#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 -3.24 0.00 7.83 3.41 -1.26 -4.67 113.62 115.69 1dt7 n SER 1 Ca 0.00 0.14 0.08 0.00 -0.26 0.00 0.00 58.87 58.82 1dt7 n SER 1 Cb 0.00 -2.54 0.45 0.00 -0.26 0.00 0.00 64.21 61.86 1dt7 n SER 1 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1dt7 n GLU 2 N -0.52 0.43 -0.16 4.33 2.13 -1.26 -3.49 120.64 122.09 1dt7 n GLU 2 Ca -0.05 0.04 0.01 0.00 0.66 0.00 0.00 57.16 57.82 1dt7 n GLU 2 Cb 0.33 -1.50 0.29 0.00 0.27 0.00 0.00 31.44 30.83 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1dt7 h LEU 3 N 0.00 0.76 -1.01 4.31 5.85 -2.01 -2.54 115.31 120.67 1dt7 h LEU 3 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1dt7 h LEU 3 Cb 0.04 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1dt7 h LEU 3 CO 0.00 0.55 0.67 -0.08 -0.34 0.00 0.00 178.44 179.24 1dt7 h GLU 4 N 0.89 1.32 -0.73 1.25 4.81 -1.96 -1.61 114.58 118.55 1dt7 h GLU 4 Ca 0.24 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1dt7 h GLU 4 Cb -0.10 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 28.95 1dt7 h GLU 4 CO -0.05 0.88 0.20 -0.22 -0.73 0.00 0.00 179.01 179.08 1dt7 h LYS 5 N 1.36 1.16 -0.50 1.92 3.64 -1.73 -2.63 116.57 119.78 1dt7 h LYS 5 Ca 0.37 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1dt7 h LYS 5 Cb -0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.50 1dt7 h LYS 5 CO -0.08 1.00 -0.19 0.00 -2.27 0.00 0.00 179.45 177.91 1dt7 h ALA 6 N 1.10 0.71 -0.85 5.00 0.00 -1.25 -2.05 119.26 121.92 1dt7 h ALA 6 Ca 0.23 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1dt7 h ALA 6 Cb 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1dt7 h ALA 6 CO -0.00 0.68 0.40 0.52 0.00 0.00 0.00 179.25 180.85 1dt7 h MET 7 N 0.88 1.23 -0.55 0.00 2.86 -1.15 -1.89 114.93 116.31 1dt7 h MET 7 Ca 0.12 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 1dt7 h MET 7 Cb 0.77 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1dt7 h MET 7 CO 0.06 0.95 -0.02 0.28 1.06 0.00 0.00 176.91 179.24 1dt7 h VAL 8 N 1.22 1.26 -0.71 -2.22 2.07 -1.35 -3.03 116.25 113.49 1dt7 h VAL 8 Ca 0.29 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1dt7 h VAL 8 Cb 0.13 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1dt7 h VAL 8 CO -0.04 0.40 0.17 0.00 0.02 0.00 0.00 177.57 178.13 1dt7 h ALA 9 N 1.09 0.94 -1.01 1.67 0.00 -0.65 -2.01 119.26 119.30 1dt7 h ALA 9 Ca 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1dt7 h ALA 9 Cb 0.54 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1dt7 h ALA 9 CO 0.03 0.67 0.66 -0.07 0.00 0.00 0.00 179.25 180.55 1dt7 h LEU 10 N 1.09 1.16 -0.54 0.00 4.07 -1.25 -2.03 115.31 117.81 1dt7 h LEU 10 Ca 0.22 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 58.01 1dt7 h LEU 10 Cb 0.38 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1dt7 h LEU 10 CO 0.00 0.84 -0.29 0.40 -1.08 0.00 0.00 178.44 178.31 1dt7 h ILE 11 N 1.37 1.27 -0.69 1.22 2.04 -1.45 -2.53 117.51 118.73 1dt7 h ILE 11 Ca 0.37 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1dt7 h ILE 11 Cb -0.15 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1dt7 h ILE 11 CO -0.08 0.49 0.13 0.44 0.00 0.00 0.00 178.15 179.13 1dt7 h ASP 12 N 0.74 1.08 -0.45 1.72 3.32 -0.77 -2.86 116.42 119.19 1dt7 h ASP 12 Ca 0.08 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1dt7 h ASP 12 Cb 0.85 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1dt7 h ASP 12 CO 0.07 1.06 -0.13 1.62 -1.72 0.00 0.00 179.24 180.15 1dt7 h VAL 13 N 1.06 1.27 -1.01 -1.35 3.04 -1.34 -2.25 116.25 115.67 1dt7 h VAL 13 Ca 0.21 -1.26 0.18 0.00 -1.01 0.00 0.00 66.70 64.83 1dt7 h VAL 13 Cb 0.42 1.02 -0.10 0.00 -2.01 0.00 0.00 31.29 30.62 1dt7 h VAL 13 CO 0.01 0.44 0.62 0.15 -1.01 0.00 0.00 177.57 177.77 1dt7 h PHE 14 N 0.83 1.08 0.00 3.17 3.57 -1.22 0.25 116.94 124.62 1dt7 h PHE 14 Ca 0.13 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1dt7 h PHE 14 Cb 0.67 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1dt7 h PHE 14 CO 0.04 0.26 -0.22 1.25 -2.23 0.00 0.00 178.31 177.41 1dt7 h HIS 15 N 0.79 0.00 -0.48 0.41 2.76 -1.41 -2.20 115.15 115.03 1dt7 h HIS 15 Ca 0.57 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.83 1dt7 h HIS 15 Cb 0.86 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.74 1dt7 h HIS 15 CO -0.00 0.22 0.03 0.37 -1.30 0.00 0.00 177.93 177.25 1dt7 h GLN 16 N 0.00 0.15 0.00 5.26 5.75 0.09 -3.16 115.11 123.20 1dt7 h GLN 16 Ca -0.00 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 1dt7 h GLN 16 Cb 1.17 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 1dt7 h GLN 16 CO 0.03 0.10 -1.54 2.48 -2.65 0.00 0.00 178.83 177.25 1dt7 n TYR 17 N -5.19 0.00 -0.38 3.99 4.11 -1.22 -4.52 117.16 113.95 1dt7 n TYR 17 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.93 1dt7 n TYR 17 Cb 0.25 -0.34 0.11 0.00 -0.00 0.00 0.00 39.34 39.36 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 1.16 0.20 9.48 0.02 -1.47 0.92 113.55 123.86 1dt7 h SER 18 Ca -0.14 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1dt7 h SER 18 Cb 1.07 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1dt7 h SER 18 CO 0.01 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 1dt7 n GLY 19 N -1.38 -0.97 0.05 -3.77 0.00 -1.19 -3.66 105.19 94.27 1dt7 n GLY 19 Ca 0.12 -0.15 -0.12 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 0.04 0.00 1.61 2.43 -1.04 -3.38 114.38 114.04 1dt7 h ARG 20 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dt7 h ARG 20 Cb 0.10 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1dt7 h ARG 20 CO 0.00 0.03 0.00 0.39 -1.51 0.00 0.00 179.97 178.88 1dt7 n GLU 21 N -5.07 0.00 0.00 0.20 1.02 -1.24 -5.04 120.64 110.51 1dt7 n GLU 21 Ca -0.06 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1dt7 n GLU 21 Cb 0.03 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 2.21 0.00 2.83 0.62 0.00 -1.25 -5.02 105.19 104.58 1dt7 n GLY 22 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.01 3.57 -0.31 1.61 8.00 -1.26 -4.67 116.55 123.46 1dt7 n ASP 23 Ca 0.00 -2.80 -0.04 0.00 0.71 0.00 0.00 54.79 52.65 1dt7 n ASP 23 Cb 