#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 -3.14 -0.62 6.12 7.64 -1.26 -4.68 113.62 117.69 1dt7 n SER 1 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1dt7 n SER 1 Cb 0.00 -2.24 0.00 0.00 -1.01 0.00 0.00 64.21 60.96 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1dt7 n GLU 2 N 0.38 0.79 -0.22 1.43 0.28 -1.26 -3.90 120.64 118.13 1dt7 n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1dt7 n GLU 2 Cb 0.26 -1.33 0.24 0.00 1.43 0.00 0.00 31.44 32.05 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1dt7 h LEU 3 N 0.45 0.87 -0.99 -1.84 7.12 -2.01 -1.45 115.31 117.45 1dt7 h LEU 3 Ca 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1dt7 h LEU 3 Cb 0.48 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.36 1dt7 h LEU 3 CO 0.00 0.63 0.42 1.05 -0.13 0.00 0.00 178.44 180.41 1dt7 h GLU 4 N 1.03 1.13 -0.88 1.25 4.11 -1.98 -1.80 114.58 117.44 1dt7 h GLU 4 Ca 0.28 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.54 1dt7 h GLU 4 Cb -0.12 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 28.88 1dt7 h GLU 4 CO -0.06 0.85 0.46 -0.22 0.07 0.00 0.00 179.01 180.10 1dt7 h LYS 5 N 1.13 1.25 -0.95 1.06 3.64 -1.58 -1.84 116.57 119.28 1dt7 h LYS 5 Ca 0.28 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1dt7 h LYS 5 Cb 0.06 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 1dt7 h LYS 5 CO -0.04 0.93 0.56 0.00 -2.27 0.00 0.00 179.45 178.63 1dt7 h ALA 6 N 1.25 1.21 -0.87 5.00 0.00 -0.98 -1.98 119.26 122.88 1dt7 h ALA 6 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1dt7 h ALA 6 Cb 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1dt7 h ALA 6 CO -0.04 0.67 0.44 0.52 0.00 0.00 0.00 179.25 180.84 1dt7 h MET 7 N 1.31 1.24 -0.46 0.00 2.86 -0.71 -2.35 114.93 116.82 1dt7 h MET 7 Ca 0.34 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1dt7 h MET 7 Cb -0.05 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.37 1dt7 h MET 7 CO -0.06 0.93 -0.11 0.28 1.06 0.00 0.00 176.91 179.02 1dt7 h VAL 8 N 1.24 1.26 -0.43 -2.22 2.07 -0.86 -3.10 116.25 114.22 1dt7 h VAL 8 Ca 0.30 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.49 1dt7 h VAL 8 Cb 0.08 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1dt7 h VAL 8 CO -0.04 0.41 -0.28 0.00 0.02 0.00 0.00 177.57 177.68 1dt7 h ALA 9 N 1.12 0.69 -1.00 1.67 0.00 -0.94 -2.34 119.26 118.46 1dt7 h ALA 9 Ca 0.13 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1dt7 h ALA 9 Cb 0.61 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1dt7 h ALA 9 CO 0.04 0.67 0.66 -0.07 0.00 0.00 0.00 179.25 180.55 1dt7 h LEU 10 N 0.78 1.15 -0.46 0.00 4.07 -1.37 -2.29 115.31 117.20 1dt7 h LEU 10 Ca 0.09 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.88 1dt7 h LEU 10 Cb 0.85 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1dt7 h LEU 10 CO 0.08 0.83 -0.26 0.40 -1.08 0.00 0.00 178.44 178.41 1dt7 h ILE 11 N 1.36 1.27 -0.37 1.22 2.04 -1.45 -2.40 117.51 119.18 1dt7 h ILE 11 Ca 0.37 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 1dt7 h ILE 11 Cb -0.16 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1dt7 h ILE 11 CO -0.08 0.49 0.12 -0.78 0.00 0.00 0.00 178.15 177.90 1dt7 h ASP 12 N 0.84 0.53 -0.22 1.72 1.82 -0.88 -2.65 116.42 117.58 1dt7 h ASP 12 Ca 0.10 -0.20 -0.21 0.00 -0.39 0.00 0.00 57.03 56.34 1dt7 h ASP 12 Cb 0.85 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.73 1dt7 h ASP 12 CO 0.08 0.58 -0.67 0.58 -1.61 0.00 0.00 179.24 178.20 1dt7 h VAL 13 N 0.44 1.27 -0.97 2.25 2.07 -1.50 -3.09 116.25 116.73 1dt7 h VAL 13 Ca 0.12 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 65.79 1dt7 h VAL 13 Cb 0.24 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1dt7 h VAL 13 CO -0.01 0.60 0.64 0.15 0.02 0.00 0.00 177.57 178.97 1dt7 h PHE 14 N 0.61 1.22 0.00 1.57 3.57 -1.42 -0.56 116.94 121.94 1dt7 h PHE 14 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1dt7 h PHE 14 Cb 1.29 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1dt7 h PHE 14 CO 0.08 0.77 -0.21 1.25 -2.23 0.00 0.00 178.31 177.97 1dt7 h HIS 15 N 1.32 0.00 -0.82 0.41 2.76 -1.44 -1.56 115.15 115.81 1dt7 h HIS 15 Ca 0.36 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1dt7 h HIS 15 Cb -0.15 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.77 1dt7 h HIS 15 CO 0.00 0.21 0.55 0.37 -1.30 0.00 0.00 177.93 177.75 1dt7 h GLN 16 N 0.00 1.08 0.02 5.26 5.75 -1.01 -2.81 115.11 123.40 1dt7 h GLN 16 Ca -0.00 -0.07 -0.36 0.00 -0.15 0.00 0.00 58.65 58.08 1dt7 h GLN 16 Cb 0.45 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 1dt7 h GLN 16 CO 0.03 0.72 -2.22 0.66 -2.65 0.00 0.00 178.83 175.37 1dt7 n TYR 17 N -4.51 0.37 -0.25 3.99 4.02 -1.10 -4.08 117.16 115.59 1dt7 n TYR 17 Ca 0.08 0.11 -0.07 0.00 -0.01 0.00 0.00 57.90 58.01 1dt7 n TYR 17 Cb 0.01 -1.06 0.05 0.00 -0.02 0.00 0.00 39.34 38.32 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 0.01 1.08 0.88 7.72 4.64 -1.34 -2.22 113.55 124.32 1dt7 h SER 18 Ca -0.48 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1dt7 h SER 18 Cb 2.09 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1dt7 h SER 18 CO 0.02 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 1dt7 n GLY 19 N -0.66 -1.39 0.10 -0.77 0.00 -1.06 -1.90 105.19 99.50 1dt7 n GLY 19 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.22 -0.02 1.61 2.43 -1.54 -2.50 114.38 114.58 1dt7 h ARG 20 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dt7 h ARG 20 Cb 0.44 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1dt7 h ARG 20 CO 0.00 0.15 -0.22 -1.91 -1.51 0.00 0.00 179.97 176.48 1dt7 n GLU 21 N -4.97 1.37 -0.13 0.20 2.13 -1.23 -4.92 120.64 113.08 1dt7 n GLU 21 Ca -0.04 -0.97 0.00 0.00 0.66 0.00 0.00 57.16 56.81 1dt7 n GLU 21 Cb 0.03 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dt7 n GLY 22 N 1.33 1.07 2.75 8.31 0.00 -0.94 -4.95 105.19 112.76 1dt7 n GLY 22 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1dt7 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dt7 n ASP 23 N 0.00 4.30 -0.09 1.61 8.00 -0.80 -4.68 116.55 124.89 1dt7 n ASP 23 Ca 0.00 -2.91 -0.13 0.00 0.71 0.00 0.00 54.79 52.46 1dt7 n ASP 23 Cb 0.00 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 39.45 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1dt7 h LYS 24 N 5.90 0.73 0.00 -1.24 3.64 -1.92 -3.13 116.57 120.55 1dt7 h LYS 24 Ca 0.53 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1dt7 h LYS 24 Cb 0.63 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1dt7 h LYS 24 CO 1.82 1.02 0.00 -2.39 -2.27 0.00 0.00 179.45 177.63 1dt7 n HIS 25 N -4.23 0.73 -4.03 1.91 1.44 -1.26 -4.85 115.22 104.92 1dt7 n HIS 25 Ca -0.04 0.22 -0.07 0.00 -2.01 0.00 0.00 57.72 55.81 1dt7 n HIS 25 Cb 0.49 -0.85 -0.09 0.00 0.12 0.00 0.00 29.99 29.66 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1dt7 s LYS 26 N -3.10 0.66 -0.10 -1.40 2.20 -1.18 -3.97 119.74 112.86 1dt7 s LYS 26 Ca 0.11 -1.15 0.04 0.00 -0.36 0.00 0.00 55.97 54.60 1dt7 s LYS 26 Cb 0.13 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1dt7 s LYS 26 CO 0.56 -0.15 -0.24 -1.17 -0.36 0.00 0.00 175.35 174.00 1dt7 s LEU 27 N -2.90 2.09 -0.10 5.43 1.98 -0.42 -4.61 118.68 120.15 1dt7 s LEU 27 Ca 0.06 -0.56 -0.04 0.00 -2.89 0.00 0.00 54.13 50.70 1dt7 s LEU 27 Cb 0.07 -1.41 -0.04 0.00 0.66 0.00 0.00 46.19 45.47 1dt7 s LEU 27 CO -0.10 0.16 0.08 -0.75 -1.89 0.00 0.00 176.35 173.85 1dt7 s LYS 28 N 0.35 3.24 0.59 1.98 2.20 -1.26 -0.54 119.74 126.30 1dt7 s LYS 28 Ca -0.19 -0.26 0.16 0.00 -0.36 0.00 0.00 55.97 55.32 1dt7 s LYS 28 Cb -0.18 -3.01 0.56 0.00 -1.51 0.00 0.00 37.83 33.69 1dt7 s LYS 28 CO 0.09 0.74 1.13 0.36 -0.36 0.00 0.00 175.35 177.31 1dt7 n LYS 29 N 1.97 0.02 0.06 4.03 2.85 -1.22 -0.11 118.16 125.76 1dt7 n LYS 29 Ca -0.19 0.95 -0.11 0.00 -1.05 0.00 0.00 58.31 57.91 1dt7 n LYS 29 Cb 0.54 -2.42 -0.08 0.00 -0.65 0.00 0.00 35.03 32.43 1dt7 n LYS 29 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1dt7 h SER 30 N 0.00 -0.19 0.41 -5.58 0.02 -1.92 -2.43 113.55 103.86 1dt7 h SER 30 Ca 0.30 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1dt7 h SER 30 Cb 2.48 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 65.06 1dt7 h SER 30 CO -0.00 0.35 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.39 1dt7 h GLU 31 N -0.86 0.00 -0.16 3.45 5.08 -0.87 -2.80 114.58 118.42 1dt7 h GLU 31 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1dt7 h GLU 31 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1dt7 h GLU 31 CO 0.04 0.32 0.10 1.25 -1.00 0.00 0.00 179.01 179.72 1dt7 h LEU 32 N 0.00 0.18 -0.93 1.33 5.85 -1.26 -2.00 115.31 118.48 1dt7 h LEU 32 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1dt7 h LEU 32 Cb 0.61 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1dt7 h LEU 32 CO 0.04 0.14 0.53 0.50 -0.34 0.00 0.00 178.44 179.30 1dt7 h LYS 33 N 0.21 1.27 -0.52 1.25 3.64 -1.16 -1.89 116.57 119.37 1dt7 h LYS 33 Ca 0.06 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1dt7 h LYS 33 Cb -0.02 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1dt7 h LYS 33 CO -0.01 0.91 0.14 0.93 -2.27 0.00 0.00 179.45 179.15 1dt7 h GLU 34 