#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yo3 n SER 0 N 0.00 -4.65 -4.02 1.61 7.64 -1.26 -4.91 113.62 108.02 1yo3 n SER 0 Ca 0.00 -0.99 -0.22 0.00 1.01 0.00 0.00 58.87 58.67 1yo3 n SER 0 Cb 0.00 -3.46 -0.16 0.00 -1.01 0.00 0.00 64.21 59.58 1yo3 n SER 0 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1yo3 s VAL 1 N -3.52 0.94 -0.14 0.44 1.01 -1.26 -4.23 120.40 113.63 1yo3 s VAL 1 Ca 0.40 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1yo3 s VAL 1 Cb -0.14 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1yo3 s VAL 1 CO 0.86 0.29 -0.11 -0.69 0.00 0.00 0.00 175.10 175.44 1yo3 s VAL 2 N 0.24 3.18 0.07 2.92 1.01 -0.41 -4.99 120.40 122.42 1yo3 s VAL 2 Ca -0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1yo3 s VAL 2 Cb -0.10 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1yo3 s VAL 2 CO 0.01 0.51 0.19 -1.59 0.00 0.00 0.00 175.10 174.22 1yo3 s LYS 3 N 0.45 0.78 0.63 2.72 -2.85 -1.26 -0.33 119.74 119.88 1yo3 s LYS 3 Ca -0.08 -0.82 -0.14 0.00 -1.00 0.00 0.00 55.97 53.92 1yo3 s LYS 3 Cb -0.15 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 35.92 1yo3 s LYS 3 CO 0.04 -0.24 1.07 1.21 0.10 0.00 0.00 175.35 177.53 1yo3 s ASN 4 N -2.53 5.54 0.55 0.03 3.84 -0.62 -4.95 114.94 116.80 1yo3 s ASN 4 Ca 0.01 1.81 0.27 0.00 0.21 0.00 0.00 52.86 55.16 1yo3 s ASN 4 Cb 0.02 -2.53 1.45 0.00 -0.55 0.00 0.00 41.25 39.65 1yo3 s ASN 4 CO -0.08 -1.34 1.98 -0.37 -2.79 0.00 0.00 177.10 174.51 1yo3 h VAL 5 N 0.10 0.62 -0.00 -5.21 -1.51 -1.95 -1.26 116.25 107.04 1yo3 h VAL 5 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1yo3 h VAL 5 Cb 1.22 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1yo3 h VAL 5 CO 0.56 0.00 -0.02 0.47 -1.23 0.00 0.00 177.57 177.35 1yo3 n ASP 6 N -4.18 0.03 -4.43 4.19 8.00 -1.26 -4.30 116.55 114.61 1yo3 n ASP 6 Ca 0.09 0.28 -0.43 0.00 0.71 0.00 0.00 54.79 55.44 1yo3 n ASP 6 Cb 0.61 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1yo3 n ASP 6 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1yo3 n MET 7 N -1.43 3.27 -0.67 -1.24 1.56 -0.48 -4.98 117.12 113.16 1yo3 n MET 7 Ca 0.09 -3.49 -0.29 0.00 -0.27 0.00 0.00 57.70 53.74 1yo3 n MET 7 Cb 0.31 -3.26 0.21 0.00 2.15 0.00 0.00 33.22 32.64 1yo3 n MET 7 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1yo3 s THR 8 N 2.80 2.11 0.21 1.12 -1.32 -1.26 -4.62 115.64 114.68 1yo3 s THR 8 Ca 0.48 0.03 -0.10 0.00 -1.21 0.00 0.00 61.69 60.89 1yo3 s THR 8 Cb 0.02 -2.13 0.16 0.00 -1.51 0.00 0.00 72.50 69.05 1yo3 s THR 8 CO 0.03 -0.05 1.70 -0.08 -2.21 0.00 0.00 174.62 174.02 1yo3 h GLU 9 N -2.26 0.23 -0.82 7.08 4.57 -1.95 0.12 114.58 121.56 1yo3 h GLU 9 Ca -0.54 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.58 1yo3 h GLU 9 Cb 1.31 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.81 1yo3 h GLU 9 CO 0.48 0.16 0.35 0.93 -1.18 0.00 0.00 179.01 179.74 1yo3 h GLU 10 N 0.24 1.21 -0.42 