#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 -2.96 0.00 6.12 2.88 -1.26 -4.65 113.62 113.75 1dt7 n SER 1 Ca 0.00 0.07 0.08 0.00 -1.33 0.00 0.00 58.87 57.69 1dt7 n SER 1 Cb 0.00 -2.19 0.49 0.00 -0.75 0.00 0.00 64.21 61.75 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1dt7 n GLU 2 N -0.07 0.64 -0.25 -1.46 1.02 -1.26 -3.83 120.64 115.42 1dt7 n GLU 2 Ca -0.03 0.00 0.32 0.00 -0.02 0.00 0.00 57.16 57.43 1dt7 n GLU 2 Cb 0.28 -1.40 0.58 0.00 -0.02 0.00 0.00 31.44 30.88 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 -0.42 -4.62 5.85 -2.00 1.53 115.31 115.65 1dt7 h LEU 3 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1dt7 h LEU 3 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1dt7 h LEU 3 CO 0.00 0.00 -0.42 1.05 -0.34 0.00 0.00 178.44 178.73 1dt7 h GLU 4 N 0.00 0.87 -0.34 1.25 4.11 -1.97 -2.20 114.58 116.30 1dt7 h GLU 4 Ca 0.52 -0.47 -0.16 0.00 0.07 0.00 0.00 59.36 59.32 1dt7 h GLU 4 Cb 2.69 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.96 1dt7 h GLU 4 CO -0.01 1.11 -0.42 -0.22 0.07 0.00 0.00 179.01 179.55 1dt7 h LYS 5 N 0.70 0.85 -0.53 1.06 3.11 0.19 -2.68 116.57 119.27 1dt7 h LYS 5 Ca 0.05 -0.46 -0.12 0.00 -2.81 0.00 0.00 60.65 57.31 1dt7 h LYS 5 Cb 1.00 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.24 1dt7 h LYS 5 CO 0.10 1.10 -0.14 0.00 -2.81 0.00 0.00 179.45 177.70 1dt7 h ALA 6 N 0.83 0.73 -0.49 5.00 0.00 -1.31 -2.39 119.26 121.64 1dt7 h ALA 6 Ca 0.05 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1dt7 h ALA 6 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1dt7 h ALA 6 CO 0.10 0.67 -0.19 0.52 0.00 0.00 0.00 179.25 180.35 1dt7 h MET 7 N 0.91 0.97 -0.76 0.00 2.86 -1.40 -1.86 114.93 115.65 1dt7 h MET 7 Ca 0.13 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 1dt7 h MET 7 Cb 0.72 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1dt7 h MET 7 CO 0.05 1.07 0.24 0.28 1.06 0.00 0.00 176.91 179.61 1dt7 h VAL 8 N 0.85 1.26 -0.14 -2.22 2.07 -1.36 -2.49 116.25 114.22 1dt7 h VAL 8 Ca 0.12 -0.91 -0.18 0.00 0.82 0.00 0.00 66.70 66.55 1dt7 h VAL 8 Cb 0.75 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1dt7 h VAL 8 CO 0.06 0.36 -0.64 0.00 0.02 0.00 0.00 177.57 177.37 1dt7 h ALA 9 N 1.13 0.62 -1.01 1.67 0.00 -1.30 -2.18 119.26 118.19 1dt7 h ALA 9 Ca 0.25 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1dt7 h ALA 9 Cb 0.30 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1dt7 h ALA 9 CO -0.01 0.71 0.67 1.25 0.00 0.00 0.00 179.25 181.88 1dt7 h LEU 10 N 0.38 1.16 -0.58 0.00 5.85 -1.13 -1.66 115.31 119.34 1dt7 h LEU 10 Ca -0.01 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1dt7 h LEU 10 Cb 1.20 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1dt7 h LEU 10 CO 0.12 0.84 -0.35 0.40 -0.34 0.00 0.00 178.44 179.10 1dt7 h ILE 11 N 1.37 1.28 -0.69 4.05 2.04 -1.30 -3.11 117.51 121.16 1dt7 h ILE 11 Ca 0.37 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.73 1dt7 h ILE 11 Cb -0.16 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1dt7 h ILE 11 CO -0.08 0.49 0.46 -0.78 