0.00 -1.53 0.08 0.00 -0.02 0.00 0.00 41.12 39.64 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 6.48 1.20 -0.01 -1.24 3.64 -1.94 -2.57 116.57 122.12 1dt7 h LYS 24 Ca 0.53 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1dt7 h LYS 24 Cb 0.65 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1dt7 h LYS 24 CO 1.90 0.88 -0.01 -2.39 -2.27 0.00 0.00 179.45 177.56 1dt7 n HIS 25 N -4.36 0.00 -3.77 1.91 1.44 -1.26 -4.85 115.22 104.32 1dt7 n HIS 25 Ca 0.09 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.68 1dt7 n HIS 25 Cb 0.10 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.13 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 -2.02 0.78 -0.05 -1.40 2.20 -0.97 -4.17 119.74 114.10 1dt7 s LYS 26 Ca 0.37 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.52 1dt7 s LYS 26 Cb 0.21 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 1dt7 s LYS 26 CO 0.34 -0.24 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.37 1dt7 s LEU 27 N -2.03 2.35 0.05 5.43 1.43 -0.76 -4.52 118.68 120.63 1dt7 s LEU 27 Ca -0.05 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1dt7 s LEU 27 Cb -0.01 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1dt7 s LEU 27 CO -0.03 0.30 0.01 -0.75 0.23 0.00 0.00 176.35 176.11 1dt7 s LYS 28 N -0.46 2.68 0.56 1.70 2.20 -1.26 -0.93 119.74 124.23 1dt7 s LYS 28 Ca 0.05 -0.73 0.28 0.00 -0.36 0.00 0.00 55.97 55.21 1dt7 s LYS 28 Cb -0.12 -2.61 0.94 0.00 -1.51 0.00 0.00 37.83 34.54 1dt7 s LYS 28 CO 0.01 0.58 1.25 1.17 -0.36 0.00 0.00 175.35 177.99 1dt7 n LYS 29 N 0.88 0.01 -0.01 4.03 4.81 -1.09 0.22 118.16 127.02 1dt7 n LYS 29 Ca -0.12 0.97 -0.17 0.00 -0.87 0.00 0.00 58.31 58.12 1dt7 n LYS 29 Cb 0.52 -2.38 -0.13 0.00 0.02 0.00 0.00 35.03 33.06 1dt7 n LYS 29 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1dt7 h SER 30 N 0.00 0.28 0.03 3.14 4.64 -1.92 -2.71 113.55 117.00 1dt7 h SER 30 Ca 0.51 -0.89 -0.14 0.00 -0.47 0.00 0.00 61.79 60.80 1dt7 h SER 30 Cb 2.86 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 64.85 1dt7 h SER 30 CO -0.01 1.14 -0.45 -0.33 -0.87 0.00 0.00 176.83 176.32 1dt7 h GLU 31 N -0.55 0.50 -1.00 4.77 5.08 0.24 -2.82 114.58 120.80 1dt7 h GLU 31 Ca -0.06 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1dt7 h GLU 31 Cb 1.25 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 1dt7 h GLU 31 CO 0.08 0.85 0.66 1.25 -1.00 0.00 0.00 179.01 180.85 1dt7 h LEU 32 N 0.41 1.15 -1.00 1.33 5.85 -0.43 -1.34 115.31 121.27 1dt7 h LEU 32 Ca 0.03 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1dt7 h LEU 32 Cb 0.95 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1dt7 h LEU 32 CO 0.08 0.83 0.66 0.50 -0.34 0.00 0.00 178.44 180.18 1dt7 h LYS 33 N 1.36 1.32 -0.60 1.25 3.64 -1.23 -1.28 116.57 121.02 1dt7 h LYS 33 Ca 0.37 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1dt7 h LYS 33 Cb -0.15 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 31.34 1dt7 h LYS 33 CO -0.08 0.87 0.34 0.93 -2.27 0.00 0.00 179.45 179.25 1dt7 h GLU 34 N 1.35 0.82 0.29 1.90 4.39 -1.14 1.28 114.58 123.48 1dt7 h GLU 34 Ca 0.37 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1dt7 h GLU 34 Cb -0.15 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.33 1dt7 h GLU 34 CO -0.08 0.59 -0.14 1.25 -1.16 0.00 0.00 179.01 179.47 1dt7 h LEU 35 N 0.83 -0.34 0.04 1.33 6.46 -0.75 -0.20 115.31 122.69 1dt7 h LEU 35 Ca 0.22 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.87 1dt7 h LEU 35 Cb -0.00 0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1dt7 h LEU 35 CO -0.04 -0.24 -0.50 0.40 -0.62 0.00 0.00 178.44 177.45 1dt7 h ILE 36 N -0.40 1.53 -0.11 4.05 2.04 -1.03 -2.18 117.51 121.40 1dt7 h ILE 36 Ca -0.04 -2.22 -0.19 0.00 1.00 0.00 0.00 64.86 63.41 1dt7 h ILE 36 Cb 0.30 2.93 -0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1dt7 h ILE 36 CO 0.07 0.62 -0.71 -1.13 0.00 0.00 0.00 178.15 177.00 1dt7 h ASN 37 N -0.41 0.61 0.07 1.72 -0.73 0.16 -2.88 115.58 114.12 1dt7 h ASN 37 Ca -0.07 -0.39 -0.37 0.00 1.87 0.00 0.00 56.30 57.34 1dt7 h ASN 37 Cb 1.29 -0.18 -0.06 0.00 0.27 0.00 0.00 38.32 39.65 1dt7 h ASN 37 CO 0.10 1.14 -2.29 -3.20 -0.37 0.00 0.00 177.43 172.80 1dt7 n ASN 38 N -3.88 1.51 0.00 1.15 4.05 -0.11 -4.20 115.26 113.79 1dt7 n ASN 38 Ca -0.05 0.01 0.09 0.00 0.45 0.00 0.00 54.58 55.09 1dt7 n ASN 38 Cb 0.70 -0.19 -0.14 0.00 1.23 0.00 0.00 39.78 41.38 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1dt7 n GLU 39 N -3.19 0.65 -2.89 1.20 1.02 -0.85 -4.54 120.64 112.04 1dt7 n GLU 39 Ca -0.38 -0.12 -0.21 0.00 -0.02 0.00 0.00 57.16 56.43 1dt7 n GLU 39 Cb 1.04 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.87 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1dt7 n LEU 40 N -2.38 2.93 -0.01 -4.62 4.77 -1.02 -4.90 117.00 111.78 1dt7 n LEU 40 Ca -0.06 -5.08 -0.00 0.00 -0.03 0.00 0.00 56.01 50.84 1dt7 n LEU 40 Cb 0.62 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1dt7 n LEU 40 CO 0.45 2.19 0.03 0.28 -1.33 0.00 0.00 177.39 179.00 1dt7 h SER 41 N 2.91 -0.02 0.17 -1.43 0.02 -1.71 -3.17 113.55 110.32 1dt7 h SER 41 Ca 0.12 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.75 1dt7 h SER 41 Cb 0.83 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.41 1dt7 h SER 41 CO 0.68 0.12 -1.33 -0.74 -1.14 0.00 0.00 176.83 174.43 1dt7 h HIS 42 N -0.30 1.02 -0.55 3.45 -0.00 -1.92 -2.98 115.15 113.87 1dt7 h HIS 42 Ca -0.00 -0.67 -0.01 0.00 -0.00 0.00 0.00 60.37 59.69 1dt7 h HIS 42 Cb 0.02 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 1dt7 h HIS 42 CO 0.01 1.51 0.29 0.35 -0.00 0.00 0.00 177.93 180.09 1dt7 h PHE 43 N 0.24 0.73 -3.07 5.26 3.57 -1.91 -3.44 116.94 118.34 1dt7 h PHE 43 Ca -0.21 -0.01 -0.41 0.00 3.53 0.00 0.00 57.97 60.87 1dt7 h PHE 43 Cb 2.00 -0.24 -0.15 0.00 2.79 0.00 0.00 35.95 40.36 1dt7 h PHE 43 CO 0.12 0.52 -0.73 -1.17 -2.23 0.00 0.00 178.31 174.82 1dt7 s LEU 44 N -9.54 2.55 -0.39 0.59 2.96 -1.20 -5.05 118.68 108.60 1dt7 s LEU 44 Ca -0.09 -1.01 -0.32 0.00 -0.22 0.00 0.00 54.13 52.49 1dt7 s LEU 44 Cb 0.17 -0.56 -0.10 0.00 0.50 0.00 0.00 46.19 46.20 1dt7 s LEU 