1.92 3.07 -1.99 0.01 114.58 118.62 1yo3 h GLU 10 Ca 0.31 -0.21 -0.15 0.00 -0.50 0.00 0.00 59.36 58.82 1yo3 h GLU 10 Cb 0.47 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1yo3 h GLU 10 CO -0.41 0.96 -0.33 1.98 -1.40 0.00 0.00 179.01 179.81 1yo3 h MET 11 N 1.18 0.96 -0.25 2.33 4.05 -1.68 -0.64 114.93 120.87 1yo3 h MET 11 Ca 0.27 -0.47 -0.01 0.00 -0.28 0.00 0.00 59.70 59.21 1yo3 h MET 11 Cb 0.19 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1yo3 h MET 11 CO -0.03 1.14 0.11 0.37 0.23 0.00 0.00 176.91 178.73 1yo3 h GLN 12 N 0.80 0.36 -0.58 0.39 4.15 -0.51 0.14 115.11 119.86 1yo3 h GLN 12 Ca 0.08 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.50 1yo3 h GLN 12 Cb 0.92 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 1yo3 h GLN 12 CO 0.09 0.38 0.28 0.82 -1.93 0.00 0.00 178.83 178.47 1yo3 h ILE 13 N 0.26 0.90 -0.83 2.39 2.04 -0.89 -0.38 117.51 121.00 1yo3 h ILE 13 Ca 0.08 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1yo3 h ILE 13 Cb 0.15 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1yo3 h ILE 13 CO -0.01 0.09 0.42 0.44 0.00 0.00 0.00 178.15 179.10 1yo3 h ASP 14 N 0.52 1.07 -0.41 1.72 3.32 -0.67 0.14 116.42 122.10 1yo3 h ASP 14 Ca 0.27 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1yo3 h ASP 14 Cb 0.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1yo3 h ASP 14 CO -0.21 0.88 0.16 0.00 -1.72 0.00 0.00 179.24 178.35 1yo3 h ALA 15 N 1.28 0.53 -0.16 3.45 0.00 0.05 0.89 119.26 125.31 1yo3 h ALA 15 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1yo3 h ALA 15 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1yo3 h ALA 15 CO -0.04 0.14 0.04 0.82 0.00 0.00 0.00 179.25 180.21 1yo3 h ILE 16 N 0.52 1.20 -0.42 0.00 2.04 -0.84 -0.37 117.51 119.64 1yo3 h ILE 16 Ca 0.14 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1yo3 h ILE 16 Cb 0.19 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1yo3 h ILE 16 CO -0.01 0.19 0.22 0.44 0.00 0.00 0.00 178.15 178.99 1yo3 h ASP 17 N 0.05 0.32 -0.79 1.72 3.32 -0.85 0.67 116.42 120.86 1yo3 h ASP 17 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1yo3 h ASP 17 Cb 0.27 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1yo3 h ASP 17 CO 0.00 0.23 0.51 0.00 -1.72 0.00 0.00 179.24 178.26 1yo3 h ALA 19 N 1.28 0.40 -0.78 0.00 0.00 -0.70 -0.10 119.26 119.35 1yo3 h ALA 19 Ca 0.29 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yo3 h ALA 19 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1yo3 h ALA 19 CO -0.06 0.04 0.51 -0.91 0.00 0.00 0.00 179.25 178.83 1yo3 h ASN 20 N 0.33 0.87 -0.47 0.00 2.35 -0.48 0.11 115.58 118.28 1yo3 h ASN 20 Ca 0.10 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1yo3 h ASN 20 Cb 0.27 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1yo3 h ASN 20 CO -0.00 0.62 -0.07 -0.61 -1.65 0.00 0.00 177.43 175.72 1yo3 h GLN 21 N 1.02 0.88 -0.30 0.81 4.15 -0.55 -0.63 115.11 