#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 -5.42 0.00 7.83 3.41 -1.26 -4.82 113.62 113.36 1dt7 n SER 1 Ca 0.00 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1dt7 n SER 1 Cb 0.00 -4.53 0.51 0.00 -0.26 0.00 0.00 64.21 59.93 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dt7 n GLU 2 N -2.67 0.03 -0.06 4.33 1.02 -1.26 -3.80 120.64 118.24 1dt7 n GLU 2 Ca -0.21 0.09 0.22 0.00 -0.02 0.00 0.00 57.16 57.23 1dt7 n GLU 2 Cb 0.65 -1.50 0.42 0.00 -0.02 0.00 0.00 31.44 30.99 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 -0.44 -4.62 5.85 -2.00 0.77 115.31 114.87 1dt7 h LEU 3 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1dt7 h LEU 3 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1dt7 h LEU 3 CO 0.00 0.00 -0.32 -0.08 -0.34 0.00 0.00 178.44 177.70 1dt7 h GLU 4 N 0.00 0.96 -0.06 1.25 4.22 -1.98 -2.32 114.58 116.65 1dt7 h GLU 4 Ca 0.35 -0.47 -0.16 0.00 0.08 0.00 0.00 59.36 59.16 1dt7 h GLU 4 Cb 2.43 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.67 1dt7 h GLU 4 CO -0.00 1.13 -0.68 1.57 -2.18 0.00 0.00 179.01 178.85 1dt7 h LYS 5 N 0.80 0.25 -0.35 1.92 2.10 0.25 -3.01 116.57 118.53 1dt7 h LYS 5 Ca 0.08 -0.20 -0.13 0.00 -2.00 0.00 0.00 60.65 58.40 1dt7 h LYS 5 Cb 0.91 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 1dt7 h LYS 5 CO 0.08 0.84 -0.29 0.00 -2.00 0.00 0.00 179.45 178.08 1dt7 h ALA 6 N 1.11 0.51 -0.73 0.07 0.00 -1.43 -2.05 119.26 116.74 1dt7 h ALA 6 Ca -0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1dt7 h ALA 6 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1dt7 h ALA 6 CO 0.11 0.54 0.20 0.52 0.00 0.00 0.00 179.25 180.61 1dt7 h MET 7 N 0.60 1.16 -0.41 0.00 2.86 -1.43 -2.48 114.93 115.24 1dt7 h MET 7 Ca 0.06 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 1dt7 h MET 7 Cb 0.87 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1dt7 h MET 7 CO 0.08 1.00 -0.13 0.28 1.06 0.00 0.00 176.91 179.20 1dt7 h VAL 8 N 1.10 1.26 -0.52 -2.22 2.07 -1.47 -3.02 116.25 113.44 1dt7 h VAL 8 Ca 0.23 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1dt7 h VAL 8 Cb 0.35 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1dt7 h VAL 8 CO -0.00 0.40 -0.03 0.00 0.02 0.00 0.00 177.57 177.96 1dt7 h ALA 9 N 1.18 0.96 -0.99 1.67 0.00 -0.96 -2.27 119.26 118.85 1dt7 h ALA 9 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1dt7 h ALA 9 Cb 0.60 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1dt7 h ALA 9 CO 0.04 0.62 0.66 -0.07 0.00 0.00 0.00 179.25 180.50 1dt7 h LEU 10 N 0.84 1.14 -0.52 0.00 3.38 -1.33 -1.99 115.31 116.83 1dt7 h LEU 10 Ca 0.15 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1dt7 h LEU 10 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1dt7 h LEU 10 CO 0.03 0.82 -0.18 0.40 0.09 0.00 0.00 178.44 179.60 1dt7 h ILE 11 N 1.34 1.27 -0.97 1.22 2.04 -1.49 -2.81 117.51 118.10 1dt7 h ILE 11 Ca 0.36 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1dt7 h ILE 11 Cb -0.16 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1dt7 h ILE 11 CO -0.08 0.47 0.62 0.44 0.00 0.00 