0.00 0.00 0.00 178.15 178.24 1dt7 h ASP 12 N 0.63 0.79 -0.36 1.72 1.82 -0.65 -2.45 116.42 117.92 1dt7 h ASP 12 Ca 0.06 -0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.60 1dt7 h ASP 12 Cb 0.89 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 1dt7 h ASP 12 CO 0.08 0.58 -0.10 0.58 -1.61 0.00 0.00 179.24 178.77 1dt7 h VAL 13 N 0.94 1.28 -1.00 2.25 2.07 -1.46 -3.01 116.25 117.31 1dt7 h VAL 13 Ca 0.25 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1dt7 h VAL 13 Cb -0.11 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1dt7 h VAL 13 CO -0.05 0.39 0.66 0.15 0.02 0.00 0.00 177.57 178.73 1dt7 h PHE 14 N 0.50 1.26 -0.64 1.57 3.04 -1.45 -1.96 116.94 119.25 1dt7 h PHE 14 Ca 0.09 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1dt7 h PHE 14 Cb 0.61 -0.43 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1dt7 h PHE 14 CO 0.05 0.80 0.42 1.25 -2.02 0.00 0.00 178.31 178.81 1dt7 h HIS 15 N 1.36 0.81 -1.00 0.41 2.76 -1.33 -0.96 115.15 117.21 1dt7 h HIS 15 Ca 0.37 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.57 1dt7 h HIS 15 Cb -0.15 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 28.48 1dt7 h HIS 15 CO 0.00 0.52 0.66 1.96 -1.30 0.00 0.00 177.93 179.77 1dt7 h GLN 16 N 0.88 1.30 0.00 5.26 1.08 -1.23 -3.03 115.11 119.37 1dt7 h GLN 16 Ca 0.24 -0.08 -0.20 0.00 -1.45 0.00 0.00 58.65 57.16 1dt7 h GLN 16 Cb -0.09 -0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 27.01 1dt7 h GLN 16 CO -0.05 0.86 -1.60 0.66 -0.95 0.00 0.00 178.83 177.75 1dt7 n TYR 17 N -4.39 0.81 -0.34 2.96 4.02 -1.01 -4.17 117.16 115.04 1dt7 n TYR 17 Ca 0.12 0.27 -0.03 0.00 -0.01 0.00 0.00 57.90 58.25 1dt7 n TYR 17 Cb 0.02 -1.05 0.09 0.00 -0.02 0.00 0.00 39.34 38.38 1dt7 n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1dt7 h SER 18 N 0.00 1.08 -0.18 7.72 0.87 -1.10 -1.35 113.55 120.59 1dt7 h SER 18 Ca -0.21 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.20 1dt7 h SER 18 Cb 1.68 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 63.31 1dt7 h SER 18 CO 0.05 0.81 0.12 0.61 -0.53 0.00 0.00 176.83 177.88 1dt7 n GLY 19 N -1.28 2.51 0.37 5.77 0.00 -1.15 -3.30 105.19 108.10 1dt7 n GLY 19 Ca 0.10 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1dt7 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dt7 h ARG 20 N 0.27 -0.88 0.00 1.61 2.47 -1.44 -3.37 114.38 113.04 1dt7 h ARG 20 Ca 0.11 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1dt7 h ARG 20 Cb 1.30 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.82 1dt7 h ARG 20 CO 0.21 -0.58 -1.19 -1.91 0.56 0.00 0.00 179.97 177.05 1dt7 n GLU 21 N -5.16 1.36 0.00 0.04 2.13 -1.26 -4.96 120.64 112.79 1dt7 n GLU 21 Ca -0.11 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1dt7 n GLU 21 Cb 0.36 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.82 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 1.53 -0.10 2.64 8.31 0.00 -1.26 -5.04 105.19 111.27 1dt7 n GLY 22 Ca -0.00 0.00 -0.41 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 0.00 5.34 -0.11 1.61 8.00 -1.21 -4.64 