#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 -5.39 -0.11 7.83 2.88 -1.26 -4.79 113.62 112.79 1dt7 n SER 1 Ca 0.00 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1dt7 n SER 1 Cb 0.00 -4.53 0.00 0.00 -0.75 0.00 0.00 64.21 58.93 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1dt7 n GLU 2 N -2.90 0.81 0.02 -1.46 0.28 -1.26 -3.84 120.64 112.29 1dt7 n GLU 2 Ca -0.22 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 56.82 1dt7 n GLU 2 Cb 0.67 -1.09 0.44 0.00 1.43 0.00 0.00 31.44 32.89 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 0.04 0.43 -1.00 -1.84 6.46 -2.01 -2.34 115.31 115.05 1dt7 h LEU 3 Ca 0.00 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1dt7 h LEU 3 Cb 0.09 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 1dt7 h LEU 3 CO 0.00 0.31 0.66 -0.33 -0.62 0.00 0.00 178.44 178.46 1dt7 h GLU 4 N 0.50 1.32 -0.48 1.25 5.08 -1.98 -1.98 114.58 118.28 1dt7 h GLU 4 Ca 0.14 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1dt7 h GLU 4 Cb -0.06 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 1dt7 h GLU 4 CO -0.03 0.88 -0.20 0.87 -1.00 0.00 0.00 179.01 179.53 1dt7 h LYS 5 N 1.36 0.98 -0.60 2.33 1.57 -1.73 -2.83 116.57 117.65 1dt7 h LYS 5 Ca 0.37 -0.41 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1dt7 h LYS 5 Cb -0.15 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1dt7 h LYS 5 CO -0.08 1.08 -0.02 0.00 -0.57 0.00 0.00 179.45 179.86 1dt7 h ALA 6 N 0.91 0.81 -0.69 3.86 0.00 -1.29 -2.05 119.26 120.81 1dt7 h ALA 6 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1dt7 h ALA 6 Cb 0.77 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1dt7 h ALA 6 CO 0.06 0.67 0.13 0.52 0.00 0.00 0.00 179.25 180.63 1dt7 h MET 7 N 0.97 1.13 -0.33 0.00 2.86 -1.32 -2.43 114.93 115.82 1dt7 h MET 7 Ca 0.17 -0.29 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 1dt7 h MET 7 Cb 0.59 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1dt7 h MET 7 CO 0.03 1.02 -0.33 0.28 1.06 0.00 0.00 176.91 178.98 1dt7 h VAL 8 N 1.06 1.28 -0.40 -2.22 2.07 -1.38 -3.18 116.25 113.49 1dt7 h VAL 8 Ca 0.21 -1.47 -0.16 0.00 0.82 0.00 0.00 66.70 66.10 1dt7 h VAL 8 Cb 0.43 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1dt7 h VAL 8 CO 0.01 0.48 -0.37 0.00 0.02 0.00 0.00 177.57 177.71 1dt7 h ALA 9 N 1.03 0.58 -1.00 1.67 0.00 -1.15 -2.63 119.26 117.76 1dt7 h ALA 9 Ca 0.07 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1dt7 h ALA 9 Cb 0.85 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1dt7 h ALA 9 CO 0.07 0.68 0.67 -0.07 0.00 0.00 0.00 179.25 180.60 1dt7 h LEU 10 N 0.78 1.15 -0.72 0.00 3.38 -1.44 -1.71 115.31 116.75 1dt7 h LEU 10 Ca 0.07 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1dt7 h LEU 10 Cb 0.96 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1dt7 h LEU 10 CO 0.09 0.83 0.17 0.40 0.09 0.00 0.00 178.44 180.03 1dt7 h ILE 11 N 1.36 1.26 -0.78 1.22 2.04 -1.51 -2.44 117.51 118.66 1dt7 h ILE 11 Ca 0.37 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1dt7 h ILE 11 Cb -0.16 