0.00 178.15 179.60 1dt7 h ASP 12 N 0.88 1.15 0.27 1.72 3.32 -0.79 -2.29 116.42 120.68 1dt7 h ASP 12 Ca 0.12 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 1dt7 h ASP 12 Cb 0.76 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1dt7 h ASP 12 CO 0.06 0.86 -0.47 0.58 -1.72 0.00 0.00 179.24 178.54 1dt7 h VAL 13 N 1.33 1.34 -0.45 -1.35 2.07 -1.40 -2.40 116.25 115.39 1dt7 h VAL 13 Ca 0.35 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 66.24 1dt7 h VAL 13 Cb -0.10 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1dt7 h VAL 13 CO -0.07 0.50 0.21 0.15 0.02 0.00 0.00 177.57 178.38 1dt7 h PHE 14 N 0.20 0.39 0.00 1.57 3.57 -1.15 -1.51 116.94 120.01 1dt7 h PHE 14 Ca 0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1dt7 h PHE 14 Cb 0.91 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1dt7 h PHE 14 CO 0.02 0.19 -0.17 1.25 -2.23 0.00 0.00 178.31 177.37 1dt7 h HIS 15 N 0.43 0.00 -0.86 0.41 2.76 -1.44 -1.74 115.15 114.71 1dt7 h HIS 15 Ca 0.20 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.45 1dt7 h HIS 15 Cb 0.11 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.00 1dt7 h HIS 15 CO -0.11 0.17 0.51 0.37 -1.30 0.00 0.00 177.93 177.57 1dt7 h GLN 16 N 0.00 0.84 0.00 5.26 5.75 -0.75 -3.17 115.11 123.05 1dt7 h GLN 16 Ca -0.00 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1dt7 h GLN 16 Cb 0.97 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 1dt7 h GLN 16 CO 0.02 0.55 -1.01 2.48 -2.65 0.00 0.00 178.83 178.23 1dt7 n TYR 17 N -4.70 0.00 -0.29 3.99 4.11 -1.22 -4.68 117.16 114.38 1dt7 n TYR 17 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.98 1dt7 n TYR 17 Cb 0.26 -0.01 0.07 0.00 -0.00 0.00 0.00 39.34 39.66 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1dt7 h SER 18 N 0.00 1.11 0.08 9.48 4.64 -1.42 -1.24 113.55 126.20 1dt7 h SER 18 Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1dt7 h SER 18 Cb 0.52 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1dt7 h SER 18 CO 0.00 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1dt7 n GLY 19 N -0.87 -0.70 0.18 -0.77 0.00 -1.20 -3.43 105.19 98.41 1dt7 n GLY 19 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.53 -5.78 1.61 2.43 -1.47 -3.44 114.38 108.25 1dt7 h ARG 20 Ca 0.00 -0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.55 1dt7 h ARG 20 Cb 0.04 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.38 1dt7 h ARG 20 CO 0.00 0.35 -0.49 -1.83 -1.51 0.00 0.00 179.97 176.49 1dt7 s GLU 21 N -6.16 2.19 0.53 0.20 -1.05 -1.22 -5.01 118.70 108.17 1dt7 s GLU 21 Ca -0.13 -1.97 0.27 0.00 -0.15 0.00 0.00 54.97 52.99 1dt7 s GLU 21 Cb 0.11 -1.89 1.41 0.00 -0.44 0.00 0.00 34.13 33.32 1dt7 s GLU 21 CO 0.72 -0.19 1.94 0.78 0.95 0.00 0.00 175.26 179.47 1dt7 h GLY 22 N 1.39 0.06 -4.26 -3.83 0.00 -1.86 -2.92 103.07 91.65 1dt7 h GLY 22 Ca -0.42 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1dt7 h GLY 22 CO 0.71 0.00 0.08 1.22 0.00 0.00 0.00 176.54 178.55 1dt7 n ASP 23 N -4.34 2.30 -0.15 0.19 8.00 -1.26 -4.23 116.55 117.05 1dt7 n ASP 23 Ca 0.14 -1.83 -0.08 0.00 0.71 0.00 0.00 54.79 53.73 1dt7 n ASP 23 Cb 0.76 -0.58 0.06 0.00 -0.02 0.00 0.00 41.12 41.35 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 4.09 0.94 0.00 -1.24 3.64 -1.60 -2.86 116.57 119.54 1dt7 h LYS 24 Ca 0.06 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1dt7 h LYS 24 Cb 0.59 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1dt7 h LYS 24 CO 0.27 0.98 0.00 1.12 -2.27 0.00 0.00 179.45 179.55 1dt7 h HIS 25 N 0.84 0.00 -4.02 1.91 2.07 -1.89 -3.44 115.15 110.63 1dt7 h HIS 25 Ca 0.14 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.51 1dt7 h HIS 25 Cb 0.62 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.41 1dt7 h HIS 25 CO 0.04 0.00 -0.66 -1.59 -3.07 0.00 0.00 177.93 172.65 1dt7 s LYS 26 N -3.17 0.46 -0.36 5.12 -2.85 -1.08 -4.46 119.74 113.41 1dt7 s LYS 26 Ca 0.09 -0.83 -0.09 0.00 -1.00 0.00 0.00 55.97 54.13 1dt7 s LYS 26 Cb 0.11 0.17 0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1dt7 s LYS 26 CO 0.56 -0.09 0.16 -0.51 0.10 0.00 0.00 175.35 175.58 1dt7 s LEU 27 N -2.06 4.56 0.44 2.77 1.43 -0.91 -4.68 118.68 120.24 1dt7 s LEU 27 Ca -0.06 -1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 51.81 1dt7 s LEU 27 Cb -0.02 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1dt7 s LEU 27 CO -0.05 -0.36 0.91 -0.75 0.23 0.00 0.00 176.35 176.33 1dt7 s LYS 28 N 1.49 4.02 0.65 1.70 2.20 -1.26 -1.13 119.74 127.40 1dt7 s LYS 28 Ca 0.00 0.90 0.15 0.00 -0.36 0.00 0.00 55.97 56.66 1dt7 s LYS 28 Cb -0.19 -2.23 0.69 0.00 -1.51 0.00 0.00 37.83 34.59 1dt7 s LYS 28 CO 0.05 -0.10 1.35 1.57 -0.36 0.00 0.00 175.35 177.87 1dt7 h LYS 29 N 1.48 0.00 -0.03 4.03 2.10 -1.90 0.99 116.57 123.24 1dt7 h LYS 29 Ca -0.48 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.12 1dt7 h LYS 29 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1dt7 h LYS 29 CO 0.62 0.00 -0.18 0.66 -2.00 0.00 0.00 179.45 178.55 1dt7 h SER 30 N 0.00 0.21 0.11 7.07 4.64 -1.88 -2.29 113.55 121.40 1dt7 h SER 30 Ca 0.11 -0.69 -0.13 0.00 -0.47 0.00 0.00 61.79 60.61 1dt7 h SER 30 Cb 1.78 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.79 1dt7 h SER 30 CO -0.00 0.86 -0.45 -0.33 -0.87 0.00 0.00 176.83 176.04 1dt7 h GLU 31 N -0.44 0.42 -0.94 4.77 5.08 0.59 -2.75 114.58 121.31 1dt7 h GLU 31 Ca -0.02 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1dt7 h GLU 31 Cb 0.87 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1dt7 h GLU 31 CO 0.04 0.79 0.63 1.25 -1.00 0.00 0.00 179.01 180.71 1dt7 h LEU 32 N 0.34 1.08 -1.04 1.33 5.85 -1.07 -1.41 115.31 120.38 1dt7 h LEU 32 Ca 0.02 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1dt7 h LEU 32 Cb 0.93 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1dt7 h LEU 32 CO 0.08 0.78 0.61 0.50 -0.34 0.00 0.00 178.44 180.07 1dt7 h LYS 33 N 1.28 1.26 -0.86 1.25 3.64 -1.11 -2.06 116.57 119.96 1dt7 h LYS 33 Ca 0.35 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1dt7 h LYS 33 Cb -0.14 -0.28 -0.04 0.00 -0.41 0.00 0.00 32.23 31.36 1dt7 h LYS 33 CO -0.08 0.85 0.44 0.93 -2.27 0.00 0.00 179.45 179.31 