116.55 125.54 1dt7 n ASP 23 Ca 0.00 -2.83 -0.13 0.00 0.71 0.00 0.00 54.79 52.54 1dt7 n ASP 23 Cb 0.00 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.12 39.48 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dt7 h LYS 24 N 5.67 0.94 0.00 -1.24 1.57 -1.95 -3.11 116.57 118.45 1dt7 h LYS 24 Ca 0.62 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1dt7 h LYS 24 Cb 0.54 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1dt7 h LYS 24 CO 1.81 1.16 -0.03 0.72 -0.57 0.00 0.00 179.45 182.55 1dt7 n HIS 25 N -4.05 0.79 -4.03 -1.35 8.25 -1.26 -4.88 115.22 108.69 1dt7 n HIS 25 Ca -0.02 0.23 -0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1dt7 n HIS 25 Cb 0.56 -0.87 -0.09 0.00 1.12 0.00 0.00 29.99 30.71 1dt7 n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1dt7 s LYS 26 N -3.09 0.85 -0.15 -0.41 -2.85 -1.18 -4.25 119.74 108.67 1dt7 s LYS 26 Ca 0.11 -1.22 -0.01 0.00 -1.00 0.00 0.00 55.97 53.85 1dt7 s LYS 26 Cb 0.13 0.28 0.04 0.00 -2.06 0.00 0.00 37.83 36.22 1dt7 s LYS 26 CO 0.59 -0.24 -0.02 -1.17 0.10 0.00 0.00 175.35 174.61 1dt7 s LEU 27 N -2.95 1.23 0.54 2.77 2.96 -0.77 -4.62 118.68 117.84 1dt7 s LEU 27 Ca 0.13 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.34 1dt7 s LEU 27 Cb 0.06 -0.71 -0.07 0.00 0.50 0.00 0.00 46.19 45.97 1dt7 s LEU 27 CO -0.05 -0.22 1.00 -0.54 -1.32 0.00 0.00 176.35 175.22 1dt7 s LYS 28 N 1.78 3.85 0.64 1.98 1.02 -1.26 -1.36 119.74 126.39 1dt7 s LYS 28 Ca 0.02 0.92 0.23 0.00 0.02 0.00 0.00 55.97 57.16 1dt7 s LYS 28 Cb -0.15 -2.12 1.19 0.00 -0.52 0.00 0.00 37.83 36.23 1dt7 s LYS 28 CO -0.07 -0.36 1.67 1.57 -0.92 0.00 0.00 175.35 177.24 1dt7 h LYS 29 N 0.63 0.00 0.00 1.68 2.10 -1.92 0.36 116.57 119.42 1dt7 h LYS 29 Ca -0.46 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1dt7 h LYS 29 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1dt7 h LYS 29 CO 0.61 0.00 -0.01 0.66 -2.00 0.00 0.00 179.45 178.72 1dt7 h SER 30 N 0.00 0.00 0.43 7.07 4.64 -1.89 -2.47 113.55 121.34 1dt7 h SER 30 Ca 0.09 -0.80 -0.10 0.00 -0.47 0.00 0.00 61.79 60.51 1dt7 h SER 30 Cb 1.27 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1dt7 h SER 30 CO -0.00 0.81 -0.46 -0.33 -0.87 0.00 0.00 176.83 175.98 1dt7 h GLU 31 N -0.80 0.03 -0.59 4.77 5.08 -0.81 -2.72 114.58 119.54 1dt7 h GLU 31 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1dt7 h GLU 31 Cb 0.81 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1dt7 h GLU 31 CO 0.00 0.49 0.39 1.25 -1.00 0.00 0.00 179.01 180.14 1dt7 h LEU 32 N 0.03 0.69 -1.00 1.33 5.85 -0.64 -2.25 115.31 119.32 1dt7 h LEU 32 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1dt7 h LEU 32 Cb 0.83 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1dt7 h LEU 32 CO 0.06 0.50 0.65 0.50 -0.34 0.00 0.00 178.44 179.81 1dt7 h LYS 33 N 0.81 1.32 -0.73 1.25 3.64 -1.12 -1.94 116.57 119.80 1dt7 h LYS 33 Ca 0.22 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1dt7 h LYS 33 Cb -0.09 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.41 1dt7 h LYS 33 CO -0.05 0.88 0.20 0.93 -2.27 0.00 