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1dt7 h ILE 11 CO -0.08 0.38 0.29 0.44 0.00 0.00 0.00 178.15 179.18 1dt7 h ASP 12 N 1.09 1.10 0.19 1.72 3.32 -0.95 -2.88 116.42 120.01 1dt7 h ASP 12 Ca 0.23 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1dt7 h ASP 12 Cb 0.37 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1dt7 h ASP 12 CO 0.00 0.99 -0.56 0.58 -1.72 0.00 0.00 179.24 178.53 1dt7 h VAL 13 N 1.15 1.35 -1.01 -1.35 2.07 -1.30 -1.85 116.25 115.31 1dt7 h VAL 13 Ca 0.26 -1.86 0.01 0.00 0.82 0.00 0.00 66.70 65.93 1dt7 h VAL 13 Cb 0.25 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1dt7 h VAL 13 CO -0.02 0.56 0.67 0.15 0.02 0.00 0.00 177.57 178.95 1dt7 h PHE 14 N 0.30 1.27 0.00 1.57 3.57 -1.23 -0.91 116.94 121.51 1dt7 h PHE 14 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1dt7 h PHE 14 Cb 1.08 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1dt7 h PHE 14 CO 0.03 0.80 -0.19 1.25 -2.23 0.00 0.00 178.31 177.97 1dt7 h HIS 15 N 1.37 0.00 -0.62 0.41 2.76 -1.39 -1.98 115.15 115.70 1dt7 h HIS 15 Ca 0.37 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.64 1dt7 h HIS 15 Cb -0.16 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 28.73 1dt7 h HIS 15 CO -0.00 0.19 0.21 0.37 -1.30 0.00 0.00 177.93 177.40 1dt7 h GLN 16 N 0.00 0.36 0.00 5.26 5.75 -0.29 -3.18 115.11 123.01 1dt7 h GLN 16 Ca -0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1dt7 h GLN 16 Cb 1.04 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1dt7 h GLN 16 CO 0.02 0.24 -1.23 2.48 -2.65 0.00 0.00 178.83 177.69 1dt7 n TYR 17 N -5.03 0.00 -0.07 3.99 4.11 -1.23 -4.71 117.16 114.22 1dt7 n TYR 17 Ca 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.89 1dt7 n TYR 17 Cb 0.30 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.34 39.46 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 1dt7 h SER 18 N 0.00 0.32 0.00 9.48 0.02 -1.44 -2.30 113.55 119.63 1dt7 h SER 18 Ca -0.05 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1dt7 h SER 18 Cb 0.73 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1dt7 h SER 18 CO 0.00 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 1dt7 n GLY 19 N -0.80 0.92 0.29 -3.77 0.00 -1.20 -3.74 105.19 96.90 1dt7 n GLY 19 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1dt7 n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1dt7 h ARG 20 N 0.16 0.98 0.00 1.61 0.11 -1.67 -3.35 114.38 112.23 1dt7 h ARG 20 Ca 0.00 -0.06 -0.14 0.00 0.10 0.00 0.00 59.98 59.87 1dt7 h ARG 20 Cb 0.35 -0.22 -0.03 0.00 1.11 0.00 0.00 29.97 31.18 1dt7 h ARG 20 CO 0.00 0.65 -1.55 0.39 0.10 0.00 0.00 179.97 179.57 1dt7 n GLU 21 N -4.56 0.56 0.00 0.08 1.02 -1.26 -5.02 120.64 111.46 1dt7 n GLU 21 Ca 0.07 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1dt7 n GLU 21 Cb 0.02 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dt7 n GLY 22 N 2.98 -0.00 2.30 0.62 0.00 -1.26 -5.00 105.19 104.82 1dt7 n GLY 22 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 3.59 -0.20 1.61 8.00 -1.25 -4.37 116.55 123.94 