1dt7 h GLU 34 N 1.29 1.23 0.00 1.90 5.08 -1.16 1.03 114.58 123.94 1dt7 h GLU 34 Ca 0.35 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1dt7 h GLU 34 Cb -0.13 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.90 1dt7 h GLU 34 CO -0.07 0.92 -0.00 1.25 -1.00 0.00 0.00 179.01 180.11 1dt7 h LEU 35 N 1.22 -0.00 -0.03 1.33 7.12 -0.94 -0.15 115.31 123.86 1dt7 h LEU 35 Ca 0.30 -0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.23 1dt7 h LEU 35 Cb 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1dt7 h LEU 35 CO -0.04 0.00 -0.27 0.40 -0.13 0.00 0.00 178.44 178.40 1dt7 h ILE 36 N -0.01 1.49 0.11 4.05 2.04 -0.91 -2.62 117.51 121.67 1dt7 h ILE 36 Ca -0.00 -1.82 -0.21 0.00 1.00 0.00 0.00 64.86 63.83 1dt7 h ILE 36 Cb 0.00 2.56 0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1dt7 h ILE 36 CO 0.00 0.51 -0.90 -1.13 0.00 0.00 0.00 178.15 176.62 1dt7 h ASN 37 N -0.36 0.60 0.16 1.72 -0.73 0.11 -3.28 115.58 113.79 1dt7 h ASN 37 Ca -0.03 -0.88 -0.35 0.00 1.87 0.00 0.00 56.30 56.92 1dt7 h ASN 37 Cb 0.97 -0.19 -0.06 0.00 0.27 0.00 0.00 38.32 39.31 1dt7 h ASN 37 CO 0.05 1.42 -2.16 0.59 -0.37 0.00 0.00 177.43 176.97 1dt7 n ASN 38 N -4.05 0.85 0.02 1.15 5.03 -0.17 -4.35 115.26 113.74 1dt7 n ASN 38 Ca -0.13 0.12 0.13 0.00 0.87 0.00 0.00 54.58 55.57 1dt7 n ASN 38 Cb 0.84 0.22 0.36 0.00 -1.02 0.00 0.00 39.78 40.18 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 -3.01 0.06 -2.51 3.52 4.07 -0.61 -4.03 120.64 118.12 1dt7 n GLU 39 Ca -0.30 0.03 -0.31 0.00 -0.06 0.00 0.00 57.16 56.51 1dt7 n GLU 39 Cb 1.09 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.92 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1dt7 n LEU 40 N -1.64 5.58 -4.55 4.31 4.77 -1.18 -4.94 117.00 119.35 1dt7 n LEU 40 Ca 0.06 -5.29 -0.37 0.00 -0.03 0.00 0.00 56.01 50.38 1dt7 n LEU 40 Cb 0.36 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 1dt7 n LEU 40 CO 0.32 2.15 2.04 -1.54 -1.33 0.00 0.00 177.39 179.03 1dt7 n SER 41 N -0.38 2.17 0.00 -1.43 3.41 -1.26 -2.52 113.62 113.61 1dt7 n SER 41 Ca 0.41 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1dt7 n SER 41 Cb 0.45 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1dt7 n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dt7 n HIS 42 N 15.19 0.00 -0.08 7.33 8.25 -1.26 -4.67 115.22 139.99 1dt7 n HIS 42 Ca 0.40 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.74 1dt7 n HIS 42 Cb 0.49 -1.17 0.02 0.00 1.12 0.00 0.00 29.99 30.45 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1dt7 h PHE 43 N 0.00 0.97 -0.24 4.41 3.57 -1.85 -3.46 116.94 120.33 1dt7 h PHE 43 Ca 0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1dt7 h PHE 43 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1dt7 h PHE 43 CO 0.00 1.08 0.00 -0.11 -2.23 0.00 0.00 178.31 177.05 1dt7 n LEU 44 N -4.04 0.00 -4.46 0.59 7.94 -1.24 -5.08 117.00 110.71 1dt7 n LEU 44 Ca -0.02 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.44 1dt7 n LEU 44 Cb 0.55 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.43 1dt7 n LEU 44 CO 0.48 0.00 