0.00 179.45 179.14 1dt7 h GLU 34 N 1.36 1.16 0.01 1.90 5.08 -1.33 0.31 114.58 123.06 1dt7 h GLU 34 Ca 0.36 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1dt7 h GLU 34 Cb -0.14 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 28.95 1dt7 h GLU 34 CO -0.08 1.00 -0.00 1.25 -1.00 0.00 0.00 179.01 180.18 1dt7 h LEU 35 N 1.10 -0.01 -0.22 1.33 6.46 -0.90 -1.10 115.31 121.96 1dt7 h LEU 35 Ca 0.23 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 1dt7 h LEU 35 Cb 0.35 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1dt7 h LEU 35 CO -0.00 0.10 -0.20 0.40 -0.62 0.00 0.00 178.44 178.12 1dt7 h ILE 36 N -0.12 1.32 -0.50 4.05 2.04 -1.12 0.80 117.51 123.97 1dt7 h ILE 36 Ca -0.00 -1.36 -0.13 0.00 1.00 0.00 0.00 64.86 64.37 1dt7 h ILE 36 Cb 0.12 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1dt7 h ILE 36 CO 0.00 0.42 -0.19 0.78 0.00 0.00 0.00 178.15 179.16 1dt7 h ASN 37 N 0.23 1.03 0.02 1.72 4.21 -0.39 -3.12 115.58 119.28 1dt7 h ASN 37 Ca 0.04 -0.38 -0.36 0.00 1.21 0.00 0.00 56.30 56.81 1dt7 h ASN 37 Cb 0.75 -0.28 -0.07 0.00 -1.12 0.00 0.00 38.32 37.60 1dt7 h ASN 37 CO 0.05 1.18 -2.36 0.59 -1.29 0.00 0.00 177.43 175.61 1dt7 n ASN 38 N -4.12 0.03 0.00 5.81 5.03 -0.42 -4.19 115.26 117.40 1dt7 n ASN 38 Ca 0.00 0.01 0.13 0.00 0.87 0.00 0.00 54.58 55.60 1dt7 n ASN 38 Cb 0.45 0.98 0.61 0.00 -1.02 0.00 0.00 39.78 40.80 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1dt7 n GLU 39 N -2.75 0.05 -3.02 3.52 4.07 0.28 -3.66 120.64 119.12 1dt7 n GLU 39 Ca -0.32 0.02 -0.24 0.00 -0.06 0.00 0.00 57.16 56.57 1dt7 n GLU 39 Cb 1.15 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.99 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 -1.48 3.18 -0.31 4.31 4.77 -1.18 -4.87 117.00 121.42 1dt7 n LEU 40 Ca 0.07 -5.42 -0.04 0.00 -0.03 0.00 0.00 56.01 50.60 1dt7 n LEU 40 Cb 0.31 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1dt7 n LEU 40 CO 0.25 2.33 1.23 0.77 -1.33 0.00 0.00 177.39 180.64 1dt7 h SER 41 N 2.98 0.98 0.00 -1.43 4.64 -1.73 -3.37 113.55 115.63 1dt7 h SER 41 Ca 0.12 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1dt7 h SER 41 Cb 0.68 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1dt7 h SER 41 CO 0.70 0.71 0.00 1.41 -0.87 0.00 0.00 176.83 178.79 1dt7 n HIS 42 N -4.49 0.00 0.95 4.77 8.25 -1.26 -4.84 115.22 118.60 1dt7 n HIS 42 Ca 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1dt7 n HIS 42 Cb 0.01 0.04 0.24 0.00 1.12 0.00 0.00 29.99 31.40 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 0.00 0.05 -3.63 4.41 7.35 -1.26 -4.94 117.46 119.44 1dt7 n PHE 43 Ca 0.00 0.02 -0.10 0.00 -0.76 0.00 0.00 57.45 56.61 1dt7 n PHE 43 Cb 0.44 -0.29 -0.02 0.00 0.35 0.00 0.00 39.48 39.96 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 -3.13 -0.36 0.00 -2.13 2.96 -1.26 -5.08 118.68 109.68 1dt7 s LEU 44 Ca 0.10 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 1dt7 s LEU 44 Cb 0.17 2.59 -0.08 0.00 0.50 0.00 0.00 46.19 49.37 1dt7 s LEU 44 CO 0.71 -1.13 1.96 -0.70 -1.32 0.00 0.00 176.35 175.87 1dt7 s GLU 45 N -3.83 4.04 0.99 1.98 2.56 -1.26 -4.79 118.70 118.38 1dt7 s GLU 45 Ca 0.06 2.51 -0.12 0.00 0.00 0.00 0.00 54.97 57.42 1dt7 s GLU 45 Cb -0.03 -4.17 0.18 0.00 2.00 0.00 0.00 34.13 32.12 1dt7 s GLU 45 CO -0.04 -1.06 1.08 -1.21 -0.56 0.00 0.00 175.26 173.47 1dt7 s GLU 46 N 4.61 0.50 -0.27 4.30 2.02 -1.26 -4.97 118.70 123.62 1dt7 s GLU 46 Ca 0.88 0.91 -0.15 0.00 0.02 0.00 0.00 54.97 56.63 1dt7 s GLU 46 Cb -0.41 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1dt7 s GLU 46 CO 0.40 -2.78 0.36 0.42 0.02 0.00 0.00 175.26 173.68 1dt7 s ILE 47 N -2.76 5.18 -0.79 -1.63 -1.09 -1.26 -4.92 121.20 113.94 1dt7 s ILE 47 Ca 0.66 0.54 0.22 0.00 -2.23 0.00 0.00 60.65 59.83 1dt7 s ILE 47 Cb -0.21 -3.69 -0.20 0.00 -1.58 0.00 0.00 42.46 36.78 1dt7 s ILE 47 CO 0.59 0.16 0.91 0.29 -1.23 0.00 0.00 174.94 175.66 1dt7 n LYS 48 N 5.32 0.15 -3.95 2.79 4.76 -1.26 -4.90 118.16 121.06 1dt7 n LYS 48 Ca -0.09 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.22 1dt7 n LYS 48 Cb 0.51 -1.52 -0.12 0.00 -1.84 0.00 0.00 35.03 32.06 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 -3.11 0.24 0.51 1.97 2.02 -1.26 -5.02 118.70 114.04 1dt7 s GLU 49 Ca 0.05 -0.46 0.29 0.00 0.02 0.00 0.00 54.97 54.87 1dt7 s GLU 49 Cb 0.16 0.08 1.29 0.00 0.10 0.00 0.00 34.13 35.76 1dt7 s GLU 49 CO 0.85 -0.04 1.97 0.37 0.02 0.00 0.00 175.26 178.43 1dt7 h GLN 50 N 5.00 0.00 -0.84 1.61 4.15 -2.01 -2.87 115.11 120.15 1dt7 h GLN 50 Ca -0.30 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.13 1dt7 h GLN 50 Cb 1.21 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 1dt7 h GLN 50 CO 0.43 0.12 0.56 1.05 -1.93 0.00 0.00 178.83 179.06 1dt7 h GLU 51 N 0.00 1.10 -0.91 1.69 4.11 -2.00 -0.97 114.58 117.61 1dt7 h GLU 51 Ca -0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1dt7 h GLU 51 Cb 0.52 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1dt7 h GLU 51 CO 0.02 0.73 0.60 0.28 0.07 0.00 0.00 179.01 180.71 1dt7 h VAL 52 N 1.13 1.23 -0.53 -1.06 2.07 -1.94 -1.70 116.25 115.46 1dt7 h VAL 52 Ca 0.31 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1dt7 h VAL 52 Cb -0.12 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.52 1dt7 h VAL 52 CO -0.07 0.22 0.01 0.58 0.02 0.00 0.00 177.57 178.33 1dt7 h VAL 53 N 1.23 1.25 -0.38 2.57 2.07 -1.32 -2.01 116.25 119.66 1dt7 h VAL 53 Ca 0.33 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 1dt7 h VAL 53 Cb -0.14 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1dt7 h VAL 53 CO -0.07 0.38 -0.16 0.44 0.02 0.00 0.00 177.57 178.18 1dt7 h ASP 54 N 0.83 0.70 -0.52 0.57 3.32 -0.71 -0.43 116.42 120.17 1dt7 h ASP 54 Ca 0.16 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 1dt7 h ASP 54 Cb 0.48 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1dt7 h ASP 54 CO 0.02 0.87 -0.16 0.50 -1.72 0.00 0.00 179.24 178.74 1dt7 h LYS 55 N 0.63 1.03 -0.31 3.56 3.64 -1.15 -1.76 116.57 122.21 1dt7 h LYS 55 Ca 0.10 -0.41 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1dt7 h LYS 55 Cb 0.63 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1dt7 h LYS 