55.85 1cyi s ASP 41 Cb -0.21 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1cyi s ASP 41 CO 0.26 -1.07 0.00 0.61 1.18 0.00 0.00 175.17 176.15 1cyi n GLY 42 N 4.54 0.97 3.31 0.21 0.00 -1.26 -4.76 105.19 108.20 1cyi n GLY 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1cyi n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyi n GLY 43 N -2.00 -2.19 3.54 -0.02 0.00 0.11 -4.74 105.19 99.89 1cyi n GLY 43 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1cyi n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cyi s PHE 44 N -0.21 2.48 -0.06 1.61 5.36 -1.26 -4.70 117.98 121.19 1cyi s PHE 44 Ca 0.00 -0.51 -0.25 0.00 -0.96 0.00 0.00 56.93 55.21 1cyi s PHE 44 Cb 0.00 -4.60 0.06 0.00 -0.34 0.00 0.00 43.02 38.14 1cyi s PHE 44 CO 0.00 -1.94 0.57 -1.59 -1.46 0.00 0.00 175.22 170.80 1cyi s LYS 45 N 5.05 0.91 0.32 10.12 -2.85 -1.26 -5.03 119.74 127.00 1cyi s LYS 45 Ca 0.38 0.21 0.06 0.00 -1.00 0.00 0.00 55.97 55.62 1cyi s LYS 45 Cb -0.05 0.42 0.74 0.00 -2.06 0.00 0.00 37.83 36.88 1cyi s LYS 45 CO 0.03 -0.26 1.82 0.28 0.10 0.00 0.00 175.35 177.32 1cyi h VAL 46 N 3.38 0.79 0.00 1.79 2.07 -1.91 -2.46 116.25 119.92 1cyi h VAL 46 Ca -0.28 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 1cyi h VAL 46 Cb 1.15 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1cyi h VAL 46 CO 0.36 0.14 -0.29 -0.08 0.02 0.00 0.00 177.57 177.72 1cyi h GLU 47 N 0.78 0.00 -0.06 1.57 4.22 -1.95 -1.98 114.58 117.16 1cyi h GLU 47 Ca 0.52 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.77 1cyi h GLU 47 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1cyi h GLU 47 CO -0.29 0.29 -0.78 0.77 -2.18 0.00 0.00 179.01 176.82 1cyi h SER 48 N 0.00 0.46 -0.23 1.04 0.02 -1.72 -2.37 113.55 110.74 1cyi h SER 48 Ca -0.00 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 1cyi h SER 48 Cb 0.53 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1cyi h SER 48 CO 0.04 1.07 -0.08 0.40 -1.14 0.00 0.00 176.83 177.12 1cyi h ILE 49 N 0.25 1.29 -0.25 3.27 2.04 -1.31 -2.47 117.51 120.33 1cyi h ILE 49 Ca -0.04 -1.10 0.05 0.00 1.00 0.00 0.00 64.86 64.77 1cyi h ILE 49 Cb 1.36 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.92 1cyi h ILE 49 CO 0.13 0.34 -0.10 0.40 0.00 0.00 0.00 178.15 178.93 1cyi h ILE 50 N 0.19 0.67 -0.87 -0.67 2.04 -1.34 -1.39 117.51 116.13 1cyi h ILE 50 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1cyi h ILE 50 Cb 0.55 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1cyi h ILE 50 CO 0.03 0.00 0.56 0.22 0.00 0.00 0.00 178.15 178.96 1cyi h TYR 51 N -0.05 1.05 -0.40 1.37 5.03 -1.36 -1.39 116.97 121.23 1cyi h TYR 51 Ca 0.13 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.37 1cyi h TYR 51 Cb 0.25 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.16 1cyi h TYR 51 CO -0.28 0.60 -0.15 0.37 -1.32 0.00 0.00 178.16 177.38 1cyi h GLN 52 N 1.09 0.74 -0.27 1.82 5.75 -0.98 -1.57 115.11 121.68 1cyi h GLN 52 Ca 0.35 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1cyi h GLN 52 Cb 0.02 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1cyi h GLN 52 CO -0.12 0.85 -0.03 0.28 -2.65 0.00 0.00 178.83 177.16 1cyi h VAL 53 N 0.66 1.27 -0.46 2.39 2.07 -0.81 0.91 116.25 122.28 1cyi h VAL 53 Ca 0.11 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1cyi h VAL 53 Cb 0.63 