#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dt7 n SER 1 N 0.00 -5.86 0.00 7.83 7.64 -1.26 -4.82 113.62 117.15 1dt7 n SER 1 Ca 0.00 0.09 0.11 0.00 1.01 0.00 0.00 58.87 60.08 1dt7 n SER 1 Cb 0.00 -4.94 0.49 0.00 -1.01 0.00 0.00 64.21 58.75 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1dt7 n GLU 2 N -2.89 0.01 0.32 1.43 1.02 -1.26 -3.68 120.64 115.59 1dt7 n GLU 2 Ca -0.24 0.11 0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1dt7 n GLU 2 Cb 0.69 -1.50 0.37 0.00 -0.02 0.00 0.00 31.44 30.98 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dt7 h LEU 3 N 0.00 0.00 -0.38 -4.62 5.85 -1.99 0.32 115.31 114.49 1dt7 h LEU 3 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1dt7 h LEU 3 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1dt7 h LEU 3 CO 0.00 0.00 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.36 1dt7 h GLU 4 N 0.00 0.94 0.07 1.25 5.08 -1.98 -2.27 114.58 117.67 1dt7 h GLU 4 Ca 0.00 -0.51 -0.25 0.00 -1.00 0.00 0.00 59.36 57.60 1dt7 h GLU 4 Cb 1.36 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1dt7 h GLU 4 CO 0.00 1.16 -1.16 1.57 -1.00 0.00 0.00 179.01 179.58 1dt7 h LYS 5 N 0.76 0.14 -0.39 2.33 2.10 -0.68 -3.15 116.57 117.69 1dt7 h LYS 5 Ca 0.06 -0.25 -0.16 0.00 -2.00 0.00 0.00 60.65 58.30 1dt7 h LYS 5 Cb 1.01 0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1dt7 h LYS 5 CO 0.10 1.10 -0.38 0.00 -2.00 0.00 0.00 179.45 178.27 1dt7 h ALA 6 N 0.77 0.59 -0.49 0.07 0.00 -1.48 -2.22 119.26 116.50 1dt7 h ALA 6 Ca -0.09 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 1dt7 h ALA 6 Cb 1.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1dt7 h ALA 6 CO 0.17 0.68 -0.22 0.52 0.00 0.00 0.00 179.25 180.40 1dt7 h MET 7 N 0.76 1.00 -0.66 0.00 2.86 -1.51 -1.96 114.93 115.44 1dt7 h MET 7 Ca 0.06 -0.43 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 1dt7 h MET 7 Cb 0.98 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 1dt7 h MET 7 CO 0.09 1.11 0.09 0.28 1.06 0.00 0.00 176.91 179.54 1dt7 h VAL 8 N 0.87 1.26 -0.22 -2.22 2.07 -1.50 -2.96 116.25 113.54 1dt7 h VAL 8 Ca 0.11 -1.06 -0.14 0.00 0.82 0.00 0.00 66.70 66.43 1dt7 h VAL 8 Cb 0.80 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1dt7 h VAL 8 CO 0.07 0.40 -0.45 0.00 0.02 0.00 0.00 177.57 177.61 1dt7 h ALA 9 N 1.06 0.81 -1.01 1.67 0.00 -1.27 -2.34 119.26 118.18 1dt7 h ALA 9 Ca 0.20 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1dt7 h ALA 9 Cb 0.46 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1dt7 h ALA 9 CO 0.02 0.66 0.67 1.25 0.00 0.00 0.00 179.25 181.84 1dt7 h LEU 10 N 0.45 1.15 -0.55 0.00 5.85 -1.20 -1.75 115.31 119.26 1dt7 h LEU 10 Ca 0.03 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1dt7 h LEU 10 Cb 0.96 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1dt7 h LEU 10 CO 0.09 0.83 -0.42 0.40 -0.34 0.00 0.00 178.44 178.99 1dt7 h ILE 11 N 1.36 1.29 -0.40 4.05 2.04 -1.38 -3.11 117.51 121.36 1dt7 h ILE 11 Ca 0.37 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1dt7 h ILE 11 Cb -0.15 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1dt7 