55 CO 0.04 1.10 -0.12 0.28 -2.27 0.00 0.00 179.45 178.48 1dt7 h VAL 56 N 0.90 1.23 0.00 2.00 2.07 -1.05 -2.05 116.25 119.35 1dt7 h VAL 56 Ca 0.13 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1dt7 h VAL 56 Cb 0.74 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1dt7 h VAL 56 CO 0.06 0.34 -0.43 0.24 0.02 0.00 0.00 177.57 177.80 1dt7 h MET 57 N 0.48 0.00 -0.72 1.57 2.86 -0.49 0.07 114.93 118.70 1dt7 h MET 57 Ca 0.09 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1dt7 h MET 57 Cb 0.50 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 57 CO 0.03 0.43 0.47 1.49 1.06 0.00 0.00 176.91 180.40 1dt7 h GLU 58 N 0.00 0.71 0.07 1.72 4.81 -0.58 3.31 114.58 124.62 1dt7 h GLU 58 Ca -0.00 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1dt7 h GLU 58 Cb 0.78 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.01 1dt7 h GLU 58 CO 0.06 0.47 -0.50 1.15 -0.73 0.00 0.00 179.01 179.46 1dt7 h THR 59 N 0.73 1.58 0.00 0.32 2.02 -1.26 -3.35 112.91 112.96 1dt7 h THR 59 Ca 0.31 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1dt7 h THR 59 Cb 0.28 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1dt7 h THR 59 CO -0.10 0.65 -0.60 0.18 0.37 0.00 0.00 175.52 176.01 1dt7 n LEU 60 N -4.32 0.69 -3.43 2.58 4.77 -0.09 -4.24 117.00 112.96 1dt7 n LEU 60 Ca -0.12 0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.69 1dt7 n LEU 60 Cb 0.67 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1dt7 n LEU 60 CO 0.43 -0.05 3.21 -0.67 -1.33 0.00 0.00 177.39 178.98 1dt7 n ASP 61 N -2.08 7.36 -0.38 -1.43 2.03 1.10 -4.59 116.55 118.56 1dt7 n ASP 61 Ca 0.03 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1dt7 n ASP 61 Cb 0.43 -1.59 0.14 0.00 -0.72 0.00 0.00 41.12 39.38 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 5.29 1.25 -0.00 -0.67 5.08 -1.80 0.11 114.58 123.84 1dt7 h GLU 62 Ca 0.79 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1dt7 h GLU 62 Cb 0.38 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1dt7 h GLU 62 CO 1.82 0.83 -0.04 -0.40 -1.00 0.00 0.00 179.01 180.21 1dt7 n ASP 63 N -4.43 0.33 -2.25 1.42 5.75 -1.26 -4.90 116.55 111.20 1dt7 n ASP 63 Ca 0.14 -0.69 -0.17 0.00 -0.01 0.00 0.00 54.79 54.06 1dt7 n ASP 63 Cb 0.09 -0.09 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 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 1.19 -0.22 0.69 6.12 0.00 0.40 -4.90 105.19 108.47 1dt7 n GLY 64 Ca 0.18 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.37 2.48 -0.05 1.61 5.75 -1.26 -4.93 116.55 118.77 1dt7 n ASP 65 Ca -0.09 -1.72 -0.01 0.00 -0.01 0.00 0.00 54.79 52.96 1dt7 n ASP 65 Cb 0.60 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.93 0.46 2.76 6.12 0.00 -1.26 -4.98 105.19 109.21 1dt7 n GLY 66 Ca 0.10 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1dt7 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dt7 s GLU 67 N -0.71 -0.04 -0.17 1.61 2.12 -1.26 -2.97 118.70 117.28 1dt7 s GLU 67 Ca 0.00 0.21 -0.06 0.00 0.36 0.00 0.00 54.97 55.49 1dt7 s GLU 67 Cb 0.00 -0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 