1dt7 n ASP 23 Ca 0.00 -2.14 -0.10 0.00 0.71 0.00 0.00 54.79 53.26 1dt7 n ASP 23 Cb 0.00 -0.91 0.02 0.00 -0.02 0.00 0.00 41.12 40.21 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 4.69 1.06 -0.01 -1.24 3.64 -1.93 -2.95 116.57 119.84 1dt7 h LYS 24 Ca 0.21 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1dt7 h LYS 24 Cb 0.73 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1dt7 h LYS 24 CO 0.60 1.07 -0.20 -2.39 -2.27 0.00 0.00 179.45 176.27 1dt7 n HIS 25 N -4.15 0.00 -3.77 1.91 1.44 -1.26 -4.88 115.22 104.51 1dt7 n HIS 25 Ca 0.02 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.60 1dt7 n HIS 25 Cb 0.39 -0.15 -0.09 0.00 0.12 0.00 0.00 29.99 30.26 1dt7 n HIS 25 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1dt7 s LYS 26 N -2.50 0.66 -0.15 -1.40 -2.85 -1.11 -4.21 119.74 108.19 1dt7 s LYS 26 Ca 0.26 -0.23 -0.01 0.00 -1.00 0.00 0.00 55.97 54.99 1dt7 s LYS 26 Cb 0.19 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 1dt7 s LYS 26 CO 0.50 -0.18 -0.11 -1.17 0.10 0.00 0.00 175.35 174.49 1dt7 s LEU 27 N -1.38 2.77 0.15 2.77 2.96 -0.77 -4.53 118.68 120.65 1dt7 s LEU 27 Ca -0.13 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1dt7 s LEU 27 Cb -0.05 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.94 1dt7 s LEU 27 CO 0.04 0.14 0.39 -0.54 -1.32 0.00 0.00 176.35 175.06 1dt7 s LYS 28 N 0.52 3.64 0.65 1.98 1.02 -1.26 -0.66 119.74 125.63 1dt7 s LYS 28 Ca -0.08 -0.05 0.22 0.00 0.02 0.00 0.00 55.97 56.08 1dt7 s LYS 28 Cb -0.15 -2.84 1.12 0.00 -0.52 0.00 0.00 37.83 35.44 1dt7 s LYS 28 CO 0.04 0.46 1.62 1.57 -0.92 0.00 0.00 175.35 178.12 1dt7 h LYS 29 N 2.83 0.00 0.17 1.68 2.10 -1.93 0.36 116.57 121.78 1dt7 h LYS 29 Ca -0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 1dt7 h LYS 29 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1dt7 h LYS 29 CO 0.72 0.00 -0.08 1.03 -2.00 0.00 0.00 179.45 179.12 1dt7 h SER 30 N 0.00 -0.19 0.01 7.07 0.87 -1.91 -2.25 113.55 117.14 1dt7 h SER 30 Ca 0.08 -0.34 -0.05 0.00 -1.23 0.00 0.00 61.79 60.25 1dt7 h SER 30 Cb 1.31 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1dt7 h SER 30 CO -0.00 0.31 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.14 1dt7 h GLU 31 N -0.78 0.28 -0.99 2.24 5.08 -0.75 -1.95 114.58 117.71 1dt7 h GLU 31 Ca -0.02 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dt7 h GLU 31 Cb 0.52 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1dt7 h GLU 31 CO 0.04 0.42 0.66 1.25 -1.00 0.00 0.00 179.01 180.38 1dt7 h LEU 32 N 0.26 1.14 -0.84 1.33 5.85 -1.01 -1.69 115.31 120.35 1dt7 h LEU 32 Ca 0.05 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1dt7 h LEU 32 Cb 0.41 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1dt7 h LEU 32 CO 0.02 0.83 0.39 0.50 -0.34 0.00 0.00 178.44 179.85 1dt7 h LYS 33 N 1.35 1.22 -0.85 1.25 1.63 -0.73 -2.25 116.57 118.19 1dt7 h LYS 33 Ca 0.36 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1dt7 h LYS 33 Cb -0.15 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.22 1dt7 h LYS 33 CO -0.08 0.95 