44 CO 0.77 -0.22 2.28 1.21 -1.32 0.00 0.00 176.35 179.06 1dt7 n GLU 45 N -0.30 1.19 -1.79 1.98 2.13 -1.26 -4.32 120.64 118.27 1dt7 n GLU 45 Ca -0.09 0.27 -0.39 0.00 0.66 0.00 0.00 57.16 57.62 1dt7 n GLU 45 Cb 0.60 -2.73 0.03 0.00 0.27 0.00 0.00 31.44 29.62 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1dt7 s GLU 46 N 6.81 3.32 0.26 5.31 2.12 -1.13 -4.95 118.70 130.44 1dt7 s GLU 46 Ca 1.08 2.30 -0.29 0.00 0.36 0.00 0.00 54.97 58.42 1dt7 s GLU 46 Cb -0.66 -2.39 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 1dt7 s GLU 46 CO 0.42 -1.07 0.94 0.42 -0.54 0.00 0.00 175.26 175.43 1dt7 s ILE 47 N -1.27 4.11 -0.04 -3.70 -1.09 -1.26 -4.95 121.20 113.01 1dt7 s ILE 47 Ca 0.68 2.01 0.13 0.00 -2.23 0.00 0.00 60.65 61.25 1dt7 s ILE 47 Cb -0.42 -4.25 -0.20 0.00 -1.58 0.00 0.00 42.46 36.01 1dt7 s ILE 47 CO 0.51 0.41 0.25 0.29 -1.23 0.00 0.00 174.94 175.18 1dt7 n LYS 48 N 1.27 0.71 -3.99 2.79 4.76 -1.26 -4.93 118.16 117.51 1dt7 n LYS 48 Ca -0.01 -0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.24 1dt7 n LYS 48 Cb 0.48 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.24 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 -2.84 0.48 0.51 1.97 0.41 -1.26 -5.02 118.70 112.96 1dt7 s GLU 49 Ca -0.05 -0.80 0.30 0.00 -0.41 0.00 0.00 54.97 54.00 1dt7 s GLU 49 Cb 0.08 0.18 1.31 0.00 -1.78 0.00 0.00 34.13 33.92 1dt7 s GLU 49 CO 0.57 -0.10 1.98 0.37 -0.49 0.00 0.00 175.26 177.59 1dt7 h GLN 50 N 3.94 0.00 -0.63 1.61 5.75 -2.00 -2.92 115.11 120.87 1dt7 h GLN 50 Ca -0.33 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.10 1dt7 h GLN 50 Cb 1.18 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1dt7 h GLN 50 CO 0.50 0.11 0.09 1.05 -2.65 0.00 0.00 178.83 177.93 1dt7 h GLU 51 N 0.00 1.03 -0.93 1.69 4.11 -2.00 -2.07 114.58 116.42 1dt7 h GLU 51 Ca -0.00 -0.27 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 1dt7 h GLU 51 Cb 0.51 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1dt7 h GLU 51 CO 0.01 0.96 0.53 0.28 0.07 0.00 0.00 179.01 180.86 1dt7 h VAL 52 N 0.97 1.26 -0.82 -1.06 2.07 -1.94 -1.23 116.25 115.50 1dt7 h VAL 52 Ca 0.19 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1dt7 h VAL 52 Cb 0.44 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1dt7 h VAL 52 CO 0.01 0.28 0.37 0.58 0.02 0.00 0.00 177.57 178.83 1dt7 h VAL 53 N 1.29 1.26 -1.00 2.57 2.07 -1.55 -2.06 116.25 118.82 1dt7 h VAL 53 Ca 0.33 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1dt7 h VAL 53 Cb -0.01 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 1dt7 h VAL 53 CO -0.06 0.32 0.66 -0.78 0.02 0.00 0.00 177.57 177.74 1dt7 h ASP 54 N 1.19 1.16 -0.82 0.57 1.82 -0.56 0.99 116.42 120.76 1dt7 h ASP 54 Ca 0.28 -0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.85 1dt7 h ASP 54 Cb 0.16 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 39.85 1dt7 h ASP 54 CO -0.03 0.84 0.36 0.50 -1.61 0.00 0.00 179.24 179.30 1dt7 h LYS 55 N 1.36 1.20 -0.10 0.28 3.64 -0.73 0.29 116.57 122.52 1dt7 h LYS 55 Ca 0.37 