N 1.28 0.78 0.00 1.90 5.08 -1.36 0.27 114.58 122.53 1dt7 h GLU 34 Ca 0.33 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1dt7 h GLU 34 Cb -0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1dt7 h GLU 34 CO -0.06 0.69 -0.00 1.25 -1.00 0.00 0.00 179.01 179.90 1dt7 h LEU 35 N 0.76 -0.00 -0.07 1.33 6.46 -0.81 -0.22 115.31 122.76 1dt7 h LEU 35 Ca 0.17 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1dt7 h LEU 35 Cb 0.25 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1dt7 h LEU 35 CO -0.01 0.30 0.01 0.40 -0.62 0.00 0.00 178.44 178.52 1dt7 h ILE 36 N -0.30 1.23 -0.16 4.05 2.04 -0.98 0.43 117.51 123.82 1dt7 h ILE 36 Ca -0.00 -0.70 -0.21 0.00 1.00 0.00 0.00 64.86 64.95 1dt7 h ILE 36 Cb 0.30 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1dt7 h ILE 36 CO 0.00 0.20 -0.73 -1.13 0.00 0.00 0.00 178.15 176.49 1dt7 h ASN 37 N -0.14 0.84 0.04 1.72 -0.73 -0.54 -3.14 115.58 113.64 1dt7 h ASN 37 Ca 0.02 -0.53 -0.38 0.00 1.87 0.00 0.00 56.30 57.29 1dt7 h ASN 37 Cb 0.30 -0.25 -0.06 0.00 0.27 0.00 0.00 38.32 38.58 1dt7 h ASN 37 CO 0.00 1.31 -2.35 0.59 -0.37 0.00 0.00 177.43 176.61 1dt7 n ASN 38 N -3.93 1.34 0.06 1.15 5.03 -0.10 -3.23 115.26 115.59 1dt7 n ASN 38 Ca -0.06 -0.03 0.13 0.00 0.87 0.00 0.00 54.58 55.49 1dt7 n ASN 38 Cb 0.72 -0.02 0.38 0.00 -1.02 0.00 0.00 39.78 39.84 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 -3.12 0.19 -2.74 3.52 2.13 0.15 -4.07 120.64 116.70 1dt7 n GLU 39 Ca -0.39 0.12 -0.05 0.00 0.66 0.00 0.00 57.16 57.50 1dt7 n GLU 39 Cb 1.05 -1.68 0.05 0.00 0.27 0.00 0.00 31.44 31.13 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 -1.98 1.00 0.04 4.31 4.77 -1.12 -4.89 117.00 119.12 1dt7 n LEU 40 Ca 0.05 -3.37 -0.12 0.00 -0.03 0.00 0.00 56.01 52.54 1dt7 n LEU 40 Cb 0.40 0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.81 1dt7 n LEU 40 CO 0.31 1.39 0.87 -1.28 -1.33 0.00 0.00 177.39 177.35 1dt7 h SER 41 N 2.61 0.00 0.00 -1.43 0.87 -1.66 -2.00 113.55 111.94 1dt7 h SER 41 Ca -0.16 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1dt7 h SER 41 Cb 1.24 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1dt7 h SER 41 CO 0.27 0.00 -1.23 1.41 -0.53 0.00 0.00 176.83 176.75 1dt7 n HIS 42 N -5.09 0.00 1.01 2.24 8.25 -1.26 -3.93 115.22 116.43 1dt7 n HIS 42 Ca -0.07 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.52 1dt7 n HIS 42 Cb 0.03 -0.12 0.37 0.00 1.12 0.00 0.00 29.99 31.38 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1dt7 n PHE 43 N -1.68 0.00 -3.97 4.41 7.35 -1.20 -4.91 117.46 117.45 1dt7 n PHE 43 Ca 0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.62 1dt7 n PHE 43 Cb 0.38 -0.32 -0.05 0.00 0.35 0.00 0.00 39.48 39.84 1dt7 n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1dt7 s LEU 44 N -2.99 0.22 -0.09 -2.13 0.20 -0.76 -5.05 118.68 108.08 1dt7 s LEU 44 Ca 0.12 -0.88 -0.30 0.00 0.69 0.00 0.00 54.13 53.77 1dt7 s LEU 44 Cb 0.18 1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 47.84 1dt7 s LEU 44 CO 0.65 -1.18 1.58 -1.83 -0.29 0.00 0.00 176.35 175.27 1dt7 s GLU 45 N -3.98 4.15 0.47 1.98 -1.05 -1.26 -4.60 118.70 114.41 1dt7 s GLU 45 Ca 0.20 2.04 -0.24 0.00 -0.15 0.00 0.00 54.97 56.82 1dt7 s GLU 45 Cb -0.02 -3.95 -0.07 0.00 -0.44 0.00 0.00 34.13 29.65 1dt7 s GLU 45 CO 0.09 -0.86 1.36 -2.00 0.95 0.00 0.00 175.26 174.79 1dt7 s GLU 46 N 4.00 3.60 -0.01 -4.83 2.12 -1.25 -4.93 118.70 117.39 1dt7 s GLU 46 Ca 0.70 2.26 -0.20 0.00 0.36 0.00 0.00 54.97 58.09 1dt7 s GLU 46 Cb -0.30 -2.