0.40 1.49 -3.45 0.00 0.00 179.45 178.76 1dt7 h GLU 34 N 1.21 1.22 -0.23 1.90 4.81 -1.13 0.33 114.58 122.70 1dt7 h GLU 34 Ca 0.29 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1dt7 h GLU 34 Cb 0.14 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1dt7 h GLU 34 CO -0.03 0.94 -0.15 1.25 -0.73 0.00 0.00 179.01 180.29 1dt7 h LEU 35 N 1.21 0.53 -0.23 1.64 6.46 -1.21 -0.95 115.31 122.77 1dt7 h LEU 35 Ca 0.29 -0.44 -0.18 0.00 -0.12 0.00 0.00 57.88 57.44 1dt7 h LEU 35 Cb 0.13 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1dt7 h LEU 35 CO -0.04 0.85 -0.55 0.40 -0.62 0.00 0.00 178.44 178.49 1dt7 h ILE 36 N 0.21 1.29 0.03 4.05 2.04 -1.12 0.86 117.51 124.87 1dt7 h ILE 36 Ca 0.05 -1.75 -0.25 0.00 1.00 0.00 0.00 64.86 63.90 1dt7 h ILE 36 Cb 0.67 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1dt7 h ILE 36 CO 0.04 0.56 -1.27 -1.13 0.00 0.00 0.00 178.15 176.35 1dt7 h ASN 37 N 0.51 0.09 0.00 1.72 -0.73 -0.41 -3.18 115.58 113.59 1dt7 h ASN 37 Ca -0.00 -0.11 -0.39 0.00 1.87 0.00 0.00 56.30 57.66 1dt7 h ASN 37 Cb 1.16 -0.03 -0.07 0.00 0.27 0.00 0.00 38.32 39.66 1dt7 h ASN 37 CO 0.12 1.09 -2.47 -3.20 -0.37 0.00 0.00 177.43 172.60 1dt7 n ASN 38 N -3.30 1.84 0.08 1.15 4.05 -0.37 -4.19 115.26 114.51 1dt7 n ASN 38 Ca -0.07 -0.13 0.07 0.00 0.45 0.00 0.00 54.58 54.90 1dt7 n ASN 38 Cb 0.99 -0.31 -0.03 0.00 1.23 0.00 0.00 39.78 41.65 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1dt7 n GLU 39 N -3.23 0.61 -2.20 1.20 2.13 0.22 -4.16 120.64 115.22 1dt7 n GLU 39 Ca -0.45 0.17 -0.30 0.00 0.66 0.00 0.00 57.16 57.24 1dt7 n GLU 39 Cb 1.00 -1.82 0.02 0.00 0.27 0.00 0.00 31.44 30.91 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 -2.76 5.54 -0.22 4.31 4.77 -0.73 -4.77 117.00 123.14 1dt7 n LEU 40 Ca -0.04 -4.99 -0.08 0.00 -0.03 0.00 0.00 56.01 50.87 1dt7 n LEU 40 Cb 0.67 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1dt7 n LEU 40 CO 0.41 2.06 0.91 -1.28 -1.33 0.00 0.00 177.39 178.17 1dt7 h SER 41 N 2.55 0.95 0.00 -1.43 0.87 -1.72 -3.30 113.55 111.47 1dt7 h SER 41 Ca 0.39 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1dt7 h SER 41 Cb 0.84 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1dt7 h SER 41 CO 1.01 0.95 -0.10 0.00 -0.53 0.00 0.00 176.83 178.16 1dt7 n HIS 42 N -4.32 0.00 -0.06 2.24 1.44 -1.26 -4.47 115.22 108.79 1dt7 n HIS 42 Ca 0.04 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.64 1dt7 n HIS 42 Cb 0.25 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.39 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1dt7 h PHE 43 N 0.00 0.92 -0.22 -1.40 3.57 -1.86 -3.47 116.94 114.48 1dt7 h PHE 43 Ca 0.00 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1dt7 h PHE 43 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1dt7 h PHE 43 CO 0.00 1.06 0.00 -0.11 -2.23 0.00 0.00 178.31 177.03 1dt7 n LEU 44 N -4.03 0.00 -4.48 0.59 7.94 -1.26 -5.09 117.00 110.68 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 44.44 1dt7 n LEU 44 CO 0.47 0.00 0.36 -0.70 -1.11 0.00 0.00 177.39 176.41 1dt7 s GLU 