h ILE 11 CO -0.08 0.52 0.26 -0.78 0.00 0.00 0.00 178.15 178.06 1dt7 h ASP 12 N 0.56 0.46 -0.93 1.72 1.82 -0.78 -2.34 116.42 116.94 1dt7 h ASP 12 Ca 0.04 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1dt7 h ASP 12 Cb 0.96 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.81 1dt7 h ASP 12 CO 0.09 0.34 0.54 1.62 -1.61 0.00 0.00 179.24 180.22 1dt7 h VAL 13 N 0.54 1.26 -1.01 2.25 3.04 -1.49 -1.49 116.25 119.36 1dt7 h VAL 13 Ca 0.15 -0.60 0.07 0.00 -1.01 0.00 0.00 66.70 65.30 1dt7 h VAL 13 Cb -0.06 -0.03 -0.07 0.00 -2.01 0.00 0.00 31.29 29.12 1dt7 h VAL 13 CO -0.03 0.28 0.65 0.15 -1.01 0.00 0.00 177.57 177.61 1dt7 h PHE 14 N 1.30 1.20 0.00 3.17 3.04 -1.37 0.79 116.94 125.07 1dt7 h PHE 14 Ca 0.33 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.27 1dt7 h PHE 14 Cb -0.02 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 38.09 1dt7 h PHE 14 CO 0.01 0.60 -0.21 0.45 -2.02 0.00 0.00 178.31 177.14 1dt7 h HIS 15 N 1.16 0.00 -0.58 0.41 3.86 -0.79 -1.83 115.15 117.37 1dt7 h HIS 15 Ca 0.44 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.66 1dt7 h HIS 15 Cb 0.21 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 1dt7 h HIS 15 CO -0.00 0.21 0.39 0.37 0.86 0.00 0.00 177.93 179.75 1dt7 h GLN 16 N 0.00 0.77 0.05 2.45 5.75 -0.33 -2.51 115.11 121.29 1dt7 h GLN 16 Ca -0.00 -0.05 -0.33 0.00 -0.15 0.00 0.00 58.65 58.12 1dt7 h GLN 16 Cb 0.66 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1dt7 h GLN 16 CO 0.03 0.51 -1.92 0.66 -2.65 0.00 0.00 178.83 175.45 1dt7 n TYR 17 N -4.68 0.99 -0.36 3.99 4.02 -1.17 -3.92 117.16 116.03 1dt7 n TYR 17 Ca 0.04 0.28 -0.02 0.00 -0.01 0.00 0.00 57.90 58.19 1dt7 n TYR 17 Cb 0.02 -1.15 0.12 0.00 -0.02 0.00 0.00 39.34 38.31 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1dt7 h SER 18 N 0.03 1.13 0.78 7.72 4.64 -1.35 -0.55 113.55 125.95 1dt7 h SER 18 Ca -0.38 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1dt7 h SER 18 Cb 2.03 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1dt7 h SER 18 CO 0.07 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 1dt7 n GLY 19 N -1.38 -1.31 0.16 -0.77 0.00 -0.95 -3.44 105.19 97.51 1dt7 n GLY 19 Ca 0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1dt7 n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1dt7 h ARG 20 N 0.00 0.49 -5.82 1.61 2.43 -1.21 -3.44 114.38 108.43 1dt7 h ARG 20 Ca 0.00 -0.03 -0.58 0.00 -0.81 0.00 0.00 59.98 58.56 1dt7 h ARG 20 Cb 0.39 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1dt7 h ARG 20 CO 0.00 0.32 -0.50 -1.21 -1.51 0.00 0.00 179.97 177.07 1dt7 s GLU 21 N -6.16 2.18 0.54 0.20 2.02 -1.23 -5.01 118.70 111.24 1dt7 s GLU 21 Ca -0.13 -1.93 0.30 0.00 0.02 0.00 0.00 54.97 53.24 1dt7 s GLU 21 Cb 0.10 -1.91 1.47 0.00 0.10 0.00 0.00 34.13 33.89 1dt7 s GLU 21 CO 0.72 -0.14 1.91 0.78 0.02 0.00 0.00 175.26 178.54 1dt7 h GLY 22 N 1.44 0.00 -6.38 -1.39 0.00 -1.85 -3.26 103.07 91.63 1dt7 h GLY 22 Ca -0.43 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.29 1dt7 h GLY 22 CO 0.71 0.00 2.27 1.22 0.00 0.00 0.00 176.54 180.74 1dt7 n ASP 23 N -4.23 2.67 -0.29 0.19 8.00 -1.26 -4.61 116.55 117.01 1dt7 n ASP 23 Ca 0.16 -2.62 -0.06 0.00 0.71 0.00 0.00 54.79 52.99 1dt7 n ASP 23 Cb 0.88 -1.07 0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dt7 h LYS 24 N 7.83 1.20 -0.31 -1.24 1.57 -1.61 -2.82 116.57 121.18 1dt7 h LYS 24 Ca 0.42 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1dt7 h LYS 24 Cb 0.60 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1dt7 h LYS 24 CO 1.90 0.97 0.00 0.72 -0.57 0.00 0.00 179.45 182.47 1dt7 n HIS 25 N -4.27 0.40 -4.06 -1.35 8.25 -1.26 -4.56 115.22 108.37 1dt7 n HIS 25 Ca 0.07 -0.20 -0.08 0.00 -0.26 0.00 0.00 57.72 57.26 1dt7 n HIS 25 Cb 0.19 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.20 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1dt7 s LYS 26 N -1.60 0.54 -0.16 -0.41 1.02 -1.06 -3.60 119.74 114.46 1dt7 s LYS 26 Ca 0.37 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.31 1dt7 s LYS 26 Cb 0.22 0.19 0.01 0.00 -0.52 0.00 0.00 37.83 37.72 1dt7 s LYS 26 CO 0.31 -0.10 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.96 1dt7 s LEU 27 N -2.52 2.33 0.14 3.17 2.01 -0.84 -4.62 118.68 118.35 1dt7 s LEU 27 Ca 0.01 -0.54 -0.03 0.00 0.01 0.00 0.00 54.13 53.57 1dt7 s LEU 27 Cb 0.03 -1.53 -0.05 0.00 0.01 0.00 0.00 46.19 44.65 1dt7 s LEU 27 CO -0.08 0.06 0.35 -0.75 1.01 0.00 0.00 176.35 176.94 1dt7 s LYS 28 N 0.98 3.58 0.54 1.70 2.20 -1.26 -0.78 119.74 126.69 1dt7 s LYS 28 Ca -0.03 -0.18 0.34 0.00 -0.36 0.00 0.00 55.97 55.75 1dt7 s LYS 28 Cb -0.15 -2.87 1.16 0.00 -1.51 0.00 0.00 37.83 34.46 1dt7 s LYS 28 CO -0.04 0.48 1.30 1.17 -0.36 0.00 0.00 175.35 177.90 1dt7 n LYS 29 N 0.01 0.01 -0.07 4.03 4.81 -1.19 0.16 118.16 125.93 1dt7 n LYS 29 Ca -0.03 0.97 -0.14 0.00 -0.87 0.00 0.00 58.31 58.24 1dt7 n LYS 29 Cb 0.52 -2.33 -0.13 0.00 0.02 0.00 0.00 35.03 33.11 1dt7 n LYS 29 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1dt7 h SER 30 N 0.00 0.00 -0.54 3.14 0.87 -1.91 -2.70 113.55 112.41 1dt7 h SER 30 Ca 0.63 -1.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.13 1dt7 h SER 30 Cb 3.05 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 64.98 1dt7 h SER 30 CO -0.01 1.00 0.09 -0.33 -0.53 0.00 0.00 176.83 177.05 1dt7 h GLU 31 N -0.99 0.94 -0.77 2.24 5.08 0.12 -2.54 114.58 118.66 1dt7 h GLU 31 Ca -0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1dt7 h GLU 31 Cb 1.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1dt7 h GLU 31 CO 0.00 0.87 0.51 1.25 -1.00 0.00 0.00 179.01 180.64 1dt7 h LEU 32 N 0.89 0.88 -0.95 1.33 5.85 0.28 -2.19 115.31 121.40 1dt7 h LEU 32 Ca 0.18 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1dt7 h LEU 32 Cb 0.39 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1dt7 h LEU 32 CO 0.01 0.64 0.57 0.50 -0.34 0.00 0.00 178.44 179.82 1dt7 h LYS 33 N 1.04 1.29 -0.81 1.25 3.64 -1.11 -2.25 116.57 119.62 1dt7 h LYS 33 Ca 0.28 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1dt7 h LYS 33 Cb -0.12 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.39 1dt7 h LYS 33 CO -0.06 0.91 0.34 0.93 -2.27 0.00 0.00 179.45 179.29 1dt7 h GLU 34 N 1.31 