1dt7 s GLU 67 CO 0.00 -0.19 0.02 0.00 -0.54 0.00 0.00 175.26 174.55 1dt7 s ASP 69 N 0.30 5.08 0.40 0.00 1.01 -1.26 -1.85 116.67 120.35 1dt7 s ASP 69 Ca 0.01 1.05 0.17 0.00 0.71 0.00 0.00 52.55 54.49 1dt7 s ASP 69 Cb -0.13 -1.76 1.07 0.00 1.01 0.00 0.00 42.92 43.10 1dt7 s ASP 69 CO 0.01 -1.57 1.82 0.15 0.21 0.00 0.00 175.17 175.79 1dt7 h PHE 70 N -0.81 0.62 -0.30 4.23 3.57 -1.91 0.37 116.94 122.71 1dt7 h PHE 70 Ca -0.46 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 60.91 1dt7 h PHE 70 Cb 1.28 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1dt7 h PHE 70 CO 0.45 0.12 -0.43 -0.56 -2.23 0.00 0.00 178.31 175.66 1dt7 h GLN 71 N 0.43 0.74 -0.33 1.11 3.07 -1.92 -0.64 115.11 117.58 1dt7 h GLN 71 Ca 0.52 -0.40 -0.14 0.00 0.09 0.00 0.00 58.65 58.72 1dt7 h GLN 71 Cb 1.28 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.86 1dt7 h GLN 71 CO -0.23 1.02 -0.36 0.93 0.09 0.00 0.00 178.83 180.28 1dt7 h GLU 72 N 0.60 0.82 0.00 0.06 5.08 -0.72 -2.80 114.58 117.62 1dt7 h GLU 72 Ca 0.04 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 1dt7 h GLU 72 Cb 0.98 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1dt7 h GLU 72 CO 0.09 1.08 -0.32 0.35 -1.00 0.00 0.00 179.01 179.22 1dt7 h PHE 73 N 0.60 0.00 -0.74 4.33 3.57 -0.85 -2.65 116.94 121.21 1dt7 h PHE 73 Ca 0.05 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1dt7 h PHE 73 Cb 0.95 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1dt7 h PHE 73 CO 0.07 0.32 0.49 0.52 -2.23 0.00 0.00 178.31 177.48 1dt7 h MET 74 N 0.00 0.97 -0.17 1.11 2.86 -0.84 -1.37 114.93 117.49 1dt7 h MET 74 Ca -0.00 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1dt7 h MET 74 Cb 0.75 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1dt7 h MET 74 CO 0.04 0.64 -0.45 0.00 1.06 0.00 0.00 176.91 178.20 1dt7 h ALA 75 N 1.54 0.90 -0.94 6.32 0.00 -1.42 -3.04 119.26 122.61 1dt7 h ALA 75 Ca 0.27 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1dt7 h ALA 75 Cb -0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1dt7 h ALA 75 CO -0.06 0.65 0.56 0.35 0.00 0.00 0.00 179.25 180.75 1dt7 h PHE 76 N 0.35 1.25 -0.69 0.00 3.57 -1.26 -2.35 116.94 117.81 1dt7 h PHE 76 Ca 0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1dt7 h PHE 76 Cb 0.93 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1dt7 h PHE 76 CO 0.03 0.83 0.41 0.28 -2.23 0.00 0.00 178.31 177.64 1dt7 h VAL 77 N 1.30 1.20 -0.59 1.41 2.07 -1.36 -1.91 116.25 118.37 1dt7 h VAL 77 Ca 0.34 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1dt7 h VAL 77 Cb -0.05 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 1dt7 h VAL 77 CO -0.06 0.21 -0.04 -1.28 0.02 0.00 0.00 177.57 176.42 1dt7 h SER 78 N 0.95 1.06 -0.24 0.57 0.87 -1.43 -1.59 113.55 113.75 1dt7 h SER 78 Ca 0.25 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1dt7 h SER 78 Cb -0.03 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 1dt7 h SER 78 CO -0.05 1.12 0.12 0.24 -0.53 0.00 0.00 176.83 177.73 1dt7 h MET 79 N 0.97 0.34 -0.21 2.24 2.07 -1.12 -2.28 114.93 