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 1dt7 s GLU 46 CO 0.27 -0.83 0.56 0.42 -0.54 0.00 0.00 175.26 175.13 1dt7 s ILE 47 N -1.27 4.94 -0.06 -3.70 -1.09 -1.26 -4.96 121.20 113.80 1dt7 s ILE 47 Ca 0.63 1.17 0.11 0.00 -2.23 0.00 0.00 60.65 60.33 1dt7 s ILE 47 Cb -0.40 -3.89 -0.17 0.00 -1.58 0.00 0.00 42.46 36.41 1dt7 s ILE 47 CO 0.50 0.43 0.16 0.29 -1.23 0.00 0.00 174.94 175.10 1dt7 n LYS 48 N 2.66 1.19 -4.32 2.79 4.76 -1.26 -4.92 118.16 119.05 1dt7 n LYS 48 Ca -0.08 -0.06 -0.25 0.00 -2.87 0.00 0.00 58.31 55.05 1dt7 n LYS 48 Cb 0.51 -1.30 -0.13 0.00 -1.84 0.00 0.00 35.03 32.28 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1dt7 s GLU 49 N -2.59 1.19 0.52 1.97 0.41 -1.26 -5.01 118.70 113.92 1dt7 s GLU 49 Ca -0.05 -1.19 0.30 0.00 -0.41 0.00 0.00 54.97 53.62 1dt7 s GLU 49 Cb 0.06 -1.49 1.25 0.00 -1.78 0.00 0.00 34.13 32.17 1dt7 s GLU 49 CO 0.50 0.35 1.95 1.96 -0.49 0.00 0.00 175.26 179.52 1dt7 h GLN 50 N 4.07 0.00 -0.98 1.61 1.08 -2.01 -3.07 115.11 115.81 1dt7 h GLN 50 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1dt7 h GLN 50 Cb 1.18 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.56 1dt7 h GLN 50 CO 0.40 0.08 0.62 1.05 -0.95 0.00 0.00 178.83 180.03 1dt7 h GLU 51 N 0.00 1.31 -1.00 1.46 4.11 -1.99 -1.46 114.58 117.00 1dt7 h GLU 51 Ca -0.00 -0.10 0.01 0.00 0.07 0.00 0.00 59.36 59.34 1dt7 h GLU 51 Cb 0.57 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1dt7 h GLU 51 CO 0.01 0.89 0.66 0.28 0.07 0.00 0.00 179.01 180.92 1dt7 h VAL 52 N 1.34 1.26 -0.15 -1.06 2.07 -1.97 -1.11 116.25 116.62 1dt7 h VAL 52 Ca 0.35 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1dt7 h VAL 52 Cb -0.11 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.43 1dt7 h VAL 52 CO -0.07 0.25 -0.32 0.58 0.02 0.00 0.00 177.57 178.03 1dt7 h VAL 53 N 1.36 1.27 -0.15 2.57 2.07 -1.50 -2.06 116.25 119.81 1dt7 h VAL 53 Ca 0.37 -1.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 1dt7 h VAL 53 Cb -0.15 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1dt7 h VAL 53 CO -0.08 0.40 -0.48 -0.78 0.02 0.00 0.00 177.57 176.65 1dt7 h ASP 54 N 0.25 0.43 -0.37 0.57 1.82 -0.23 0.02 116.42 118.90 1dt7 h ASP 54 Ca 0.03 -0.21 -0.17 0.00 -0.39 0.00 0.00 57.03 56.30 1dt7 h ASP 54 Cb 0.69 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.58 1dt7 h ASP 54 CO 0.05 0.84 -0.41 0.50 -1.61 0.00 0.00 179.24 178.61 1dt7 h LYS 55 N 0.32 0.94 -0.30 0.28 3.64 -1.04 -2.31 116.57 118.10 1dt7 h LYS 55 Ca 0.02 -0.51 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 1dt7 h LYS 55 Cb 0.96 