0.33 -0.70 -1.11 0.00 0.00 177.39 176.38 1dt7 s GLU 45 N 3.61 3.15 0.26 1.96 2.12 -1.26 -4.99 118.70 123.55 1dt7 s GLU 45 Ca 0.00 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 1dt7 s GLU 45 Cb 0.00 -4.06 -0.10 0.00 0.26 0.00 0.00 34.13 30.23 1dt7 s GLU 45 CO 0.00 -1.16 1.31 -2.00 -0.54 0.00 0.00 175.26 172.88 1dt7 s GLU 46 N 2.63 4.38 -0.05 4.30 2.12 -1.26 -4.88 118.70 125.94 1dt7 s GLU 46 Ca 0.16 2.13 -0.16 0.00 0.36 0.00 0.00 54.97 57.46 1dt7 s GLU 46 Cb -0.18 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 1dt7 s GLU 46 CO 0.13 -0.22 0.43 0.42 -0.54 0.00 0.00 175.26 175.48 1dt7 s ILE 47 N -0.42 5.10 -0.04 -3.70 1.01 -1.26 -4.96 121.20 116.91 1dt7 s ILE 47 Ca 0.54 0.87 0.11 0.00 0.00 0.00 0.00 60.65 62.16 1dt7 s ILE 47 Cb -0.38 -3.75 -0.16 0.00 0.01 0.00 0.00 42.46 38.18 1dt7 s ILE 47 CO 0.44 0.47 0.18 0.29 0.00 0.00 0.00 174.94 176.32 1dt7 n LYS 48 N 2.63 0.96 -5.22 2.79 4.01 -1.26 -4.79 118.16 117.28 1dt7 n LYS 48 Ca -0.11 -0.07 -0.31 0.00 -0.51 0.00 0.00 58.31 57.31 1dt7 n LYS 48 Cb 0.52 -1.27 -0.16 0.00 -0.51 0.00 0.00 35.03 33.61 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 -2.62 2.30 0.57 1.97 2.56 -1.26 -5.01 118.70 117.21 1dt7 s GLU 49 Ca -0.05 -0.88 0.28 0.00 0.00 0.00 0.00 54.97 54.33 1dt7 s GLU 49 Cb 0.06 -2.04 1.70 0.00 2.00 0.00 0.00 34.13 35.86 1dt7 s GLU 49 CO 0.46 0.42 2.22 0.37 -0.56 0.00 0.00 175.26 178.17 1dt7 h GLN 50 N 5.89 0.00 -0.72 4.30 5.75 -2.01 -2.52 115.11 125.80 1dt7 h GLN 50 Ca -0.35 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1dt7 h GLN 50 Cb 1.16 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 1dt7 h GLN 50 CO 0.47 0.02 0.48 1.05 -2.65 0.00 0.00 178.83 178.20 1dt7 h GLU 51 N 0.00 0.94 -1.00 1.69 4.11 -2.00 -0.88 114.58 117.44 1dt7 h GLU 51 Ca -0.00 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1dt7 h GLU 51 Cb 0.05 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1dt7 h GLU 51 CO 0.00 0.62 0.65 0.28 0.07 0.00 0.00 179.01 180.64 1dt7 h VAL 52 N 0.97 1.26 -0.25 -1.06 2.07 -1.88 -1.08 116.25 116.27 1dt7 h VAL 52 Ca 0.26 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1dt7 h VAL 52 Cb -0.11 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.45 1dt7 h VAL 52 CO -0.06 0.25 -0.14 0.58 0.02 0.00 0.00 177.57 178.22 1dt7 h VAL 53 N 1.35 1.23 -0.48 2.57 2.07 -1.31 -1.66 116.25 120.02 1dt7 h VAL 53 Ca 0.36 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1dt7 h VAL 53 Cb -0.14 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1dt7 h VAL 53 CO -0.08 0.32 -0.12 0.44 0.02 0.00 0.00 177.57 178.16 1dt7 h ASP 54 N 0.40 0.88 -0.34 0.57 3.32 -0.47 0.57 116.42 121.35 1dt7 h ASP 54 Ca 0.07 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.68 1dt7 h ASP 54 Cb 0.49 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1dt7 h ASP 54 CO 0.03 1.01 -0.42 0.50 -1.72 0.00 0.00 179.24 178.64 1dt7 h LYS 55 N 0.79 0.90 -0.04 3.56 3.64 -1.08 -2.41 116.57 121.93 1dt7 h LYS 55 Ca 0.13 -0.49 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1dt7 h LYS 55 Cb 0.64 