#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 -5.21 0.00 7.83 7.64 -1.26 -4.78 113.62 117.85 1dt7 n SER 1 Ca 0.00 0.02 0.05 0.00 1.01 0.00 0.00 58.87 59.96 1dt7 n SER 1 Cb 0.00 -4.35 0.32 0.00 -1.01 0.00 0.00 64.21 59.17 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1dt7 n GLU 2 N -3.04 0.74 0.26 1.43 1.02 -1.26 -3.83 120.64 115.96 1dt7 n GLU 2 Ca -0.20 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.06 1dt7 n GLU 2 Cb 0.65 -1.23 0.49 0.00 -0.02 0.00 0.00 31.44 31.34 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 -0.37 -4.62 5.85 -2.00 0.61 115.31 114.78 1dt7 h LEU 3 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1dt7 h LEU 3 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1dt7 h LEU 3 CO 0.00 0.00 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.36 1dt7 h GLU 4 N 0.00 0.94 -0.15 1.25 5.08 -1.97 -2.43 114.58 117.29 1dt7 h GLU 4 Ca 0.06 -0.51 -0.22 0.00 -1.00 0.00 0.00 59.36 57.69 1dt7 h GLU 4 Cb 1.37 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1dt7 h GLU 4 CO -0.00 1.16 -0.78 0.87 -1.00 0.00 0.00 179.01 179.26 1dt7 h LYS 5 N 0.76 0.78 -0.42 2.33 6.56 -0.09 -3.01 116.57 123.47 1dt7 h LYS 5 Ca 0.05 -0.64 -0.07 0.00 -1.06 0.00 0.00 60.65 58.94 1dt7 h LYS 5 Cb 1.01 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.79 1dt7 h LYS 5 CO 0.10 1.25 0.01 0.00 -2.06 0.00 0.00 179.45 178.74 1dt7 h ALA 6 N 0.57 0.57 -0.76 3.86 0.00 -1.48 -1.87 119.26 120.15 1dt7 h ALA 6 Ca -0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1dt7 h ALA 6 Cb 1.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1dt7 h ALA 6 CO 0.16 0.35 0.25 0.52 0.00 0.00 0.00 179.25 180.53 1dt7 h MET 7 N 0.58 1.17 -0.54 0.00 2.86 -1.51 -2.47 114.93 115.04 1dt7 h MET 7 Ca 0.12 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1dt7 h MET 7 Cb 0.47 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1dt7 h MET 7 CO 0.02 0.99 0.05 0.28 1.06 0.00 0.00 176.91 179.30 1dt7 h VAL 8 N 1.13 1.24 -0.27 -2.22 2.07 -1.39 -2.93 116.25 113.89 1dt7 h VAL 8 Ca 0.25 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 1dt7 h VAL 8 Cb 0.29 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1dt7 h VAL 8 CO -0.01 0.35 -0.27 0.00 0.02 0.00 0.00 177.57 177.67 1dt7 h ALA 9 N 1.23 1.05 -1.01 1.67 0.00 -0.90 -2.15 119.26 119.14 1dt7 h ALA 9 Ca 0.16 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1dt7 h ALA 9 Cb 0.42 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1dt7 h ALA 9 CO 0.01 0.58 0.67 -0.07 0.00 0.00 0.00 179.25 180.44 1dt7 h LEU 10 N 0.46 1.15 -0.40 0.00 3.38 -1.27 -2.15 115.31 116.48 1dt7 h LEU 10 Ca 0.06 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1dt7 h LEU 10 Cb 0.70 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1dt7 h LEU 10 CO 0.05 0.83 -0.37 0.40 0.09 0.00 0.00 178.44 179.45 1dt7 h ILE 11 N 1.36 1.27 -0.46 1.22 2.04 -1.49 -2.80 117.51 118.65 1dt7 h ILE 11 Ca 0.37 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 1dt7 h ILE 11 Cb -0.15 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1dt7 h ILE 11 CO -0.08 0.52 0.28 0.44 0.00 0.00 0.00 178.15 179.30 1dt7 h ASP 12 N 0.78 0.55 -0.36 1.72 3.32 -0.75 -2.21 116.42 119.47 1dt7 h ASP 12 Ca 0.07 -0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 1dt7 h ASP 12 Cb 0.96 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1dt7 h ASP 12 CO 0.09 0.45 -0.41 0.58 -1.72 0.00 0.00 179.24 178.23 1dt7 h VAL 13 N 0.61 1.27 -1.00 -1.35 2.07 -1.52 -3.02 116.25 113.31 1dt7 h VAL 13 Ca 0.17 -1.59 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1dt7 h VAL 13 Cb -0.00 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1dt7 h VAL 13 CO -0.03 0.53 0.66 0.15 0.02 0.00 0.00 177.57 178.90 1dt7 h PHE 14 N 0.75 1.24 -0.08 1.57 3.04 -1.33 -1.14 116.94 121.00 1dt7 h PHE 14 Ca 0.05 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 1dt7 h PHE 14 Cb 1.01 -0.42 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 1dt7 h PHE 14 CO 0.06 0.74 -0.19 1.25 -2.02 0.00 0.00 178.31 178.15 