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1cyi h VAL 53 CO 0.04 0.31 0.09 -0.33 0.02 0.00 0.00 177.57 177.71 1cyi h GLU 54 N 0.26 0.74 0.00 1.57 5.08 -1.23 -1.08 114.58 119.92 1cyi h GLU 54 Ca 0.07 -0.19 -0.27 0.00 -1.00 0.00 0.00 59.36 57.98 1cyi h GLU 54 Cb 0.47 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1cyi h GLU 54 CO 0.02 0.75 -1.83 0.09 -1.00 0.00 0.00 179.01 177.04 1cyi n ASN 55 N -4.48 0.59 -0.17 1.42 3.02 -0.60 -3.49 115.26 111.55 1cyi n ASN 55 Ca 0.01 0.28 0.02 0.00 -0.03 0.00 0.00 54.58 54.85 1cyi n ASN 55 Cb 0.23 0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.77 1cyi n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cyi n GLY 56 N 1.55 -1.44 3.52 7.41 0.00 0.31 -4.34 105.19 112.21 1cyi n GLY 56 Ca -0.19 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1cyi n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cyi s LYS 57 N -1.28 0.28 6.56 1.61 2.20 -0.40 -4.85 119.74 123.85 1cyi s LYS 57 Ca 0.00 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1cyi s LYS 57 Cb 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1cyi s LYS 57 CO 0.00 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 1cyi n GLY 58 N 4.14 3.85 0.00 5.54 0.00 -1.26 0.32 105.19 117.79 1cyi n GLY 58 Ca -0.14 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1cyi n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyi n ALA 59 N 12.11 2.59 -2.65 4.61 0.00 -1.26 -4.69 120.51 131.21 1cyi n ALA 59 Ca 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 1cyi n ALA 59 Cb 0.00 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 1cyi n ALA 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1cyi s MET 60 N -2.00 4.15 0.61 0.00 0.00 0.15 -5.07 119.30 117.13 1cyi s MET 60 Ca 0.43 0.27 -0.15 0.00 0.00 0.00 0.00 55.69 56.23 1cyi s MET 60 Cb 0.20 -3.57 -0.03 0.00 0.00 0.00 0.00 34.83 31.42 1cyi s MET 60 CO 0.33 -0.15 1.06 -1.25 0.00 0.00 0.00 175.02 175.02 1cyi s PRO 61 N 1.64 3.24 0.09 4.11 0.04 -1.26 -1.28 135.00 141.58 1cyi s PRO 61 Ca 0.20 1.22 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 1cyi s PRO 61 Cb -0.15 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1cyi s PRO 61 CO 0.09 -0.88 0.72 0.00 0.04 0.00 0.00 177.00 176.97 1cyi s ALA 62 N -2.46 3.45 -1.05 8.56 0.00 -1.26 -4.22 121.76 124.78 1cyi s ALA 62 Ca 0.64 0.24 0.10 0.00 0.00 0.00 0.00 51.96 52.94 1cyi s ALA 62 Cb -0.16 -2.89 0.16 0.00 0.00 0.00 0.00 23.12 20.23 1cyi s ALA 62 CO 0.38 0.22 0.99 0.91 0.00 0.00 0.00 175.76 178.27 1cyi n TRP 63 N 2.13 0.18 0.27 0.00 7.02 -0.41 -4.63 117.44 122.00 1cyi n TRP 63 Ca -0.06 -0.22 0.10 0.00 -1.02 0.00 0.00 57.50 56.31 1cyi n TRP 63 Cb 0.50 -0.01 0.71 0.00 -2.42 0.00 0.00 31.31 30.09 1cyi n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1cyi h ALA 64 N 1.87 1.76 -0.58 6.99 0.00 -1.73 0.41 119.26 127.98 1cyi h ALA 64 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cyi h ALA 64 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1cyi h ALA 64 CO 0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 1cyi n ASP 65 N -4.23 3.64 0.00 0.00 8.00 -1.26 -4.35 116.55 118.34 1cyi n ASP 65 Ca -0.03 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1cyi n ASP 65 Cb 0.12 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1cyi n ASP 65 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1cyi