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1dt7 h LYS 55 CO 0.04 1.14 -0.32 0.28 -2.27 0.00 0.00 179.45 178.32 1dt7 h VAL 56 N 0.73 1.24 -0.55 2.00 2.07 -1.06 -1.64 116.25 119.04 1dt7 h VAL 56 Ca 0.05 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1dt7 h VAL 56 Cb 1.01 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1dt7 h VAL 56 CO 0.10 0.34 0.15 0.24 0.02 0.00 0.00 177.57 178.41 1dt7 h MET 57 N 0.06 0.83 -1.01 1.57 2.86 -0.41 0.26 114.93 119.10 1dt7 h MET 57 Ca 0.01 -0.16 0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1dt7 h MET 57 Cb 0.60 -0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.05 1dt7 h MET 57 CO 0.04 0.73 0.64 1.49 1.06 0.00 0.00 176.91 180.88 1dt7 h GLU 58 N 0.80 1.04 0.16 1.72 4.81 -0.93 3.09 114.58 125.26 1dt7 h GLU 58 Ca 0.18 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.11 1dt7 h GLU 58 Cb 0.27 -0.23 0.03 0.00 0.63 0.00 0.00 28.75 29.44 1dt7 h GLU 58 CO -0.00 0.69 -1.01 1.15 -0.73 0.00 0.00 179.01 179.11 1dt7 h THR 59 N 1.07 1.42 0.00 0.32 2.02 -1.22 -3.35 112.91 113.18 1dt7 h THR 59 Ca 0.47 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1dt7 h THR 59 Cb 0.36 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1dt7 h THR 59 CO -0.23 0.73 -0.70 -0.07 0.37 0.00 0.00 175.52 175.62 1dt7 h LEU 60 N -0.15 0.00 -4.90 2.58 3.38 -0.04 -3.37 115.31 112.81 1dt7 h LEU 60 Ca -0.17 -0.14 -0.61 0.00 0.09 0.00 0.00 57.88 57.05 1dt7 h LEU 60 Cb 1.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.53 1dt7 h LEU 60 CO 0.19 0.07 3.20 -0.67 0.09 0.00 0.00 178.44 181.32 1dt7 n ASP 61 N -2.33 8.26 -0.28 -0.43 -0.08 1.02 -4.51 116.55 118.21 1dt7 n ASP 61 Ca 0.02 -2.60 -0.00 0.00 -1.51 0.00 0.00 54.79 50.70 1dt7 n ASP 61 Cb 0.48 -1.53 0.19 0.00 2.34 0.00 0.00 41.12 42.60 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 4.70 1.12 0.00 -0.67 5.08 -1.80 0.32 114.58 123.33 1dt7 h GLU 62 Ca 0.78 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1dt7 h GLU 62 Cb 0.45 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1dt7 h GLU 62 CO 1.56 0.74 0.00 -0.25 -1.00 0.00 0.00 179.01 180.06 1dt7 n ASP 63 N -4.40 0.17 -2.28 1.42 9.92 -1.26 -4.86 116.55 115.25 1dt7 n ASP 63 Ca 0.10 0.53 -0.21 0.00 -0.53 0.00 0.00 54.79 54.68 1dt7 n ASP 63 Cb 0.02 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 39.91 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dt7 n GLY 64 N 0.51 -0.20 0.75 0.44 0.00 0.11 -4.84 105.19 101.96 1dt7 n GLY 64 Ca 0.04 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.91 2.78 0.00 1.61 5.75 -1.26 -4.92 116.55 118.60 1dt7 n ASP 65 Ca -0.24 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1dt7 n ASP 65 Cb 0.69 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.89 0.81 2.88 6.12 0.00 -1.26 -4.98 105.19 109.66 1dt7 n GLY 66 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.08 0.54 -0.18 1.61 2.02 -1.26 -2.73 118.70 118.62 1dt7 s GLU 67 Ca 0.00 -0.06 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 1dt7 s GLU 67 Cb 0.00 -0.60 -0.05 0.00 0.10 0.00 0.00 34.13 33.58 