1.21 -0.01 1.90 5.08 -1.18 0.86 114.58 123.75 1dt7 h GLU 34 Ca 0.34 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1dt7 h GLU 34 Cb -0.05 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 1dt7 h GLU 34 CO -0.06 0.96 0.01 1.25 -1.00 0.00 0.00 179.01 180.17 1dt7 h LEU 35 N 1.18 0.01 -0.03 1.33 7.12 -0.93 -0.80 115.31 123.19 1dt7 h LEU 35 Ca 0.27 -0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 1dt7 h LEU 35 Cb 0.20 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1dt7 h LEU 35 CO -0.02 0.01 -0.12 0.40 -0.13 0.00 0.00 178.44 178.57 1dt7 h ILE 36 N 0.02 1.47 -0.28 4.05 2.04 -0.99 -2.08 117.51 121.74 1dt7 h ILE 36 Ca 0.00 -1.58 -0.17 0.00 1.00 0.00 0.00 64.86 64.11 1dt7 h ILE 36 Cb -0.00 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1dt7 h ILE 36 CO -0.00 0.43 -0.50 -1.13 0.00 0.00 0.00 178.15 176.95 1dt7 h ASN 37 N -0.44 0.93 0.15 1.72 -0.73 0.72 -3.19 115.58 114.74 1dt7 h ASN 37 Ca -0.01 -0.53 -0.35 0.00 1.87 0.00 0.00 56.30 57.28 1dt7 h ASN 37 Cb 0.77 -0.27 -0.06 0.00 0.27 0.00 0.00 38.32 39.03 1dt7 h ASN 37 CO 0.03 1.28 -2.18 0.59 -0.37 0.00 0.00 177.43 176.78 1dt7 n ASN 38 N -4.06 0.59 0.00 1.15 5.03 -0.31 -4.11 115.26 113.54 1dt7 n ASN 38 Ca -0.05 0.12 0.14 0.00 0.87 0.00 0.00 54.58 55.66 1dt7 n ASN 38 Cb 0.60 0.43 0.55 0.00 -1.02 0.00 0.00 39.78 40.34 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1dt7 n GLU 39 N -2.93 0.00 -2.85 3.52 2.13 -0.78 -3.89 120.64 115.83 1dt7 n GLU 39 Ca -0.30 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.30 1dt7 n GLU 39 Cb 1.10 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.30 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1dt7 n LEU 40 N -1.50 3.25 -0.38 4.31 4.77 -1.21 -4.87 117.00 121.38 1dt7 n LEU 40 Ca 0.07 -5.14 -0.02 0.00 -0.03 0.00 0.00 56.01 50.89 1dt7 n LEU 40 Cb 0.34 -0.09 0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1dt7 n LEU 40 CO 0.29 2.20 1.30 0.28 -1.33 0.00 0.00 177.39 180.12 1dt7 h SER 41 N 2.89 1.15 0.00 -1.43 0.02 -1.71 -3.32 113.55 111.15 1dt7 h SER 41 Ca 0.13 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1dt7 h SER 41 Cb 0.81 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1dt7 h SER 41 CO 0.71 0.84 -0.03 1.57 -1.14 0.00 0.00 176.83 178.77 1dt7 n HIS 42 N -4.38 0.00 -0.28 3.45 -0.00 -1.26 -4.64 115.22 108.11 1dt7 n HIS 42 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.79 1dt7 n HIS 42 Cb 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.07 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1dt7 h PHE 43 N 0.00 1.08 -3.66 1.57 3.57 -1.90 -3.44 116.94 114.16 1dt7 h PHE 43 Ca 0.00 -0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.21 1dt7 h PHE 43 Cb 0.00 -0.34 -0.15 0.00 2.79 0.00 0.00 35.95 38.25 1dt7 h PHE 43 CO 0.00 0.76 -0.70 -1.17 -2.23 0.00 0.00 178.31 174.97 1dt7 s LEU 44 N -9.91 2.52 -0.21 0.59 2.96 -1.26 -5.07 118.68 108.30 1dt7 s LEU 44 Ca -0.13 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 52.48 1dt7 s LEU 44 Cb 0.15 -0.17 -0.06 0.00 0.50 0.00 0.00 46.19 46.61 1dt7 s LEU 44 CO 0.81 -0.42 2.19 1.21 -1.32 0.00 