120.49 1yo3 h GLN 21 Ca 0.29 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1yo3 h GLN 21 Cb -0.08 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1yo3 h GLN 21 CO -0.08 0.95 0.08 0.00 -1.93 0.00 0.00 178.83 177.85 1yo3 h ALA 22 N 0.89 0.39 0.00 3.38 0.00 -0.75 -2.05 119.26 121.12 1yo3 h ALA 22 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1yo3 h ALA 22 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1yo3 h ALA 22 CO 0.04 0.04 -0.22 -0.07 0.00 0.00 0.00 179.25 179.04 1yo3 h LEU 23 N 0.32 0.00 -0.75 0.00 3.38 -0.85 -0.81 115.31 116.60 1yo3 h LEU 23 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1yo3 h LEU 23 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1yo3 h LEU 23 CO -0.00 0.22 -0.39 -0.61 0.09 0.00 0.00 178.44 177.76 1yo3 h GLN 24 N 0.00 0.50 0.04 1.13 4.15 -0.77 -3.35 115.11 116.80 1yo3 h GLN 24 Ca -0.00 -0.24 -0.35 0.00 0.77 0.00 0.00 58.65 58.83 1yo3 h GLN 24 Cb 0.41 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 1yo3 h GLN 24 CO 0.03 0.81 -2.09 1.63 -1.93 0.00 0.00 178.83 177.28 1yo3 n LYS 25 N -4.04 0.68 -4.73 1.69 5.02 -0.80 -5.00 118.16 110.99 1yo3 n LYS 25 Ca -0.01 0.19 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 1yo3 n LYS 25 Cb 0.50 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 1yo3 n LYS 25 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1yo3 s TYR 26 N -2.55 2.21 -0.12 2.13 2.02 -0.34 -5.05 117.35 115.66 1yo3 s TYR 26 Ca -0.17 -0.40 0.10 0.00 -0.37 0.00 0.00 57.07 56.23 1yo3 s TYR 26 Cb 0.07 -1.29 -0.24 0.00 -0.40 0.00 0.00 41.96 40.11 1yo3 s TYR 26 CO 0.77 0.17 0.38 0.09 -1.57 0.00 0.00 175.55 175.39 1yo3 n ASN 27 N 1.58 0.98 -4.69 2.29 3.02 -1.26 -4.64 115.26 112.53 1yo3 n ASN 27 Ca -0.17 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 1yo3 n ASN 27 Cb 0.52 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 1yo3 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yo3 s VAL 28 N -2.56 5.16 0.31 2.41 1.01 -1.26 -4.97 120.40 120.49 1yo3 s VAL 28 Ca -0.12 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 1yo3 s VAL 28 Cb 0.07 -3.82 0.27 0.00 0.00 0.00 0.00 36.38 32.90 1yo3 s VAL 28 CO 0.80 0.26 1.95 -0.33 0.00 0.00 0.00 175.10 177.77 1yo3 h GLU 29 N 7.07 1.02 -0.99 2.72 5.08 -1.92 -0.60 114.58 126.96 1yo3 h GLU 29 Ca -0.38 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1yo3 h GLU 29 Cb 1.17 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 1yo3 h GLU 29 CO 0.75 0.67 0.65 -0.22 -1.00 0.00 0.00 179.01 179.86 1yo3 h LYS 30 N 1.05 1.24 -0.18 2.33 3.64 -1.92 -0.89 116.57 121.83 1yo3 h LYS 30 Ca 0.33 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.46 1yo3 h LYS 30 Cb 0.02 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1yo3 h LYS 30 CO -0.10 0.82 -0.61 -0.44 -2.27 0.00 0.00 179.45 176.85 1yo3 h ASP 31 N 1.27 0.72 0.13 4.20 3.32 -1.59 -1.59 116.42 122.88 1yo3 h ASP 31 Ca 