1dt7 s GLU 67 CO 0.00 -0.05 0.22 0.00 0.02 0.00 0.00 175.26 175.44 1dt7 s ASP 69 N 0.38 3.45 0.32 0.00 1.01 -1.26 -2.13 116.67 118.43 1dt7 s ASP 69 Ca 0.13 1.50 0.09 0.00 0.71 0.00 0.00 52.55 54.98 1dt7 s ASP 69 Cb -0.12 -2.18 0.85 0.00 1.01 0.00 0.00 42.92 42.48 1dt7 s ASP 69 CO 0.01 -2.65 1.74 0.15 0.21 0.00 0.00 175.17 174.63 1dt7 h PHE 70 N -1.56 1.03 -0.28 4.23 3.57 -1.95 0.21 116.94 122.19 1dt7 h PHE 70 Ca -0.49 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1dt7 h PHE 70 Cb 1.28 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1dt7 h PHE 70 CO 0.43 0.11 0.15 0.37 -2.23 0.00 0.00 178.31 177.13 1dt7 h GLN 71 N 0.63 0.40 -0.99 1.11 4.15 -1.96 -1.85 115.11 116.58 1dt7 h GLN 71 Ca 0.63 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 60.01 1dt7 h GLN 71 Cb 1.15 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 1dt7 h GLN 71 CO -0.45 0.36 0.66 0.93 -1.93 0.00 0.00 178.83 178.39 1dt7 h GLU 72 N 0.33 1.31 -0.33 1.69 5.08 -0.93 -1.80 114.58 119.93 1dt7 h GLU 72 Ca 0.10 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1dt7 h GLU 72 Cb 0.08 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1dt7 h GLU 72 CO -0.01 0.86 -0.26 0.35 -1.00 0.00 0.00 179.01 178.95 1dt7 h PHE 73 N 1.34 0.75 -0.97 4.33 3.57 -1.13 -2.98 116.94 121.86 1dt7 h PHE 73 Ca 0.36 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1dt7 h PHE 73 Cb -0.15 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.36 1dt7 h PHE 73 CO -0.00 0.85 0.64 0.52 -2.23 0.00 0.00 178.31 178.09 1dt7 h MET 74 N 0.57 1.28 -0.12 1.11 2.86 -0.48 -2.34 114.93 117.81 1dt7 h MET 74 Ca 0.08 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1dt7 h MET 74 Cb 0.74 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1dt7 h MET 74 CO 0.06 0.85 -0.35 0.00 1.06 0.00 0.00 176.91 178.53 1dt7 h ALA 75 N 1.39 1.20 -0.76 6.32 0.00 -1.30 -2.84 119.26 123.27 1dt7 h ALA 75 Ca 0.35 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1dt7 h ALA 75 Cb -0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1dt7 h ALA 75 CO -0.08 0.54 0.41 0.35 0.00 0.00 0.00 179.25 180.48 1dt7 h PHE 76 N 0.21 1.03 -0.78 0.00 3.57 -1.40 -2.27 116.94 117.31 1dt7 h PHE 76 Ca 0.03 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dt7 h PHE 76 Cb 0.72 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1dt7 h PHE 76 CO 0.01 0.72 0.47 0.28 -2.23 0.00 0.00 178.31 177.56 1dt7 h VAL 77 N 1.06 1.21 -0.88 1.41 2.07 -1.43 -1.94 116.25 117.75 1dt7 h VAL 77 Ca 0.27 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1dt7 h VAL 77 Cb 0.03 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1dt7 h VAL 77 CO -0.04 0.22 0.45 0.77 0.02 0.00 0.00 177.57 178.99 1dt7 h SER 78 N 1.07 1.13 -0.13 0.57 4.64 -1.41 -1.94 113.55 117.47 1dt7 h SER 78 Ca 0.28 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1dt7 h SER 78 Cb -0.05 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 61.75 1dt7 h SER 78 CO -0.05 0.93 -0.15 0.24 -0.87 0.00 0.00 176.83 176.93 1dt7 h MET 79 N 1.25 0.32 -0.68 4.77 2.07 -1.33 -3.03 114.93 118.29 1dt7 