0.00 176.35 178.82 1dt7 n GLU 45 N -0.10 1.95 -2.25 1.98 4.07 -1.26 -4.65 120.64 120.38 1dt7 n GLU 45 Ca -0.11 0.56 -0.35 0.00 -0.06 0.00 0.00 57.16 57.19 1dt7 n GLU 45 Cb 0.61 -3.10 0.00 0.00 -0.06 0.00 0.00 31.44 28.88 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1dt7 s GLU 46 N 6.10 3.42 0.24 5.31 -1.05 -1.25 -4.99 118.70 126.48 1dt7 s GLU 46 Ca 1.01 1.65 -0.30 0.00 -0.15 0.00 0.00 54.97 57.18 1dt7 s GLU 46 Cb -0.42 -2.08 -0.09 0.00 -0.44 0.00 0.00 34.13 31.10 1dt7 s GLU 46 CO 0.38 -0.80 0.94 0.42 0.95 0.00 0.00 175.26 177.15 1dt7 s ILE 47 N -1.72 4.07 -0.50 1.83 1.01 -1.26 -4.95 121.20 119.66 1dt7 s ILE 47 Ca 0.71 2.08 0.11 0.00 0.00 0.00 0.00 60.65 63.56 1dt7 s ILE 47 Cb -0.25 -4.33 -0.13 0.00 0.01 0.00 0.00 42.46 37.76 1dt7 s ILE 47 CO 0.28 0.50 0.47 0.29 0.00 0.00 0.00 174.94 176.49 1dt7 n LYS 48 N 1.49 2.98 -3.89 2.79 4.01 -1.26 -4.76 118.16 119.52 1dt7 n LYS 48 Ca -0.02 -0.01 -0.12 0.00 -0.51 0.00 0.00 58.31 57.65 1dt7 n LYS 48 Cb 0.47 -1.06 -0.14 0.00 -0.51 0.00 0.00 35.03 33.79 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1dt7 s GLU 49 N -2.14 0.04 0.52 1.97 2.56 -1.26 -5.03 118.70 115.36 1dt7 s GLU 49 Ca 0.04 -0.07 0.16 0.00 0.00 0.00 0.00 54.97 55.11 1dt7 s GLU 49 Cb 0.09 0.00 1.28 0.00 2.00 0.00 0.00 34.13 37.50 1dt7 s GLU 49 CO 0.47 -0.00 2.15 0.37 -0.56 0.00 0.00 175.26 177.69 1dt7 h GLN 50 N 5.99 0.00 -0.85 4.30 5.75 -2.00 -2.49 115.11 125.81 1dt7 h GLN 50 Ca -0.25 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.26 1dt7 h GLN 50 Cb 1.21 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 1dt7 h GLN 50 CO 0.50 0.01 0.56 1.05 -2.65 0.00 0.00 178.83 178.30 1dt7 h GLU 51 N 0.00 1.11 -1.01 1.69 4.11 -2.00 -1.25 114.58 117.24 1dt7 h GLU 51 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1dt7 h GLU 51 Cb 0.02 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 28.97 1dt7 h GLU 51 CO 0.00 0.73 0.67 0.28 0.07 0.00 0.00 179.01 180.76 1dt7 h VAL 52 N 1.14 1.26 -0.70 -1.06 2.07 -1.88 -1.20 116.25 115.88 1dt7 h VAL 52 Ca 0.31 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1dt7 h VAL 52 Cb -0.12 -0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.39 1dt7 h VAL 52 CO -0.07 0.25 0.28 0.58 0.02 0.00 0.00 177.57 178.63 1dt7 h VAL 53 N 1.37 1.24 -0.70 2.57 2.07 -1.34 -1.82 116.25 119.65 1dt7 h VAL 53 Ca 0.37 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1dt7 h VAL 53 Cb -0.15 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1dt7 h VAL 53 CO -0.08 0.31 0.26 -0.78 0.02 0.00 0.00 177.57 177.29 1dt7 h ASP 54 N 1.01 0.97 -0.55 0.57 1.82 -0.55 0.03 116.42 119.72 1dt7 h ASP 54 Ca 0.24 -0.15 -0.12 0.00 -0.39 0.00 0.00 57.03 56.61 1dt7 h ASP 54 Cb 0.20 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 1dt7 h ASP 54 CO -0.02 0.88 -0.11 0.50 -1.61 0.00 0.00 179.24 178.88 1dt7 h LYS 55 N 1.02 1.05 -0.04 0.28 3.64 -0.94 -1.57 116.57 120.00 1dt7 h LYS 55 Ca 0.23 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1dt7 h LYS 55 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1dt7 h LYS 55 CO -0.02 1.08 -0.21 0.28 -2.27 0.00 