116.94 1dt7 h MET 79 Ca 0.16 -0.05 -0.10 0.00 -2.07 0.00 0.00 59.70 57.64 1dt7 h MET 79 Cb 0.60 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 1dt7 h MET 79 CO 0.04 0.34 -0.31 0.28 1.07 0.00 0.00 176.91 178.33 1dt7 h VAL 80 N 0.26 1.28 -0.95 -2.22 2.07 -1.34 -2.72 116.25 112.62 1dt7 h VAL 80 Ca 0.08 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.25 1dt7 h VAL 80 Cb 0.11 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1dt7 h VAL 80 CO -0.01 0.43 0.63 0.74 0.02 0.00 0.00 177.57 179.37 1dt7 h THR 81 N 0.38 1.24 -1.01 2.57 2.02 -1.01 -0.95 112.91 116.16 1dt7 h THR 81 Ca 0.05 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1dt7 h THR 81 Cb 0.74 -0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 1dt7 h THR 81 CO 0.06 0.23 0.66 0.74 0.37 0.00 0.00 175.52 177.58 1dt7 h THR 82 N 1.29 1.20 -1.00 3.16 2.02 -1.09 -0.70 112.91 117.78 1dt7 h THR 82 Ca 0.35 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1dt7 h THR 82 Cb -0.15 -0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 65.99 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 1.40 1.29 -0.46 6.16 0.00 -1.15 -1.43 119.26 125.07 1dt7 h ALA 83 Ca 0.39 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1dt7 h ALA 83 Cb -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 1dt7 h ALA 83 CO -0.11 0.66 0.31 0.00 0.00 0.00 0.00 179.25 180.11 1dt7 h HIS 85 N 0.56 1.18 -0.48 0.00 6.17 -0.94 0.61 115.15 122.24 1dt7 h HIS 85 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.29 1dt7 h HIS 85 Cb 0.04 -0.40 -0.02 0.00 2.52 0.00 0.00 27.41 29.54 1dt7 h HIS 85 CO -0.00 0.74 0.31 1.49 0.71 0.00 0.00 177.93 181.18 1dt7 h GLU 86 N 1.27 0.63 -0.26 5.26 4.81 -1.26 -2.59 114.58 122.45 1dt7 h GLU 86 Ca 0.34 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.33 1dt7 h GLU 86 Cb -0.15 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.10 1dt7 h GLU 86 CO -0.07 0.43 -0.61 0.74 -0.73 0.00 0.00 179.01 178.77 1dt7 h PHE 87 N 0.64 1.11 -1.79 0.92 0.04 -1.26 -3.28 116.94 113.32 1dt7 h PHE 87 Ca 0.17 -0.42 -0.77 0.00 2.80 0.00 0.00 57.97 59.75 1dt7 h PHE 87 Cb -0.06 -0.20 -0.19 0.00 2.20 0.00 0.00 35.95 37.70 1dt7 h PHE 87 CO -0.04 1.25 1.70 1.19 -0.60 0.00 0.00 178.31 181.82 1dt7 n PHE 88 N -3.99 2.64 -2.60 -0.55 3.01 0.21 -4.93 117.46 111.24 1dt7 n PHE 88 Ca -0.05 -2.70 -0.41 0.00 1.01 0.00 0.00 57.45 55.29 1dt7 n PHE 88 Cb 0.66 -1.61 -0.03 0.00 -0.01 0.00 0.00 39.48 38.49 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1dt7 s GLU 89 N -1.75 3.39 0.15 -1.08 -1.05 -1.10 -4.75 118.70 112.51 1dt7 s GLU 89 Ca 0.42 -0.78 -0.14 0.00 -0.15 0.00 0.00 54.97 54.33 1dt7 s GLU 89 Cb 0.14 -4.76 0.03 0.00 -0.44 0.00 0.00 34.13 29.09 1dt7 s GLU 89 CO -0.03 -2.13 1.67 1.25 0.95 0.00 0.00 175.26 176.97 1dt7 h HIS 90 N 9.81 0.80 0.00 4.83 -0.00 -1.92 -3.52 115.15 125.16 1dt7 h HIS 90 Ca -0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1dt7 h HIS 90 Cb 1.03 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.21 1dt7 h HIS 90 CO 1.19 0.70 0.00 0.39 -0.00 0.00 0.00 177.93 180.21