0.39 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1yo3 h ASP 31 Cb -0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1yo3 h ASP 31 CO -0.11 1.16 -0.11 0.40 -1.72 0.00 0.00 179.24 178.86 1yo3 h ILE 32 N 0.47 0.75 -0.62 0.35 2.04 -0.75 -1.41 117.51 118.34 1yo3 h ILE 32 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1yo3 h ILE 32 Cb 1.19 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1yo3 h ILE 32 CO 0.12 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.59 1yo3 h ALA 33 N 0.60 0.83 -0.74 1.87 0.00 -1.14 -2.33 119.26 118.35 1yo3 h ALA 33 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yo3 h ALA 33 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1yo3 h ALA 33 CO -0.02 -0.03 0.37 0.00 0.00 0.00 0.00 179.25 179.58 1yo3 h ALA 34 N 1.35 1.27 -0.48 0.00 0.00 -1.01 -0.99 119.26 119.41 1yo3 h ALA 34 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1yo3 h ALA 34 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1yo3 h ALA 34 CO -0.20 0.57 0.17 1.25 0.00 0.00 0.00 179.25 181.04 1yo3 h HIS 35 N 1.04 0.75 -0.17 0.00 6.17 -0.74 -0.70 115.15 121.50 1yo3 h HIS 35 Ca 0.26 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.26 1yo3 h HIS 35 Cb 0.07 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 29.77 1yo3 h HIS 35 CO 0.01 0.65 0.06 0.82 0.71 0.00 0.00 177.93 180.18 1yo3 h ILE 36 N 0.63 1.18 -0.30 6.26 2.04 -1.03 -1.49 117.51 124.80 1yo3 h ILE 36 Ca 0.16 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.49 1yo3 h ILE 36 Cb 0.24 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1yo3 h ILE 36 CO -0.01 0.18 0.06 0.50 0.00 0.00 0.00 178.15 178.87 1yo3 h LYS 37 N 0.11 0.16 -0.42 2.37 3.64 -1.07 -1.26 116.57 120.10 1yo3 h LYS 37 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1yo3 h LYS 37 Cb 0.22 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1yo3 h LYS 37 CO -0.00 0.10 0.25 -0.22 -2.27 0.00 0.00 179.45 177.32 1yo3 h LYS 38 N 0.16 0.57 -0.79 1.90 3.64 -0.98 -0.09 116.57 121.00 1yo3 h LYS 38 Ca 0.14 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1yo3 h LYS 38 Cb 0.16 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1yo3 h LYS 38 CO -0.19 0.43 0.31 0.93 -2.27 0.00 0.00 179.45 178.66 1yo3 h GLU 39 N 0.55 1.18 -0.40 1.90 4.39 -1.03 -1.12 114.58 120.05 1yo3 h GLU 39 Ca 0.15 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 1yo3 h GLU 39 Cb 0.00 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1yo3 h GLU 39 CO -0.03 0.95 -0.26 0.74 -1.16 0.00 0.00 179.01 179.25 1yo3 h PHE 40 N 1.14 0.97 -0.58 4.33 -1.00 -0.94 0.24 116.94 121.11 1yo3 h PHE 40 Ca 0.26 -0.24 0.04 0.00 2.81 0.00 0.00 57.97 60.84 1yo3 h PHE 40 Cb 0.22 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.51 1yo3 h PHE 40 CO 0.02 1.01 0.33 -0.44 -1.61 0.00 0.00 178.31 177.62 1yo3 h ASP 41 N 0.72 0.52 -0.29 2.17 3.32 -0.76 0.18 116.42 122.28 1yo3 h ASP 41 Ca 