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1dt7 h LYS 55 CO 0.08 1.17 -0.10 0.28 -2.27 0.00 0.00 179.45 178.61 1dt7 h VAL 56 N 0.76 1.22 -0.97 2.00 2.07 -1.16 -2.10 116.25 118.07 1dt7 h VAL 56 Ca 0.05 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1dt7 h VAL 56 Cb 1.01 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1dt7 h VAL 56 CO 0.10 0.31 0.61 0.24 0.02 0.00 0.00 177.57 178.85 1dt7 h MET 57 N 0.46 1.30 -0.96 1.57 2.86 -0.46 0.45 114.93 120.14 1dt7 h MET 57 Ca 0.09 -0.10 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1dt7 h MET 57 Cb 0.45 -0.28 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 1dt7 h MET 57 CO 0.02 0.89 0.61 0.93 1.06 0.00 0.00 176.91 180.43 1dt7 h GLU 58 N 1.33 0.82 0.11 1.72 5.08 -0.94 3.38 114.58 126.08 1dt7 h GLU 58 Ca 0.35 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1dt7 h GLU 58 Cb -0.09 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 28.99 1dt7 h GLU 58 CO -0.07 0.54 -0.60 1.15 -1.00 0.00 0.00 179.01 179.03 1dt7 h THR 59 N 0.84 1.59 0.00 1.13 2.02 -1.05 -3.36 112.91 114.08 1dt7 h THR 59 Ca 0.49 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1dt7 h THR 59 Cb 0.65 3.26 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1dt7 h THR 59 CO -0.26 0.69 -0.79 0.18 0.37 0.00 0.00 175.52 175.71 1dt7 n LEU 60 N -4.25 0.70 -3.42 2.58 4.77 0.14 -4.33 117.00 113.20 1dt7 n LEU 60 Ca -0.13 0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 1dt7 n LEU 60 Cb 0.74 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1dt7 n LEU 60 CO 0.45 -0.06 3.14 -0.67 -1.33 0.00 0.00 177.39 178.92 1dt7 n ASP 61 N -2.18 7.75 -0.30 -1.43 -0.08 1.12 -4.56 116.55 116.87 1dt7 n ASP 61 Ca 0.02 -2.70 -0.01 0.00 -1.51 0.00 0.00 54.79 50.60 1dt7 n ASP 61 Cb 0.46 -1.55 0.18 0.00 2.34 0.00 0.00 41.12 42.55 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 5.15 1.16 0.00 -0.67 5.08 -1.79 0.32 114.58 123.83 1dt7 h GLU 62 Ca 0.79 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1dt7 h GLU 62 Cb 0.35 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1dt7 h GLU 62 CO 1.77 0.76 0.00 -0.25 -1.00 0.00 0.00 179.01 180.29 1dt7 n ASP 63 N -4.40 0.49 -2.38 1.42 8.00 -1.26 -4.88 116.55 113.54 1dt7 n ASP 63 Ca 0.10 0.59 -0.20 0.00 0.71 0.00 0.00 54.79 55.99 1dt7 n ASP 63 Cb 0.02 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 40.42 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dt7 n GLY 64 N 0.52 -0.46 0.80 0.44 0.00 0.11 -4.86 105.19 101.73 1dt7 n GLY 64 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.92 3.01 0.00 1.61 5.75 -1.26 -4.92 116.55 118.82 1dt7 n ASP 65 Ca -0.22 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 1dt7 n ASP 65 Cb 0.67 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 0.85 0.62 2.79 6.12 0.00 -1.26 -4.99 105.19 109.32 1dt7 n GLY 66 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.00 -0.02 -0.20 1.61 2.02 -1.26 -3.41 118.70 117.43 1dt7 s GLU 67 Ca 0.00 0.15 -0.10 0.00 0.02 0.00 0.00 54.97 55.04 1dt7 s GLU 67 Cb 0.00 -0.21 -0.05 0.00 