45 N 3.62 3.19 0.21 1.96 2.12 -1.26 -4.88 118.70 123.65 1dt7 s GLU 45 Ca 0.00 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 1dt7 s GLU 45 Cb 0.00 -4.03 -0.09 0.00 0.26 0.00 0.00 34.13 30.27 1dt7 s GLU 45 CO 0.00 -1.13 1.40 -2.00 -0.54 0.00 0.00 175.26 172.99 1dt7 s GLU 46 N 2.74 4.31 0.07 4.30 2.12 -1.24 -4.94 118.70 126.06 1dt7 s GLU 46 Ca 0.18 2.19 -0.19 0.00 0.36 0.00 0.00 54.97 57.51 1dt7 s GLU 46 Cb -0.17 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 1dt7 s GLU 46 CO 0.15 -0.38 0.56 0.42 -0.54 0.00 0.00 175.26 175.47 1dt7 s ILE 47 N 0.30 4.75 -0.05 -3.70 1.01 -1.26 -4.96 121.20 117.28 1dt7 s ILE 47 Ca 0.60 1.20 0.10 0.00 0.00 0.00 0.00 60.65 62.55 1dt7 s ILE 47 Cb -0.39 -3.89 -0.14 0.00 0.01 0.00 0.00 42.46 38.04 1dt7 s ILE 47 CO 0.38 0.55 0.14 0.29 0.00 0.00 0.00 174.94 176.31 1dt7 n LYS 48 N 1.75 1.27 -4.77 2.79 4.01 -1.26 -4.78 118.16 117.16 1dt7 n LYS 48 Ca -0.10 -0.05 -0.30 0.00 -0.51 0.00 0.00 58.31 57.34 1dt7 n LYS 48 Cb 0.51 -1.25 -0.14 0.00 -0.51 0.00 0.00 35.03 33.64 1dt7 n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1dt7 s GLU 49 N -2.51 1.78 0.53 1.97 0.41 -1.26 -5.00 118.70 114.63 1dt7 s GLU 49 Ca -0.04 -1.13 0.32 0.00 -0.41 0.00 0.00 54.97 53.70 1dt7 s GLU 49 Cb 0.05 -2.01 1.37 0.00 -1.78 0.00 0.00 34.13 31.76 1dt7 s GLU 49 CO 0.42 0.51 1.99 1.96 -0.49 0.00 0.00 175.26 179.65 1dt7 h GLN 50 N 4.58 0.00 -0.78 1.61 1.08 -2.01 -2.83 115.11 116.75 1dt7 h GLN 50 Ca -0.47 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.68 1dt7 h GLN 50 Cb 1.15 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 1dt7 h GLN 50 CO 0.44 0.07 0.30 1.05 -0.95 0.00 0.00 178.83 179.74 1dt7 h GLU 51 N 0.00 1.18 -1.01 1.46 -0.00 -2.00 -1.99 114.58 112.22 1dt7 h GLU 51 Ca -0.00 -0.22 0.01 0.00 -0.00 0.00 0.00 59.36 59.15 1dt7 h GLU 51 Cb 0.50 -0.19 -0.05 0.00 -0.00 0.00 0.00 28.75 29.01 1dt7 h GLU 51 CO 0.01 0.96 0.67 0.28 -0.00 0.00 0.00 179.01 180.93 1dt7 h VAL 52 N 1.14 1.26 -0.93 -1.06 2.07 -1.93 -0.59 116.25 116.21 1dt7 h VAL 52 Ca 0.26 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1dt7 h VAL 52 Cb 0.23 -0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 1dt7 h VAL 52 CO -0.02 0.25 0.53 0.58 0.02 0.00 0.00 177.57 178.93 1dt7 h VAL 53 N 1.37 1.26 -0.86 2.57 2.07 -1.47 -1.59 116.25 119.59 1dt7 h VAL 53 Ca 0.37 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1dt7 h VAL 53 Cb -0.16 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.56 1dt7 h VAL 53 CO -0.08 0.29 0.47 -0.78 0.02 0.00 0.00 177.57 177.48 1dt7 h ASP 54 N 1.29 1.07 -0.60 0.57 1.82 -0.44 0.36 116.42 120.50 1dt7 h ASP 54 Ca 0.33 -0.10 -0.10 0.00 -0.39 0.00 0.00 57.03 56.77 1dt7 h ASP 54 Cb -0.01 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 1dt7 h ASP 54 CO -0.06 0.87 -0.03 0.50 -1.61 0.00 0.00 179.24 178.91 1dt7 h LYS 55 N 1.20 1.08 -0.17 0.28 3.64 -0.72 -1.06 116.57 120.82 1dt7 h LYS 55 Ca 0.30 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 1dt7 h LYS 55 Cb 0.03 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1dt7 