0.00 179.45 178.31 1dt7 h VAL 56 N 0.93 1.17 -0.19 2.00 2.07 -0.82 -1.73 116.25 119.68 1dt7 h VAL 56 Ca 0.14 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 1dt7 h VAL 56 Cb 0.68 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1dt7 h VAL 56 CO 0.05 0.24 -0.40 0.24 0.02 0.00 0.00 177.57 177.72 1dt7 h MET 57 N 0.06 0.42 -1.01 1.57 2.86 -0.06 1.72 114.93 120.50 1dt7 h MET 57 Ca 0.01 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1dt7 h MET 57 Cb 0.41 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 1dt7 h MET 57 CO 0.03 0.76 0.65 1.49 1.06 0.00 0.00 176.91 180.90 1dt7 h GLU 58 N 0.35 1.15 0.14 1.72 4.81 -0.59 2.69 114.58 124.85 1dt7 h GLU 58 Ca 0.03 -0.07 -0.34 0.00 -0.13 0.00 0.00 59.36 58.85 1dt7 h GLU 58 Cb 0.86 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1dt7 h GLU 58 CO 0.07 0.76 -1.78 1.15 -0.73 0.00 0.00 179.01 178.47 1dt7 h THR 59 N 1.18 0.81 0.00 0.32 2.02 -1.41 -3.38 112.91 112.45 1dt7 h THR 59 Ca 0.44 -2.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 1dt7 h THR 59 Cb 0.17 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1dt7 h THR 59 CO -0.18 0.83 -0.65 0.25 0.37 0.00 0.00 175.52 176.14 1dt7 h LEU 60 N -0.02 0.00 -5.67 2.58 5.85 0.28 -3.36 115.31 114.97 1dt7 h LEU 60 Ca -0.37 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 57.64 1dt7 h LEU 60 Cb 1.98 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.98 1dt7 h LEU 60 CO 0.10 0.03 3.20 -0.67 -0.34 0.00 0.00 178.44 180.76 1dt7 n ASP 61 N -2.84 6.10 -0.37 1.25 -0.08 0.90 -4.65 116.55 116.86 1dt7 n ASP 61 Ca 0.01 -2.80 0.02 0.00 -1.51 0.00 0.00 54.79 50.51 1dt7 n ASP 61 Cb 0.55 -1.58 0.17 0.00 2.34 0.00 0.00 41.12 42.61 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1dt7 h GLU 62 N 5.50 1.16 -0.00 -0.67 5.08 -1.78 0.69 114.58 124.55 1dt7 h GLU 62 Ca 0.67 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1dt7 h GLU 62 Cb 0.48 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1dt7 h GLU 62 CO 1.79 0.77 -0.11 -0.40 -1.00 0.00 0.00 179.01 180.06 1dt7 n ASP 63 N -4.49 0.14 -3.57 1.42 5.75 -1.26 -4.92 116.55 109.61 1dt7 n ASP 63 Ca 0.15 0.19 -0.23 0.00 -0.01 0.00 0.00 54.79 54.89 1dt7 n ASP 63 Cb 0.17 -0.29 0.08 0.00 -1.03 0.00 0.00 41.12 40.05 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 64 N 1.46 -0.52 0.71 6.12 0.00 0.23 -4.88 105.19 108.31 1dt7 n GLY 64 Ca 0.08 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.42 1dt7 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dt7 n ASP 65 N -3.03 2.56 0.00 1.61 5.75 -1.26 -4.93 116.55 117.26 1dt7 n ASP 65 Ca -0.03 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1dt7 n ASP 65 Cb 0.57 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 66 N 0.94 0.48 3.19 6.12 0.00 -1.26 -5.00 105.19 109.66 1dt7 n GLY 66 Ca 0.11 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1dt7 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dt7 s GLU 67 N -0.40 0.33 -0.16 1.61 2.02 -1.26 -3.14 118.70 117.70 1dt7 s GLU 67 Ca 0.00 0.68 -0.21 0.00 0.02 0.00 0.00 54.97 55.46 1dt7 s GLU 67 Cb 0.00 -0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.16 1dt7 s GLU 67 CO 0.00 -0.15 0.64 0.00 0.02 0.00 0.00 175.26 175.76 1dt7 s ASP 69 N 1.04 4.95 0.37 0.00 1.01 -1.26 -1.99 116.67 120.79 1dt7 s ASP 69 Ca 0.31 1.72 0.16 0.00 0.71 0.00 0.00 52.55 55.45 1dt7 s ASP 69 Cb -0.16 -2.51 1.07 0.00 1.01 0.00 0.00 42.92 42.33 1dt7 s ASP 69 CO 0.12 -1.74 1.72 2.19 0.21 0.00 0.00 175.17 177.68 1dt7 h PHE 70 N -0.92 0.80 -0.37 4.23 -5.15 -1.93 0.54 116.94 114.15 1dt7 h PHE 70 Ca -0.44 0.03 -0.16 0.00 -0.20 0.00 0.00 57.97 57.20 1dt7 h PHE 70 Cb 1.22 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 37.16 1dt7 h PHE 70 CO 0.60 -0.01 -0.41 -0.56 -2.00 0.00 0.00 178.31 175.93 1dt7 h GLN 71 N 0.41 0.91 -0.48 6.09 3.07 -1.91 -1.93 115.11 121.27 1dt7 h GLN 71 Ca 0.66 -0.49 -0.14 0.00 0.09 0.00 0.00 58.65 58.77 1dt7 h GLN 71 Cb 1.56 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 29.13 1dt7 h GLN 71 CO -0.42 1.14 -0.23 0.93 0.09 0.00 0.00 178.83 180.35 1dt7 h GLU 72 N 0.74 1.00 -0.24 0.06 5.08 -0.37 -2.63 114.58 118.22 1dt7 h GLU 72 Ca 0.05 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 1dt7 h GLU 72 Cb 1.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1dt7 h GLU 72 CO 0.10 1.11 -0.05 0.35 -1.00 0.00 0.00 179.01 179.52 1dt7 h PHE 73 N 0.86 0.38 -0.99 4.33 3.04 -0.79 -2.58 116.94 121.19 1dt7 h PHE 73 Ca 0.11 -0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.03 1dt7 h PHE 73 Cb 0.81 -0.11 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 1dt7 h PHE 73 CO 0.05 0.43 0.66 0.52 -2.02 0.00 0.00 178.31 177.95 1dt7 h MET 74 N 0.35 1.29 -0.20 1.11 2.86 -0.96 -2.17 114.93 117.21 1dt7 h MET 74 Ca 0.08 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1dt7 h MET 74 Cb 0.32 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1dt7 h MET 74 CO 0.01 0.86 -0.34 0.00 1.06 0.00 0.00 176.91 178.49 1dt7 h ALA 75 N 1.39 1.04 -1.01 6.32 0.00 -1.40 -2.92 119.26 122.68 1dt7 h ALA 75 Ca 0.37 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dt7 h ALA 75 Cb -0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1dt7 h ALA 75 CO -0.08 0.59 0.67 0.35 0.00 0.00 0.00 179.25 180.77 1dt7 h PHE 76 N 0.36 1.27 -0.93 0.00 3.57 -1.35 -2.26 116.94 117.59 1dt7 h PHE 76 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1dt7 h PHE 76 Cb 0.78 -0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 1dt7 h PHE 76 CO 0.02 0.80 0.61 0.28 -2.23 0.00 0.00 178.31 177.79 1dt7 h VAL 77 N 1.37 1.24 -0.54 1.41 2.07 -1.31 -2.27 116.25 118.22 1dt7 h VAL 77 Ca 0.37 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1dt7 h VAL 77 Cb -0.16 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.47 1dt7 h VAL 77 CO -0.08 0.24 -0.04 -1.28 0.02 0.00 0.00 177.57 176.43 1dt7 h SER 78 N 1.26 0.92 -0.49 0.57 0.87 -1.42 -2.17 113.55 113.10 1dt7 h SER 78 Ca 0.34 -0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1dt7 h SER 78 Cb -0.14 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.56 1dt7 h SER 78 CO -0.07 1.00 -0.15 0.24 -0.53 0.00 0.00 176.83 177.32 1dt7 h MET 79 N 0.86 0.96 -0.33 2.24 2.07 -1.23 -2.28 114.93 117.22 