0.09 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1yo3 h ASP 41 Cb 0.80 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1yo3 h ASP 41 CO 0.07 0.35 -0.05 -0.09 -1.72 0.00 0.00 179.24 177.81 1yo3 h ARG 42 N 0.64 0.54 0.14 3.56 2.43 -0.93 -2.10 114.38 118.66 1yo3 h ARG 42 Ca 0.25 -0.19 -0.33 0.00 -0.81 0.00 0.00 59.98 58.89 1yo3 h ARG 42 Cb 0.09 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1yo3 h ARG 42 CO -0.13 0.72 -1.70 -0.22 -1.51 0.00 0.00 179.97 177.13 1yo3 h LYS 43 N 0.30 0.30 0.00 0.20 3.64 -0.88 -3.40 116.57 116.74 1yo3 h LYS 43 Ca 0.08 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1yo3 h LYS 43 Cb 0.51 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1yo3 h LYS 43 CO 0.02 1.18 -0.00 0.66 -2.27 0.00 0.00 179.45 179.04 1yo3 n TYR 44 N -3.49 0.00 -0.53 1.91 4.01 0.62 -5.08 117.16 114.60 1yo3 n TYR 44 Ca -0.22 -0.54 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 1yo3 n TYR 44 Cb 1.06 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1yo3 n TYR 44 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1yo3 n ASP 45 N -0.59 -3.29 -4.72 7.72 8.00 -0.79 -4.94 116.55 117.93 1yo3 n ASP 45 Ca 0.02 0.49 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 1yo3 n ASP 45 Cb 0.31 -0.98 0.13 0.00 -0.02 0.00 0.00 41.12 40.55 1yo3 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1yo3 s PRO 46 N -4.95 1.53 -0.20 -0.24 0.04 -1.23 -4.60 135.00 125.35 1yo3 s PRO 46 Ca 0.00 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1yo3 s PRO 46 Cb 0.00 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1yo3 s PRO 46 CO 0.00 -2.10 -0.12 0.99 0.04 0.00 0.00 177.00 175.80 1yo3 s THR 47 N -2.88 2.65 0.35 1.26 2.01 -1.26 -5.02 115.64 112.75 1yo3 s THR 47 Ca 0.63 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1yo3 s THR 47 Cb -0.18 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1yo3 s THR 47 CO 0.57 0.45 0.53 0.26 -0.69 0.00 0.00 174.62 175.74 1yo3 s TRP 48 N 1.36 3.34 0.02 4.92 0.52 -1.26 -1.99 118.94 125.85 1yo3 s TRP 48 Ca 0.05 0.14 -0.05 0.00 0.02 0.00 0.00 56.10 56.25 1yo3 s TRP 48 Cb -0.14 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.21 1yo3 s TRP 48 CO -0.08 0.03 0.09 -1.01 0.02 0.00 0.00 176.95 175.99 1yo3 s HIS 49 N -2.29 0.14 -0.14 -1.98 3.76 0.55 -4.95 115.29 110.37 1yo3 s HIS 49 Ca 0.42 -0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 54.88 1yo3 s HIS 49 Cb -0.10 -0.11 0.04 0.00 1.11 0.00 0.00 32.58 33.52 1yo3 s HIS 49 CO 0.34 -0.29 0.38 0.00 -0.85 0.00 0.00 174.74 174.32 1yo3 s VAL 51 N 0.29 1.11 -0.04 0.00 -7.23 -0.42 -4.75 120.40 109.36 1yo3 s VAL 51 Ca -0.01 -0.64 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 1yo3 s VAL 51 Cb -0.03 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1yo3 s VAL 51 CO -0.00 0.28 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.15 1yo3 s VAL 52 N -0.38 1.81 0.00 1.32 1.01 -1.26 -1.29 120.40 121.61 1yo3 s VAL 52 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1yo3 s VAL 52 Cb -0.06 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1yo3 s VAL 52 CO -0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1yo3 n GLY 53 N 2.79 -0.21 0.15 4.51 0.00 0.12 -4.48 105.19 108.07 1yo3 n GLY 53 Ca -0.17 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 44.87 1yo3 n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yo3 n ARG 54 N 0.00 1.16 -2.77 1.61 1.85 -1.26 -4.73 116.66 112.52 1yo3 n ARG 54 Ca 0.00 -1.62 -0.19 0.00 -1.00 0.00 0.00 57.85 55.03 1yo3 n ARG 54 Cb 0.00 -0.98 -0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1yo3 n ARG 54 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1yo3 n ASN 55 N -0.65 2.81 -4.70 2.89 5.15 -1.26 -5.08 115.26 114.42 1yo3 n ASN 55 Ca 0.06 -3.24 -0.23 0.00 -0.60 0.00 0.00 54.58 50.57 1yo3 n ASN 55 Cb 0.54 -0.53 -0.07 0.00 -0.53 0.00 0.00 39.78 39.19 1yo3 n ASN 55 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1yo3 s PHE 56 N -3.16 2.71 0.23 1.20 -0.12 -1.26 -4.95 117.98 112.62 1yo3 s PHE 56 Ca 0.40 -0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.65 1yo3 s PHE 56 Cb 0.39 -1.50 -0.09 0.00 -0.63 0.00 0.00 43.02 41.19 1yo3 s PHE 56 CO -0.08 0.43 1.15 0.20 -0.05 0.00 0.00 175.22 176.87 1yo3 s GLY 57 N -3.79 2.88 0.65 1.99 0.00 -1.26 -5.00 107.32 102.80 1yo3 s GLY 57 Ca 0.36 0.92 -0.17 0.00 0.00 0.00 0.00 44.72 45.83 1yo3 s GLY 57 CO 0.22 1.68 1.20 -0.56 0.00 0.00 0.00 173.10 175.63 1yo3 s SER 58 N -0.36 4.79 -0.07 1.64 0.01 -1.26 -5.04 113.70 113.41 1yo3 s SER 58 Ca 0.49 2.33 -0.05 0.00 1.31 0.00 0.00 55.95 60.02 1yo3 s SER 58 Cb -0.32 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.34 1yo3 s SER 58 CO 0.39 -1.86 0.17 -0.47 0.41 0.00 0.00 173.24 171.89 1yo3 s TYR 59 N -1.84 -0.20 -0.23 2.43 5.04 -1.26 -5.13 117.35 116.16 1yo3 s TYR 59 Ca 0.75 0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 55.82 1yo3 s TYR 59 Cb -0.29 0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.03 1yo3 s TYR 59 CO 0.39 -0.12 0.05 0.08 -1.34 0.00 0.00 175.55 174.60 1yo3 s VAL 60 N 0.47 4.17 0.04 3.14 1.01 -1.26 -5.10 120.40 122.87 1yo3 s VAL 60 Ca -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1yo3 s VAL 60 Cb -0.05 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1yo3 s VAL 60 CO -0.02 0.37 0.25 0.42 0.00 0.00 0.00 175.10 176.12 1yo3 s THR 61 N 1.44 5.33 0.62 3.92 -4.23 -1.26 -5.07 115.64 116.39 1yo3 s THR 61 Ca 0.05 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 1yo3 s THR 61 Cb -0.15 -3.58 0.14 0.00 1.34 0.00 0.00 72.50 70.25 1yo3 s THR 61 CO 0.02 0.25 0.85 1.41 -0.54 0.00 0.00 174.62 176.61 1yo3 n HIS 62 N 0.72 -3.85 -1.69 3.99 8.25 -0.64 -4.90 115.22 117.10 1yo3 n HIS 62 Ca -0.08 -0.84 -0.51 0.00 -0.26 0.00 0.00 57.72 56.03 1yo3 n HIS 62 Cb 0.52 -0.65 -0.05 0.00 1.12 0.00 0.00 29.99 