h LYS 55 CO -0.05 1.06 -0.28 0.28 -2.27 0.00 0.00 179.45 178.19 1dt7 h VAL 56 N 0.97 1.26 0.00 2.00 2.07 -0.76 -2.16 116.25 119.63 1dt7 h VAL 56 Ca 0.17 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 1dt7 h VAL 56 Cb 0.60 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1dt7 h VAL 56 CO 0.04 0.38 -0.49 0.24 0.02 0.00 0.00 177.57 177.76 1dt7 h MET 57 N 0.29 0.00 -0.99 1.57 2.86 -0.24 -0.30 114.93 118.12 1dt7 h MET 57 Ca 0.04 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1dt7 h MET 57 Cb 0.65 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 1dt7 h MET 57 CO 0.05 0.49 0.65 1.49 1.06 0.00 0.00 176.91 180.65 1dt7 h GLU 58 N 0.00 1.21 -0.04 1.72 4.81 -0.53 3.69 114.58 125.44 1dt7 h GLU 58 Ca -0.00 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1dt7 h GLU 58 Cb 0.93 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 30.04 1dt7 h GLU 58 CO 0.06 0.80 -0.50 1.15 -0.73 0.00 0.00 179.01 179.80 1dt7 h THR 59 N 1.24 1.42 0.00 0.32 2.02 -1.39 -3.32 112.91 113.20 1dt7 h THR 59 Ca 0.40 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1dt7 h THR 59 Cb 0.02 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1dt7 h THR 59 CO -0.13 0.56 -0.69 0.18 0.37 0.00 0.00 175.52 175.82 1dt7 n LEU 60 N -4.28 0.69 -3.44 2.58 4.77 -0.17 -4.28 117.00 112.86 1dt7 n LEU 60 Ca -0.09 0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.68 1dt7 n LEU 60 Cb 0.61 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1dt7 n LEU 60 CO 0.45 -0.04 3.12 -0.67 -1.33 0.00 0.00 177.39 178.92 1dt7 n ASP 61 N -2.09 7.48 -0.36 -1.43 -0.08 1.22 -4.59 116.55 116.69 1dt7 n ASP 61 Ca 0.03 -2.70 -0.02 0.00 -1.51 0.00 0.00 54.79 50.59 1dt7 n ASP 61 Cb 0.44 -1.56 0.13 0.00 2.34 0.00 0.00 41.12 42.46 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 5.22 1.29 -0.00 -0.67 5.08 -1.80 0.40 114.58 124.10 1dt7 h GLU 62 Ca 0.78 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 1dt7 h GLU 62 Cb 0.38 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1dt7 h GLU 62 CO 1.78 0.85 -0.03 -0.40 -1.00 0.00 0.00 179.01 180.21 1dt7 n ASP 63 N -4.38 0.07 -2.29 1.42 5.75 -1.26 -4.91 116.55 110.95 1dt7 n ASP 63 Ca 0.12 0.04 -0.16 0.00 -0.01 0.00 0.00 54.79 54.78 1dt7 n ASP 63 Cb 0.01 -0.32 0.04 0.00 -1.03 0.00 0.00 41.12 39.82 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 1.37 -0.10 0.67 6.12 0.00 0.13 -4.91 105.19 108.46 1dt7 n GLY 64 Ca 0.11 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.28 2.49 0.00 1.61 5.75 -1.26 -4.93 116.55 118.92 1dt7 n ASP 65 Ca -0.05 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1dt7 n ASP 65 Cb 0.57 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.86 0.91 2.96 6.12 0.00 -1.26 -4.99 105.19 109.79 1dt7 n GLY 66 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.04 0.70 -0.24 1.61 2.02 -1.26 -3.22 118.70 118.26 1dt7 s GLU 67 Ca 0.00 -0.22 -0.11 0.00 0.02 0.00 0.00 54.97 54.67 1dt7 s GLU 67 Cb 0.00 -0.68 -0.05 0.00 0.10 0.00 0.00 34.13 33.50 1dt7 s GLU 67 CO 0.00 0.08 0.17 0.00 0.02 