h MET 79 Ca 0.31 -0.18 -0.03 0.00 -2.07 0.00 0.00 59.70 57.73 1dt7 h MET 79 Cb 0.08 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.78 1dt7 h MET 79 CO -0.04 0.73 0.30 0.28 1.07 0.00 0.00 176.91 179.25 1dt7 h VAL 80 N -0.07 1.23 -1.00 -2.22 2.07 -1.26 -2.10 116.25 112.89 1dt7 h VAL 80 Ca 0.02 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1dt7 h VAL 80 Cb 0.68 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1dt7 h VAL 80 CO 0.04 0.28 0.66 0.74 0.02 0.00 0.00 177.57 179.31 1dt7 h THR 81 N 0.98 1.26 -0.99 2.57 2.02 -1.36 -0.75 112.91 116.63 1dt7 h THR 81 Ca 0.23 -0.47 0.17 0.00 0.77 0.00 0.00 66.41 67.11 1dt7 h THR 81 Cb 0.14 -0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 66.24 1dt7 h THR 81 CO -0.03 0.25 0.62 0.74 0.37 0.00 0.00 175.52 177.47 1dt7 h THR 82 N 1.36 0.77 -0.99 3.16 2.02 -1.25 0.58 112.91 118.57 1dt7 h THR 82 Ca 0.37 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1dt7 h THR 82 Cb -0.15 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.11 1dt7 h THR 82 CO -0.08 0.15 0.65 0.00 0.37 0.00 0.00 175.52 176.61 1dt7 h ALA 83 N 1.61 1.30 -0.33 6.16 0.00 -1.10 -1.13 119.26 125.76 1dt7 h ALA 83 Ca 0.54 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1dt7 h ALA 83 Cb 0.80 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1dt7 h ALA 83 CO -0.32 0.65 0.22 0.00 0.00 0.00 0.00 179.25 179.80 1dt7 h HIS 85 N 0.43 1.26 -0.77 0.00 6.17 -0.66 2.54 115.15 124.11 1dt7 h HIS 85 Ca 0.13 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.23 1dt7 h HIS 85 Cb -0.01 -0.43 -0.04 0.00 2.52 0.00 0.00 27.41 29.46 1dt7 h HIS 85 CO -0.00 0.79 0.48 0.93 0.71 0.00 0.00 177.93 180.84 1dt7 h GLU 86 N 1.36 1.04 0.00 5.26 5.08 -1.21 -2.49 114.58 123.62 1dt7 h GLU 86 Ca 0.37 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1dt7 h GLU 86 Cb -0.16 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.86 1dt7 h GLU 86 CO -0.08 0.72 -1.46 0.34 -1.00 0.00 0.00 179.01 177.53 1dt7 n PHE 87 N -4.39 0.61 0.99 4.33 7.35 -0.46 -4.07 117.46 121.82 1dt7 n PHE 87 Ca 0.08 0.18 0.14 0.00 -0.76 0.00 0.00 57.45 57.10 1dt7 n PHE 87 Cb 0.06 -0.84 0.61 0.00 0.35 0.00 0.00 39.48 39.66 1dt7 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1dt7 n PHE 88 N -2.58 0.02 -2.49 -5.13 -0.00 0.84 -4.55 117.46 103.57 1dt7 n PHE 88 Ca -0.05 0.01 -0.39 0.00 -0.00 0.00 0.00 57.45 57.02 1dt7 n PHE 88 Cb 0.63 -0.51 -0.03 0.00 -0.00 0.00 0.00 39.48 39.58 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1dt7 s GLU 89 N -3.00 3.50 0.24 -4.13 -1.05 -0.96 -4.77 118.70 108.52 1dt7 s GLU 89 Ca 0.14 -1.15 -0.07 0.00 -0.15 0.00 0.00 54.97 53.74 1dt7 s GLU 89 Cb 0.19 -5.35 0.22 0.00 -0.44 0.00 0.00 34.13 28.75 1dt7 s GLU 89 CO 0.53 -2.40 1.88 0.45 0.95 0.00 0.00 175.26 176.67 1dt7 h HIS 90 N 9.64 1.25 0.00 4.83 3.86 -1.92 -3.51 115.15 129.30 1dt7 h HIS 90 Ca 0.23 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1dt7 h HIS 90 Cb 0.99 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1dt7 h HIS 90 CO 1.29 0.84 0.00 -0.85 0.86 0.00 0.00 177.93 180.08