30.93 1yo3 n HIS 62 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1yo3 n GLU 63 N -2.76 1.87 -2.37 -0.41 2.13 -1.26 -4.43 120.64 113.41 1yo3 n GLU 63 Ca 0.11 0.69 -0.40 0.00 0.66 0.00 0.00 57.16 58.21 1yo3 n GLU 63 Cb 0.38 -2.48 -0.04 0.00 0.27 0.00 0.00 31.44 29.58 1yo3 n GLU 63 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1yo3 s THR 64 N 3.75 3.28 0.00 6.31 2.01 -1.26 -4.30 115.64 125.42 1yo3 s THR 64 Ca 0.94 1.27 0.00 0.00 0.31 0.00 0.00 61.69 64.21 1yo3 s THR 64 Cb -0.80 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 67.90 1yo3 s THR 64 CO 0.55 0.30 0.00 0.29 -0.69 0.00 0.00 174.62 175.07 1yo3 n LYS 65 N 1.18 2.13 -4.18 4.92 4.76 -0.10 -5.00 118.16 121.86 1yo3 n LYS 65 Ca -0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1yo3 n LYS 65 Cb 0.44 -1.00 -0.10 0.00 -1.84 0.00 0.00 35.03 32.53 1yo3 n LYS 65 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1yo3 s ASN 66 N -3.45 1.25 -0.28 4.39 3.84 -1.24 -4.90 114.94 114.55 1yo3 s ASN 66 Ca 0.00 -1.01 -0.21 0.00 0.21 0.00 0.00 52.86 51.84 1yo3 s ASN 66 Cb 0.00 0.08 0.13 0.00 -0.55 0.00 0.00 41.25 40.91 1yo3 s ASN 66 CO 0.00 -0.45 0.99 0.12 -2.79 0.00 0.00 177.10 174.97 1yo3 s PHE 67 N -3.58 -0.55 -0.14 0.43 2.19 -1.26 -1.75 117.98 113.32 1yo3 s PHE 67 Ca 0.13 1.23 -0.13 0.00 0.33 0.00 0.00 56.93 58.49 1yo3 s PHE 67 Cb 0.05 0.37 0.04 0.00 -1.31 0.00 0.00 43.02 42.17 1yo3 s PHE 67 CO -0.04 -0.27 0.37 -1.50 1.83 0.00 0.00 175.22 175.62 1yo3 s ILE 68 N 0.71 0.00 -0.10 3.12 2.07 -0.04 -1.59 121.20 125.37 1yo3 s ILE 68 Ca -0.02 -0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.20 1yo3 s ILE 68 Cb -0.05 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 42.04 1yo3 s ILE 68 CO -0.10 -0.01 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.40 1yo3 s TYR 69 N 0.14 1.24 0.33 3.50 5.04 0.55 -1.16 117.35 126.99 1yo3 s TYR 69 Ca -0.01 -0.57 -0.12 0.00 -2.44 0.00 0.00 57.07 53.94 1yo3 s TYR 69 Cb -0.03 -1.10 0.02 0.00 0.35 0.00 0.00 41.96 41.21 1yo3 s TYR 69 CO 0.01 -0.45 0.61 -0.59 -1.34 0.00 0.00 175.55 173.79 1yo3 s PHE 70 N 1.73 0.42 0.03 4.97 -0.71 -0.44 -1.28 117.98 122.69 1yo3 s PHE 70 Ca 0.04 -0.86 0.07 0.00 -1.04 0.00 0.00 56.93 55.15 1yo3 s PHE 70 Cb -0.13 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 1yo3 s PHE 70 CO -0.07 -1.26 -0.21 0.71 -1.34 0.00 0.00 175.22 173.05 1yo3 s TYR 71 N -3.16 1.88 -0.35 3.49 1.51 -1.26 0.00 117.35 119.47 1yo3 s TYR 71 Ca 0.21 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1yo3 s TYR 71 Cb -0.03 -1.15 0.08 0.00 -0.11 0.00 0.00 41.96 40.75 1yo3 s TYR 71 CO 0.13 0.06 0.09 0.42 -1.11 0.00 0.00 175.55 175.14 1yo3 s ILE 72 N -0.72 3.09 0.00 2.71 -1.09 -0.30 -4.97 121.20 119.92 1yo3 s ILE 72 Ca 0.08 -1.71 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 1yo3 s ILE 72 Cb -0.09 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1yo3 s ILE 72 CO 0.01 -0.38 0.00 0.61 -1.23 0.00 0.00 174.94 173.95 1yo3 n GLY 73 N 4.59 3.47 0.08 6.18 0.00 -1.26 -1.68 105.19 116.58 1yo3 n GLY 73 Ca -0.08 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.02 1yo3 n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yo3 n GLN 74 N 14.00 0.82 -3.42 1.61 6.02 -1.26 -4.82 117.38 130.33 1yo3 n GLN 74 Ca 0.00 -0.16 -0.40 0.00 -0.01 0.00 0.00 57.00 56.43 1yo3 n GLN 74 Cb 0.00 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.67 1yo3 n GLN 74 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1yo3 s VAL 75 N -2.29 5.18 0.30 5.09 1.01 -0.67 -5.03 120.40 123.99 1yo3 s VAL 75 Ca 0.36 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 1yo3 s VAL 75 Cb 0.21 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1yo3 s VAL 75 CO 0.42 0.04 1.04 0.00 0.00 0.00 0.00 175.10 176.60 1yo3 s ALA 76 N 2.01 3.31 -0.10 5.51 0.00 -1.26 -1.15 121.76 130.08 1yo3 s ALA 76 Ca 0.12 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1yo3 s ALA 76 Cb -0.16 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1yo3 s ALA 76 CO 0.11 -0.06 -0.12 0.42 0.00 0.00 0.00 175.76 176.11 1yo3 s ILE 77 N -1.31 1.25 -0.16 0.00 1.01 0.10 -0.70 121.20 121.39 1yo3 s ILE 77 Ca 0.47 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1yo3 s ILE 77 Cb -0.27 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1yo3 s ILE 77 CO 0.35 0.39 -0.17 -0.22 0.00 0.00 0.00 174.94 175.29 1yo3 s LEU 78 N 1.10 2.32 -0.08 2.97 2.96 -0.41 -1.33 118.68 126.22 1yo3 s LEU 78 Ca -0.05 -0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1yo3 s LEU 78 Cb -0.14 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.05 1yo3 s LEU 78 CO -0.02 0.05 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.80 1yo3 s LEU 79 N 1.01 0.95 0.03 -0.68 2.96 -0.31 -1.30 118.68 121.34 1yo3 s LEU 79 Ca -0.02 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.58 1yo3 s LEU 79 Cb -0.15 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.00 1yo3 s LEU 79 CO -0.05 -0.13 0.33 0.72 -1.32 0.00 0.00 176.35 175.90 1yo3 s PHE 80 N 1.62 -0.16 -0.14 5.38 -0.12 -0.50 -0.86 117.98 123.20 1yo3 s PHE 80 Ca 0.01 0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1yo3 s PHE 80 Cb -0.13 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 1yo3 s PHE 80 CO -0.05 -0.48 -0.09 0.21 -0.05 0.00 0.00 175.22 174.77 1yo3 s LYS 81 N -2.18 3.48 0.04 1.99 2.20 -0.72 -0.33 119.74 124.22 1yo3 s LYS 81 Ca -0.08 -0.61 -0.27 0.00 -0.36 0.00 0.00 55.97 54.66 1yo3 s LYS 81 Cb -0.02 -2.75 0.10 0.00 -1.51 0.00 0.00 37.83 33.64 1yo3 s LYS 81 CO -0.01 0.25 1.21 -1.54 -0.36 0.00 0.00 175.35 174.90 1yo3 s SER 82 N 0.29 -0.03 0.00 1.43 1.04 -0.84 -0.93 113.70 114.66 1yo3 s SER 82 Ca -0.07 -0.31 0.25 0.00 0.48 0.00 0.00 55.95 56.31 1yo3 s SER 82 Cb -0.15 0.26 0.50 0.00 0.10 0.00 0.00 66.02 66.72 1yo3 s SER 82 CO 0.04 -0.50 1.43 0.61 0.98 0.00 0.00 173.24 175.81