n ARG 66 N 1.53 0.00 -3.70 -1.24 3.00 -0.88 -5.09 116.66 110.27 1cyi n ARG 66 Ca 0.22 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.87 1cyi n ARG 66 Cb 0.60 -0.66 -0.01 0.00 0.00 0.00 0.00 32.46 32.39 1cyi n ARG 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1cyi s LEU 67 N -5.01 4.06 0.51 6.15 1.02 0.08 -5.11 118.68 120.37 1cyi s LEU 67 Ca 0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 54.13 53.97 1cyi s LEU 67 Cb 0.00 -2.73 -0.03 0.00 0.02 0.00 0.00 46.19 43.45 1cyi s LEU 67 CO 0.00 -0.28 0.81 -0.94 0.02 0.00 0.00 176.35 175.96 1cyi s SER 68 N -4.07 6.12 0.22 2.29 1.04 -1.26 -4.74 113.70 113.30 1cyi s SER 68 Ca 0.40 0.88 -0.09 0.00 0.48 0.00 0.00 55.95 57.63 1cyi s SER 68 Cb -0.09 -2.13 0.19 0.00 0.10 0.00 0.00 66.02 64.09 1cyi s SER 68 CO 0.30 -0.68 1.89 -0.08 0.98 0.00 0.00 173.24 175.64 1cyi h GLU 69 N 0.14 1.05 -0.96 4.02 4.81 -1.97 -0.38 114.58 121.27 1cyi h GLU 69 Ca -0.47 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 58.78 1cyi h GLU 69 Cb 1.22 -0.24 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 1cyi h GLU 69 CO 0.61 0.69 0.61 1.49 -0.73 0.00 0.00 179.01 181.69 1cyi h GLU 70 N 1.08 1.06 0.00 1.92 4.57 -1.99 -0.39 114.58 120.82 1cyi h GLU 70 Ca 0.30 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.24 1cyi h GLU 70 Cb -0.10 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.23 1cyi h GLU 70 CO -0.07 0.70 -0.84 0.93 -1.18 0.00 0.00 179.01 178.55 1cyi h GLU 71 N 1.09 0.00 -0.24 1.92 5.08 -1.76 -1.85 114.58 118.82 1cyi h GLU 71 Ca 0.43 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.67 1cyi h GLU 71 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1cyi h GLU 71 CO -0.19 0.84 -0.37 0.82 -1.00 0.00 0.00 179.01 179.11 1cyi h ILE 72 N 0.00 1.29 -0.13 3.13 2.04 -0.04 -0.11 117.51 123.69 1cyi h ILE 72 Ca -0.01 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 1cyi h ILE 72 Cb 1.48 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1cyi h ILE 72 CO 0.11 0.47 -0.08 1.56 0.00 0.00 0.00 178.15 180.21 1cyi h GLN 73 N 0.45 0.29 -0.38 2.37 4.20 -1.09 -2.35 115.11 118.60 1cyi h GLN 73 Ca 0.05 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.66 1cyi h GLN 73 Cb 0.84 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 1cyi h GLN 73 CO 0.07 0.65 0.14 0.00 -0.67 0.00 0.00 178.83 179.02 1cyi h ALA 74 N 0.64 0.45 0.00 3.87 0.00 -1.25 -1.71 119.26 121.26 1cyi h ALA 74 Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1cyi h ALA 74 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1cyi h ALA 74 CO 0.02 -0.24 -0.44 -0.24 0.00 0.00 0.00 179.25 178.35 1cyi h VAL 75 N 0.31 1.05 -0.23 0.00 3.04 -1.04 -2.34 116.25 117.03 1cyi h VAL 75 Ca 0.17 -1.67 -0.16 0.00 -1.01 0.00 0.00 66.70 64.03 1cyi h VAL 75 Cb 0.14 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1cyi h VAL 75 CO -0.17 0.43 -0.52 0.00 -1.01 0.00 0.00 177.57 176.30 1cyi h ALA 76 N 1.56 0.65 -0.51 3.17 0.00 -0.88 -1.75 119.26 121.51 1cyi h ALA 76 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1cyi h ALA 76 Cb 0.94 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1cyi h ALA 76 CO 0.06 0.68 -0.05 0.93 0.00 0.00 0.00 179.25 180.87 1cyi h GLU 77 N 0.51 0.89 0.40 0.00 4.39 -1.20 0.53 114.58 120.10 1cyi h GLU 77 Ca 0.02 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1cyi