0.10 0.00 0.00 34.13 33.97 1dt7 s GLU 67 CO 0.00 -0.14 0.13 0.00 0.02 0.00 0.00 175.26 175.27 1dt7 s ASP 69 N 0.45 3.50 0.35 0.00 -1.08 -1.26 -1.31 116.67 117.31 1dt7 s ASP 69 Ca 0.07 2.22 0.15 0.00 -0.52 0.00 0.00 52.55 54.47 1dt7 s ASP 69 Cb -0.11 -2.57 1.04 0.00 -1.46 0.00 0.00 42.92 39.82 1dt7 s ASP 69 CO -0.01 -2.72 1.71 0.15 0.52 0.00 0.00 175.17 174.81 1dt7 h PHE 70 N -1.26 0.88 -0.30 -5.34 3.57 -1.87 0.69 116.94 113.31 1dt7 h PHE 70 Ca -0.45 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 60.95 1dt7 h PHE 70 Cb 1.28 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1dt7 h PHE 70 CO 0.50 -0.04 -0.36 -0.56 -2.23 0.00 0.00 178.31 175.61 1dt7 h GLN 71 N 0.42 0.68 -0.64 1.11 3.07 -1.91 -2.65 115.11 115.19 1dt7 h GLN 71 Ca 0.68 -0.33 -0.01 0.00 0.09 0.00 0.00 58.65 59.07 1dt7 h GLN 71 Cb 1.54 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.07 1dt7 h GLN 71 CO -0.48 0.94 0.34 0.93 0.09 0.00 0.00 178.83 180.65 1dt7 h GLU 72 N 0.57 0.90 -0.67 0.06 5.08 0.09 -2.04 114.58 118.57 1dt7 h GLU 72 Ca 0.06 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1dt7 h GLU 72 Cb 0.89 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1dt7 h GLU 72 CO 0.08 0.68 0.23 0.35 -1.00 0.00 0.00 179.01 179.35 1dt7 h PHE 73 N 0.87 1.03 -0.90 4.33 3.57 -1.32 -2.64 116.94 121.89 1dt7 h PHE 73 Ca 0.22 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1dt7 h PHE 73 Cb 0.05 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 1dt7 h PHE 73 CO -0.01 0.81 0.59 0.52 -2.23 0.00 0.00 178.31 178.00 1dt7 h MET 74 N 0.98 1.18 -0.15 1.11 2.86 -1.02 -1.73 114.93 118.17 1dt7 h MET 74 Ca 0.22 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1dt7 h MET 74 Cb 0.25 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1dt7 h MET 74 CO -0.01 0.78 -0.07 0.00 1.06 0.00 0.00 176.91 178.67 1dt7 h ALA 75 N 1.44 1.62 -0.24 6.32 0.00 -1.04 -0.48 119.26 126.89 1dt7 h ALA 75 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1dt7 h ALA 75 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1dt7 h ALA 75 CO -0.07 0.28 0.16 0.35 0.00 0.00 0.00 179.25 179.96 1dt7 h PHE 76 N 0.21 0.29 -0.92 0.00 3.57 -1.30 -1.17 116.94 117.62 1dt7 h PHE 76 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1dt7 h PHE 76 Cb 0.26 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1dt7 h PHE 76 CO 0.00 0.18 0.53 0.28 -2.23 0.00 0.00 178.31 177.07 1dt7 h VAL 77 N 0.32 1.26 -0.62 1.41 2.07 -1.04 -2.34 116.25 117.30 1dt7 h VAL 77 Ca 0.09 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 1dt7 h VAL 77 Cb -0.03 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 1dt7 h VAL 77 CO -0.02 0.28 0.01 -1.28 0.02 0.00 0.00 177.57 176.59 1dt7 h SER 78 N 1.28 1.07 -0.32 0.57 0.87 -1.18 -1.03 113.55 114.80 1dt7 h SER 78 Ca 0.33 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 1dt7 h SER 78 Cb -0.01 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1dt7 h SER 78 CO -0.06 1.11 -0.18 0.24 -0.53 0.00 0.00 176.83 177.41 1dt7 h MET 79 N 1.00 0.69 0.01 2.24 2.07 -1.31 -2.81 114.93 116.81 1dt7 h MET 79 Ca 0.18 -0.31 -0.19 0.00 -2.07 0.00 0.00 59.70 57.31 1dt7 h MET 79 Cb 0.55 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 1dt7 h MET 79 CO 0.03 0.91 -0.89 0.28 1.07 0.00 0.00 176.91 178.32 1dt7 h VAL 80 N 0.46 1.60 -1.00 -2.22 2.07 -1.42 -3.13 116.25 112.61 1dt7 h VAL 80 Ca 0.07 -2.94 0.01 0.00 0.82 0.00 0.00 66.70 64.66 1dt7 h VAL 80 Cb 0.72 2.60 -0.05 0.00 -1.52 0.00 0.00 31.29 33.04 1dt7 h VAL 80 CO 0.05 0.84 0.65 0.74 0.02 0.00 0.00 177.57 179.87 1dt7 h THR 81 N 0.02 1.26 -0.98 2.57 2.02 -1.16 -0.26 112.91 116.37 1dt7 h THR 81 Ca -0.02 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1dt7 h THR 81 Cb 1.55 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 1dt7 h THR 81 CO 0.12 0.25 0.65 0.74 0.37 0.00 0.00 175.52 177.65 1dt7 h THR 82 N 1.35 1.25 -0.99 3.16 2.02 -1.45 -0.99 112.91 117.26 1dt7 h THR 82 Ca 0.36 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1dt7 h THR 82 Cb -0.14 -0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.03 1dt7 h THR 82 CO -0.08 0.24 0.66 0.00 0.37 0.00 0.00 175.52 176.72 1dt7 h ALA 83 N 1.39 1.29 -0.50 6.16 0.00 -1.03 -1.21 119.26 125.36 1dt7 h ALA 83 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1dt7 h ALA 83 Cb -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.21 1dt7 h ALA 83 CO -0.08 0.65 0.33 0.00 0.00 0.00 0.00 179.25 180.16 1dt7 h HIS 85 N 0.68 1.15 -1.01 0.00 6.17 -0.88 1.31 115.15 122.57 1dt7 h HIS 85 Ca 0.18 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.30 1dt7 h HIS 85 Cb -0.08 -0.39 -0.05 0.00 2.52 0.00 0.00 27.41 29.42 1dt7 h HIS 85 CO 0.00 0.69 0.67 0.93 0.71 0.00 0.00 177.93 180.92 1dt7 h GLU 86 N 1.21 1.32 0.00 5.26 4.39 -1.22 0.33 114.58 125.87 1dt7 h GLU 86 Ca 0.36 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 1dt7 h GLU 86 Cb -0.04 -0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 28.29 1dt7 h GLU 86 CO -0.10 0.87 -1.07 0.74 -1.16 0.00 0.00 179.01 178.29 1dt7 h PHE 87 N 1.36 0.00 -0.02 4.33 0.04 -1.13 -3.30 116.94 118.22 1dt7 h PHE 87 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1dt7 h PHE 87 Cb -0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1dt7 h PHE 87 CO -0.00 0.33 -0.00 1.19 -0.60 0.00 0.00 178.31 179.22 1dt7 n PHE 88 N -2.87 0.00 0.00 -0.55 3.01 0.44 -3.58 117.46 113.91 1dt7 n PHE 88 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1dt7 n PHE 88 Cb 0.71 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1dt7 n GLU 89 N 0.45 0.00 0.00 -1.08 2.13 0.11 -4.50 120.64 117.75 1dt7 n GLU 89 Ca 0.18 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.13 1dt7 n GLU 89 Cb 0.41 -0.06 0.46 0.00 0.27 0.00 0.00 31.44 32.52 1dt7 n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1dt7 n HIS 90 N 0.00 0.00 0.25 4.31 1.44 -1.26 -5.11 115.22 114.85 1dt7 n HIS 90 Ca 0.00 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.74 1dt7 n HIS 90 Cb 0.00 -0.07 0.03 0.00 0.12 0.00 0.00 29.99 30.07 1dt7 n HIS 90 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92