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1dt7 h LYS 55 Cb -0.15 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.45 1dt7 h LYS 55 CO -0.08 0.95 -0.25 0.28 -2.27 0.00 0.00 179.45 178.08 1dt7 h VAL 56 N 1.18 1.22 0.00 2.00 2.07 -0.62 -1.70 116.25 120.40 1dt7 h VAL 56 Ca 0.28 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 1dt7 h VAL 56 Cb 0.17 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1dt7 h VAL 56 CO -0.03 0.31 -0.36 0.24 0.02 0.00 0.00 177.57 177.75 1dt7 h MET 57 N 0.15 0.00 -1.00 1.57 2.86 0.12 0.23 114.93 118.86 1dt7 h MET 57 Ca 0.03 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1dt7 h MET 57 Cb 0.53 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 57 CO 0.04 0.36 0.65 0.93 1.06 0.00 0.00 176.91 179.95 1dt7 h GLU 58 N 0.00 1.20 0.22 1.72 4.39 -0.26 3.19 114.58 125.04 1dt7 h GLU 58 Ca -0.00 -0.07 -0.30 0.00 0.34 0.00 0.00 59.36 59.32 1dt7 h GLU 58 Cb 0.78 -0.27 0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1dt7 h GLU 58 CO 0.05 0.79 -1.32 1.15 -1.16 0.00 0.00 179.01 178.52 1dt7 h THR 59 N 1.23 1.32 0.00 1.13 2.02 -1.36 -3.34 112.91 113.92 1dt7 h THR 59 Ca 0.41 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.96 1dt7 h THR 59 Cb 0.05 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1dt7 h THR 59 CO -0.14 0.78 -0.81 -0.07 0.37 0.00 0.00 175.52 175.66 1dt7 h LEU 60 N 0.07 0.00 -5.30 2.58 4.07 -0.07 -3.38 115.31 113.28 1dt7 h LEU 60 Ca -0.23 -0.09 -0.69 0.00 0.08 0.00 0.00 57.88 56.96 1dt7 h LEU 60 Cb 2.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.77 1dt7 h LEU 60 CO 0.25 0.04 3.50 -0.67 -1.08 0.00 0.00 178.44 180.48 1dt7 n ASP 61 N -2.48 7.74 -0.03 -0.43 2.03 1.06 -4.56 116.55 119.87 1dt7 n ASP 61 Ca 0.01 -2.71 0.04 0.00 0.52 0.00 0.00 54.79 52.65 1dt7 n ASP 61 Cb 0.51 -1.55 0.40 0.00 -0.72 0.00 0.00 41.12 39.76 1dt7 n ASP 61 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1dt7 h GLU 62 N 5.14 0.60 0.00 -0.67 5.08 -1.80 0.31 114.58 123.24 1dt7 h GLU 62 Ca 0.79 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1dt7 h GLU 62 Cb 0.36 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1dt7 h GLU 62 CO 1.76 0.40 0.00 -0.25 -1.00 0.00 0.00 179.01 179.92 1dt7 n ASP 63 N -4.47 0.00 -2.36 1.42 8.00 -1.26 -4.89 116.55 113.00 1dt7 n ASP 63 Ca 0.04 0.28 -0.20 0.00 0.71 0.00 0.00 54.79 55.63 1dt7 n ASP 63 Cb 0.06 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 1.32 -0.42 0.69 0.44 0.00 0.11 -4.86 105.19 102.47 1dt7 n GLY 64 Ca 0.09 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.80 2.54 0.00 1.61 5.75 -1.26 -4.93 116.55 118.45 1dt7 n ASP 65 Ca -0.19 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1dt7 n ASP 65 Cb 0.65 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 0.90 0.78 2.90 6.12 0.00 -1.26 -4.99 105.19 109.64 1dt7 n GLY 66 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 0.48 -0.18 1.61 2.02 -1.26 -2.66 118.70 118.70 1dt7 s GLU 67 Ca 0.00 -0.09 -0.07 0.00 0.02 0.00 0.00 54.97 54.83 1dt7 s GLU 67 Cb 0.00 