0.00 0.00 175.26 175.53 1dt7 s ASP 69 N 1.09 3.29 0.35 0.00 -1.08 -1.26 -1.84 116.67 117.23 1dt7 s ASP 69 Ca 0.08 2.05 0.14 0.00 -0.52 0.00 0.00 52.55 54.29 1dt7 s ASP 69 Cb -0.14 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.78 1dt7 s ASP 69 CO 0.05 -2.84 1.73 0.15 0.52 0.00 0.00 175.17 174.78 1dt7 h PHE 70 N -1.69 0.87 -0.36 -5.34 3.57 -1.91 0.37 116.94 112.46 1dt7 h PHE 70 Ca -0.44 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 60.93 1dt7 h PHE 70 Cb 1.26 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1dt7 h PHE 70 CO 0.51 0.04 -0.41 -0.56 -2.23 0.00 0.00 178.31 175.66 1dt7 h GLN 71 N 0.48 0.90 -0.33 1.11 3.07 -1.93 -0.52 115.11 117.90 1dt7 h GLN 71 Ca 0.64 -0.49 -0.02 0.00 0.09 0.00 0.00 58.65 58.88 1dt7 h GLN 71 Cb 1.41 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.97 1dt7 h GLN 71 CO -0.42 1.14 0.14 0.93 0.09 0.00 0.00 178.83 180.71 1dt7 h GLU 72 N 0.73 0.48 0.00 0.06 5.08 -0.62 -1.77 114.58 118.54 1dt7 h GLU 72 Ca 0.05 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1dt7 h GLU 72 Cb 1.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1dt7 h GLU 72 CO 0.10 0.46 -0.30 0.35 -1.00 0.00 0.00 179.01 178.62 1dt7 h PHE 73 N 0.38 0.00 -0.93 4.33 3.57 -1.19 -2.68 116.94 120.42 1dt7 h PHE 73 Ca 0.11 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1dt7 h PHE 73 Cb 0.15 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1dt7 h PHE 73 CO -0.01 0.30 0.61 1.98 -2.23 0.00 0.00 178.31 178.97 1dt7 h MET 74 N 0.00 1.22 -0.03 1.11 4.05 -0.21 -1.30 114.93 119.76 1dt7 h MET 74 Ca -0.00 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.24 1dt7 h MET 74 Cb 0.76 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1dt7 h MET 74 CO 0.04 0.81 -0.49 0.00 0.23 0.00 0.00 176.91 177.49 1dt7 h ALA 75 N 1.42 1.14 -1.00 0.39 0.00 -1.10 -2.94 119.26 117.16 1dt7 h ALA 75 Ca 0.34 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 75 Cb -0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1dt7 h ALA 75 CO -0.07 0.63 0.67 0.35 0.00 0.00 0.00 179.25 180.82 1dt7 h PHE 76 N 0.05 1.26 -0.54 0.00 3.57 -1.23 -1.99 116.94 118.07 1dt7 h PHE 76 Ca -0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1dt7 h PHE 76 Cb 0.89 -0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1dt7 h PHE 76 CO 0.00 0.80 0.12 0.28 -2.23 0.00 0.00 178.31 177.27 1dt7 h VAL 77 N 1.36 1.23 -0.46 1.41 2.07 -1.33 -2.44 116.25 118.09 1dt7 h VAL 77 Ca 0.37 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1dt7 h VAL 77 Cb -0.16 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1dt7 h VAL 77 CO -0.08 0.31 0.01 0.77 0.02 0.00 0.00 177.57 178.60 1dt7 h SER 78 N 0.80 0.79 -0.37 0.57 4.64 -1.34 -2.12 113.55 116.53 1dt7 h SER 78 Ca 0.17 -0.30 -0.16 0.00 -0.47 0.00 0.00 61.79 61.03 1dt7 h SER 78 Cb 0.32 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1dt7 h SER 78 CO 0.00 0.90 -0.39 0.24 -0.87 0.00 0.00 176.83 176.71 1dt7 h MET 79 N 0.66 0.91 -0.44 4.77 2.07 -1.27 -2.91 114.93 118.71 1dt7 h MET 79 Ca 0.13 -0.49 -0.06 0.00 -2.07 