1dt7 h MET 79 Ca 0.15 -0.38 -0.16 0.00 -2.07 0.00 0.00 59.70 57.24 1dt7 h MET 79 Cb 0.56 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.23 1dt7 h MET 79 CO 0.03 1.05 -0.42 0.28 1.07 0.00 0.00 176.91 178.92 1dt7 h VAL 80 N 0.81 1.28 -1.00 -2.22 2.07 -1.36 -2.95 116.25 112.88 1dt7 h VAL 80 Ca 0.12 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.05 1dt7 h VAL 80 Cb 0.72 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1dt7 h VAL 80 CO 0.05 0.53 0.66 0.74 0.02 0.00 0.00 177.57 179.57 1dt7 h THR 81 N 0.67 1.26 -0.92 2.57 2.02 -1.30 -0.07 112.91 117.13 1dt7 h THR 81 Ca 0.05 -0.48 0.15 0.00 0.77 0.00 0.00 66.41 66.90 1dt7 h THR 81 Cb 1.00 -0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 1dt7 h THR 81 CO 0.10 0.25 0.59 0.74 0.37 0.00 0.00 175.52 177.57 1dt7 h THR 82 N 1.36 0.83 -0.36 3.16 2.02 -1.23 0.72 112.91 119.42 1dt7 h THR 82 Ca 0.37 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 1dt7 h THR 82 Cb -0.15 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 1dt7 h THR 82 CO -0.08 0.14 -0.14 0.00 0.37 0.00 0.00 175.52 175.80 1dt7 h ALA 83 N 1.59 1.08 -0.84 6.16 0.00 -0.99 -2.73 119.26 123.55 1dt7 h ALA 83 Ca 0.47 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1dt7 h ALA 83 Cb 0.72 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1dt7 h ALA 83 CO -0.23 0.56 0.55 0.00 0.00 0.00 0.00 179.25 180.14 1dt7 h HIS 85 N 1.13 1.26 -0.87 0.00 6.17 -1.05 1.07 115.15 122.88 1dt7 h HIS 85 Ca 0.31 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.43 1dt7 h HIS 85 Cb -0.13 -0.43 -0.04 0.00 2.52 0.00 0.00 27.41 29.33 1dt7 h HIS 85 CO 0.00 0.79 0.57 1.49 0.71 0.00 0.00 177.93 181.50 1dt7 h GLU 86 N 1.36 1.14 0.00 5.26 4.81 -1.22 -1.37 114.58 124.55 1dt7 h GLU 86 Ca 0.37 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1dt7 h GLU 86 Cb -0.15 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 28.96 1dt7 h GLU 86 CO -0.08 0.75 -0.67 0.74 -0.73 0.00 0.00 179.01 179.02 1dt7 h PHE 87 N 1.17 0.00 -1.27 0.92 -1.00 -0.72 -3.34 116.94 112.70 1dt7 h PHE 87 Ca 0.32 0.00 -0.75 0.00 2.81 0.00 0.00 57.97 60.35 1dt7 h PHE 87 Cb -0.13 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.29 1dt7 h PHE 87 CO -0.00 0.49 2.24 0.34 -1.61 0.00 0.00 178.31 179.77 1dt7 n PHE 88 N -3.15 2.73 -2.18 -0.55 -0.00 0.36 -4.94 117.46 109.73 1dt7 n PHE 88 Ca -0.00 -2.80 -0.42 0.00 -0.00 0.00 0.00 57.45 54.22 1dt7 n PHE 88 Cb 0.75 -1.88 -0.03 0.00 -0.00 0.00 0.00 39.48 38.32 1dt7 n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1dt7 s GLU 89 N -0.44 3.32 0.00 -4.13 2.12 -1.24 -4.81 118.70 113.52 1dt7 s GLU 89 Ca 0.47 1.02 0.27 0.00 0.36 0.00 0.00 54.97 57.09 1dt7 s GLU 89 Cb 0.14 -4.15 1.45 0.00 0.26 0.00 0.00 34.13 31.83 1dt7 s GLU 89 CO -0.05 -1.88 1.94 -2.39 -0.54 0.00 0.00 175.26 172.35 1dt7 n HIS 90 N 9.98 0.00 0.00 5.30 1.44 -1.26 -5.18 115.22 125.50 1dt7 n HIS 90 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1dt7 n HIS 90 Cb 0.48 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.40 1dt7 n HIS 90 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92