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1dt7 s GLU 67 CO 0.00 -0.00 0.05 0.00 0.02 0.00 0.00 175.26 175.33 1dt7 s ASP 69 N 0.38 3.72 0.53 0.00 1.01 -1.26 -1.83 116.67 119.22 1dt7 s ASP 69 Ca 0.02 1.44 0.19 0.00 0.71 0.00 0.00 52.55 54.91 1dt7 s ASP 69 Cb -0.13 -2.13 1.33 0.00 1.01 0.00 0.00 42.92 43.00 1dt7 s ASP 69 CO 0.00 -2.48 2.12 2.19 0.21 0.00 0.00 175.17 177.22 1dt7 h PHE 70 N -1.44 0.00 -0.31 4.23 -0.00 -1.93 0.92 116.94 118.41 1dt7 h PHE 70 Ca -0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.34 1dt7 h PHE 70 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.22 1dt7 h PHE 70 CO 0.43 0.00 -0.38 -0.56 -0.00 0.00 0.00 178.31 177.80 1dt7 h GLN 71 N 0.00 0.74 -0.58 6.09 3.07 -1.93 -1.97 115.11 120.54 1dt7 h GLN 71 Ca 0.06 -0.38 -0.11 0.00 0.09 0.00 0.00 58.65 58.31 1dt7 h GLN 71 Cb 0.23 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.78 1dt7 h GLN 71 CO -0.00 1.00 -0.07 0.93 0.09 0.00 0.00 178.83 180.78 1dt7 h GLU 72 N 0.61 1.06 -0.48 0.06 5.08 -1.20 -2.56 114.58 117.15 1dt7 h GLU 72 Ca 0.05 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1dt7 h GLU 72 Cb 0.93 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1dt7 h GLU 72 CO 0.08 1.07 0.18 0.35 -1.00 0.00 0.00 179.01 179.70 1dt7 h PHE 73 N 0.95 0.70 -0.66 4.33 3.57 -1.03 -2.45 116.94 122.34 1dt7 h PHE 73 Ca 0.15 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1dt7 h PHE 73 Cb 0.64 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1dt7 h PHE 73 CO 0.04 0.55 0.44 0.52 -2.23 0.00 0.00 178.31 177.64 1dt7 h MET 74 N 0.69 0.87 -0.22 1.11 2.86 -0.93 -2.09 114.93 117.22 1dt7 h MET 74 Ca 0.17 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1dt7 h MET 74 Cb 0.16 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1dt7 h MET 74 CO -0.01 0.57 -0.35 0.00 1.06 0.00 0.00 176.91 178.18 1dt7 h ALA 75 N 1.59 0.99 -0.78 6.32 0.00 -1.38 -2.99 119.26 123.00 1dt7 h ALA 75 Ca 0.24 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1dt7 h ALA 75 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1dt7 h ALA 75 CO -0.05 0.60 0.35 0.35 0.00 0.00 0.00 179.25 180.50 1dt7 h PHE 76 N 0.40 1.14 -0.89 0.00 3.57 -1.37 -2.63 116.94 117.16 1dt7 h PHE 76 Ca 0.04 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1dt7 h PHE 76 Cb 0.80 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1dt7 h PHE 76 CO 0.03 0.84 0.59 0.28 -2.23 0.00 0.00 178.31 177.82 1dt7 h VAL 77 N 1.12 1.23 -0.66 1.41 2.07 -1.37 -2.16 116.25 117.88 1dt7 h VAL 77 Ca 0.27 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1dt7 h VAL 77 Cb 0.15 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 1dt7 h VAL 77 CO -0.03 0.22 0.10 0.77 0.02 0.00 0.00 177.57 178.66 1dt7 h SER 78 N 1.21 1.05 -0.27 0.57 4.64 -1.46 -2.13 113.55 117.16 1dt7 h SER 78 Ca 0.33 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1dt7 h SER 78 Cb -0.14 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.67 1dt7 h SER 78 CO -0.07 1.04 -0.27 0.24 -0.87 0.00 0.00 176.83 176.90 1dt7 h MET 79 N 1.03 0.66 -0.14 4.77 2.07 -1.31 -2.75 114.93 119.26 1dt7 h MET 79 Ca 0.20 -0.35 -0.15 0.00 -2.07 0.00 0.00 59.70 57.33 1dt7 h MET 79 Cb 0.44 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 1dt7 h MET 79 CO 0.01 0.96 -0.54 0.28 1.07 0.00 0.00 176.91 178.69 1dt7 h VAL 80 N 0.39 1.34 -0.87 -2.22 2.07 -1.38 -2.89 116.25 112.69 1dt7 h VAL 80 Ca 0.04 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 65.72 1dt7 h VAL 80 Cb 0.84 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 1dt7 h VAL 80 CO 0.07 0.55 0.44 0.74 0.02 0.00 0.00 177.57 179.39 1dt7 h THR 81 N 0.31 1.26 -0.97 2.57 2.02 -1.38 -0.79 112.91 115.93 1dt7 h THR 81 Ca 0.01 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.58 1dt7 h THR 81 Cb 1.06 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1dt7 h THR 81 CO 0.09 0.31 0.62 0.74 0.37 0.00 0.00 175.52 177.66 1dt7 h THR 82 N 1.24 1.00 -0.53 3.16 2.02 -1.28 0.14 112.91 118.66 1dt7 h THR 82 Ca 0.30 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1dt7 h THR 82 Cb 0.08 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 1dt7 h THR 82 CO -0.04 0.19 0.10 0.00 0.37 0.00 0.00 175.52 176.13 1dt7 h ALA 83 N 1.51 1.17 -0.80 6.16 0.00 -1.05 -2.53 119.26 123.72 1dt7 h ALA 83 Ca 0.45 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1dt7 h ALA 83 Cb 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1dt7 h ALA 83 CO -0.20 0.56 0.53 0.00 0.00 0.00 0.00 179.25 180.13 1dt7 h HIS 85 N 1.06 1.26 -0.87 0.00 6.17 -1.00 2.81 115.15 124.59 1dt7 h HIS 85 Ca 0.30 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.42 1dt7 h HIS 85 Cb -0.09 -0.43 -0.04 0.00 2.52 0.00 0.00 27.41 29.37 1dt7 h HIS 85 CO -0.00 0.79 0.58 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 -1.21 -1.97 114.58 123.98 1dt7 h GLU 86 Ca 0.37 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.39 1dt7 h GLU 86 Cb -0.15 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 28.95 1dt7 h GLU 86 CO -0.08 0.76 -1.50 1.19 -0.73 0.00 0.00 179.01 178.64 1dt7 n PHE 87 N -4.40 0.78 -0.45 0.92 3.72 -0.34 -4.00 117.46 113.68 1dt7 n PHE 87 Ca 0.10 0.25 -0.02 0.00 -0.05 0.00 0.00 57.45 57.73 1dt7 n PHE 87 Cb 0.02 -0.99 0.24 0.00 -0.94 0.00 0.00 39.48 37.81 1dt7 n PHE 87 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dt7 n PHE 88 N -2.76 1.76 0.00 1.38 7.35 0.93 -3.77 117.46 122.34 1dt7 n PHE 88 Ca -0.09 -0.85 0.00 0.00 -0.76 0.00 0.00 57.45 55.75 1dt7 n PHE 88 Cb 0.79 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1dt7 n GLU 89 N 0.07 0.00 0.01 -4.13 2.13 -0.77 -4.68 120.64 113.27 1dt7 n GLU 89 Ca 0.28 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.23 1dt7 n GLU 89 Cb 1.08 0.00 0.49 0.00 0.27 0.00 0.00 31.44 33.28 1dt7 n GLU 89 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1dt7 n HIS 90 N 0.00 0.05 0.22 4.31 8.25 -1.26 -5.14 115.22 121.66 1dt7 n HIS 90 Ca 0.00 0.02 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1dt7 n HIS 90 Cb 0.00 -0.45 0.02 0.00 1.12 0.00 0.00 29.99 30.68 1dt7 n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37