0.00 0.00 59.70 57.21 1dt7 h MET 79 Cb 0.49 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.22 1dt7 h MET 79 CO 0.02 1.14 0.02 0.28 1.07 0.00 0.00 176.91 179.45 1dt7 h VAL 80 N 0.72 1.23 -1.00 -2.22 2.07 -1.41 -2.03 116.25 113.61 1dt7 h VAL 80 Ca 0.05 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1dt7 h VAL 80 Cb 0.99 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1dt7 h VAL 80 CO 0.10 0.32 0.66 0.74 0.02 0.00 0.00 177.57 179.41 1dt7 h THR 81 N 0.67 1.25 -0.78 2.57 2.02 -1.27 0.01 112.91 117.39 1dt7 h THR 81 Ca 0.14 -0.46 0.12 0.00 0.77 0.00 0.00 66.41 66.97 1dt7 h THR 81 Cb 0.38 -0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.52 1dt7 h THR 81 CO 0.01 0.25 0.51 0.74 0.37 0.00 0.00 175.52 177.40 1dt7 h THR 82 N 1.35 0.88 -1.01 3.16 2.02 -1.18 0.14 112.91 118.29 1dt7 h THR 82 Ca 0.37 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.35 1dt7 h THR 82 Cb -0.15 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 66.43 1dt7 h THR 82 CO -0.08 0.11 0.67 0.00 0.37 0.00 0.00 175.52 176.59 1dt7 h ALA 83 N 1.62 1.28 -0.63 6.16 0.00 -0.89 -1.67 119.26 125.13 1dt7 h ALA 83 Ca 0.37 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1dt7 h ALA 83 Cb 0.60 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1dt7 h ALA 83 CO -0.14 0.67 0.42 0.00 0.00 0.00 0.00 179.25 180.20 1dt7 h HIS 85 N 0.86 1.27 -0.80 0.00 6.17 -1.10 1.13 115.15 122.66 1dt7 h HIS 85 Ca 0.23 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.29 1dt7 h HIS 85 Cb -0.10 -0.43 -0.04 0.00 2.52 0.00 0.00 27.41 29.37 1dt7 h HIS 85 CO -0.00 0.80 0.33 1.49 0.71 0.00 0.00 177.93 181.26 1dt7 h GLU 86 N 1.36 1.19 0.04 5.26 4.81 -1.20 -2.61 114.58 123.43 1dt7 h GLU 86 Ca 0.37 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1dt7 h GLU 86 Cb -0.15 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.04 1dt7 h GLU 86 CO -0.08 0.96 -0.51 0.74 -0.73 0.00 0.00 179.01 179.40 1dt7 h PHE 87 N 1.16 0.43 -2.07 0.92 0.04 -0.88 -3.33 116.94 113.22 1dt7 h PHE 87 Ca 0.27 -0.26 -0.79 0.00 2.80 0.00 0.00 57.97 59.99 1dt7 h PHE 87 Cb 0.21 -0.04 -0.22 0.00 2.20 0.00 0.00 35.95 38.10 1dt7 h PHE 87 CO 0.02 1.12 1.44 1.19 -0.60 0.00 0.00 178.31 181.48 1dt7 n PHE 88 N -4.31 2.58 -2.72 -0.55 3.72 0.38 -4.95 117.46 111.62 1dt7 n PHE 88 Ca -0.11 -2.66 -0.42 0.00 -0.05 0.00 0.00 57.45 54.21 1dt7 n PHE 88 Cb 0.65 -1.49 -0.03 0.00 -0.94 0.00 0.00 39.48 37.66 1dt7 n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1dt7 s GLU 89 N -2.26 3.22 0.50 -1.08 2.12 -0.99 -4.69 118.70 115.52 1dt7 s GLU 89 Ca 0.40 -0.41 0.32 0.00 0.36 0.00 0.00 54.97 55.64 1dt7 s GLU 89 Cb 0.13 -4.15 1.31 0.00 0.26 0.00 0.00 34.13 31.67 1dt7 s GLU 89 CO -0.02 -1.84 1.94 1.12 -0.54 0.00 0.00 175.26 175.92 1dt7 h HIS 90 N 9.66 0.00 0.00 5.30 2.07 -1.92 -3.52 115.15 126.74 1dt7 h HIS 90 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 1dt7 h HIS 90 Cb 1.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.04 1dt7 h HIS 90 CO 1.02 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 173.97