h GLU 77 Cb 1.08 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1cyi h GLU 77 CO 0.10 0.91 -0.19 -0.92 -1.16 0.00 0.00 179.01 177.76 1cyi h TYR 78 N 0.81 -0.50 -0.45 4.33 3.20 -1.28 0.84 116.97 123.92 1cyi h TYR 78 Ca 0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1cyi h TYR 78 Cb 0.55 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1cyi h TYR 78 CO 0.03 -0.24 0.24 0.28 -1.64 0.00 0.00 178.16 176.83 1cyi h VAL 79 N -0.68 0.99 -0.67 1.81 2.07 -1.22 -0.67 116.25 117.88 1cyi h VAL 79 Ca -0.06 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1cyi h VAL 79 Cb 0.49 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1cyi h VAL 79 CO 0.09 0.09 0.38 0.15 0.02 0.00 0.00 177.57 178.30 1cyi h PHE 80 N 0.48 0.70 -0.37 1.57 3.04 -0.78 -1.97 116.94 119.61 1cyi h PHE 80 Ca 0.19 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 1cyi h PHE 80 Cb 0.07 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 1cyi h PHE 80 CO -0.09 0.35 -0.05 -0.22 -2.02 0.00 0.00 178.31 176.28 1cyi h LYS 81 N 0.71 0.68 -0.78 1.11 1.63 -0.27 -1.23 116.57 118.41 1cyi h LYS 81 Ca 0.30 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1cyi h LYS 81 Cb 0.16 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 1cyi h LYS 81 CO -0.17 0.81 0.42 1.96 -3.45 0.00 0.00 179.45 179.02 1cyi h GLN 82 N 0.48 1.10 -0.20 1.90 1.08 -1.05 0.42 115.11 118.84 1cyi h GLN 82 Ca 0.10 -0.13 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 1cyi h GLN 82 Cb 0.54 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1cyi h GLN 82 CO 0.03 0.82 -0.51 0.00 -0.95 0.00 0.00 178.83 178.22 1cyi h ALA 83 N 1.22 0.33 -0.16 3.87 0.00 -1.22 0.36 119.26 123.65 1cyi h ALA 83 Ca 0.27 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1cyi h ALA 83 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1cyi h ALA 83 CO -0.04 0.51 0.04 1.15 0.00 0.00 0.00 179.25 180.90 1cyi h THR 84 N 0.39 1.21 0.00 0.00 2.02 -1.17 -2.66 112.91 112.70 1cyi h THR 84 Ca -0.01 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1cyi h THR 84 Cb 1.12 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1cyi h THR 84 CO 0.11 0.20 0.00 0.47 0.37 0.00 0.00 175.52 176.67 1cyi n ASP 85 N -4.80 0.03 -3.64 4.18 9.92 0.13 -4.92 116.55 117.45 1cyi n ASP 85 Ca -0.05 0.50 -0.23 0.00 -0.53 0.00 0.00 54.79 54.48 1cyi n ASP 85 Cb 0.17 -0.51 0.06 0.00 -0.64 0.00 0.00 41.12 40.20 1cyi n ASP 85 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cyi n ALA 86 N -1.51 -1.60 0.35 2.24 0.00 0.92 -4.89 120.51 116.03 1cyi n ALA 86 Ca 0.07 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.71 1cyi n ALA 86 Cb 0.33 -3.95 0.19 0.00 0.00 0.00 0.00 19.45 16.03 1cyi n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyi n ALA 87 N -4.60 2.86 -1.77 0.00 0.00 0.71 -4.94 120.51 112.76 1cyi n ALA 87 Ca -0.11 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 1cyi n ALA 87 Cb 0.60 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1cyi n ALA 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1cyi s TRP 88 N -1.72 2.08 0.00 0.00 0.23 -1.26 -5.05 118.94 113.23 1cyi s TRP 88 Ca 0.28 0.00 0.00 0.00 -2.03 0.00 0.00 56.10 54.35 1cyi s TRP 88 Cb 0.18 -4.13 0.00 0.00 0.03 0.00 0.00 33.47 29.55 1cyi s TRP 88 CO 0.13 -4.70 0.00 1.63 0.96 0.00 0.00 176.95 174.97