1dt7 h HIS 15 N 1.30 0.14 -0.87 0.41 2.76 -1.29 -1.60 115.15 115.99 1dt7 h HIS 15 Ca 0.39 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.55 1dt7 h HIS 15 Cb -0.05 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 1dt7 h HIS 15 CO -0.00 0.32 0.58 0.37 -1.30 0.00 0.00 177.93 177.90 1dt7 h GLN 16 N 0.13 1.15 0.06 5.26 5.75 -1.08 -2.95 115.11 123.42 1dt7 h GLN 16 Ca 0.02 -0.07 -0.34 0.00 -0.15 0.00 0.00 58.65 58.11 1dt7 h GLN 16 Cb 0.42 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1dt7 h GLN 16 CO 0.03 0.76 -1.98 0.66 -2.65 0.00 0.00 178.83 175.65 1dt7 n TYR 17 N -4.47 0.95 -0.36 3.99 4.02 -1.08 -3.53 117.16 116.68 1dt7 n TYR 17 Ca 0.09 0.25 -0.02 0.00 -0.01 0.00 0.00 57.90 58.21 1dt7 n TYR 17 Cb 0.01 -1.14 0.10 0.00 -0.02 0.00 0.00 39.34 38.29 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1dt7 h SER 18 N 0.03 1.12 1.08 7.72 0.02 -1.32 -1.77 113.55 120.44 1dt7 h SER 18 Ca -0.40 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1dt7 h SER 18 Cb 2.03 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1dt7 h SER 18 CO 0.06 0.81 -0.29 0.61 -1.14 0.00 0.00 176.83 176.88 1dt7 n GLY 19 N -1.37 -1.52 0.16 -3.77 0.00 -1.12 -3.58 105.19 93.99 1dt7 n GLY 19 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 0.47 0.00 1.61 1.12 -1.36 -3.38 114.38 112.84 1dt7 h ARG 20 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1dt7 h ARG 20 Cb 0.69 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1dt7 h ARG 20 CO 0.00 0.33 0.00 -1.91 -3.11 0.00 0.00 179.97 175.28 1dt7 n GLU 21 N -4.83 0.00 0.00 0.20 2.13 -1.24 -5.05 120.64 111.86 1dt7 n GLU 21 Ca -0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1dt7 n GLU 21 Cb 0.03 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 31.37 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 2.32 0.00 3.53 8.31 0.00 -1.25 -5.06 105.19 113.04 1dt7 n GLY 22 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1dt7 n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dt7 s ASP 23 N -0.42 6.32 0.14 1.61 1.01 -1.24 -4.84 116.67 119.25 1dt7 s ASP 23 Ca 0.00 -0.99 -0.11 0.00 0.71 0.00 0.00 52.55 52.16 1dt7 s ASP 23 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1dt7 s ASP 23 CO 0.00 -1.61 1.47 0.11 0.21 0.00 0.00 175.17 175.34 1dt7 h LYS 24 N 9.79 0.94 -0.42 8.23 1.57 -1.95 -3.22 116.57 131.51 1dt7 h LYS 24 Ca -0.08 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1dt7 h LYS 24 Cb 1.04 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1dt7 h LYS 24 CO 1.30 1.16 0.00 0.72 -0.57 0.00 0.00 179.45 182.07 1dt7 n HIS 25 N -4.05 0.54 -3.82 -1.35 8.25 -1.26 -4.73 115.22 108.79 1dt7 n HIS 25 Ca -0.02 -0.27 -0.12 0.00 -0.26 0.00 0.00 57.72 57.04 1dt7 n HIS 25 Cb 0.56 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.57 1dt7 n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1dt7 s LYS 26 N -1.46 0.54 -0.05 -0.41 2.20 -1.22 -3.68 119.74 115.67 1dt7 s LYS 26 Ca 0.40 -0.28 0.05 0.00 -0.36 0.00 0.00 55.97 55.78 1dt7 s LYS 26 Cb 0.23 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 1dt7 s LYS 26 CO 0.32 -0.14 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.46 1dt7 s LEU 27 N -1.27 2.35 0.16 5.43 1.43 -0.66 -4.50 118.68 121.63 1dt7 s LEU 27 Ca -0.13 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 1dt7 s LEU 27 Cb -0.06 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1dt7 s LEU 27 CO 0.02 0.29 0.24 -0.54 0.23 0.00 0.00 176.35 176.60 1dt7 s LYS 28 N -0.43 3.25 0.63 1.70 1.02 -1.26 -0.96 119.74 123.69 1dt7 s LYS 28 Ca 0.05 -0.71 0.25 0.00 0.02 0.00 0.00 55.97 55.58 1dt7 s LYS 28 Cb -0.12 -2.84 1.30 0.00 -0.52 0.00 0.00 37.83 35.65 1dt7 s LYS 28 CO 0.01 0.50 1.73 1.57 -0.92 0.00 0.00 175.35 178.25 1dt7 h LYS 29 N 2.13 0.00 0.02 1.68 2.10 -1.85 0.51 116.57 121.16 1dt7 h LYS 29 Ca -0.48 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1dt7 h LYS 29 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1dt7 h LYS 29 CO 0.66 0.00 -0.01 0.77 -2.00 0.00 0.00 179.45 178.87 1dt7 h SER 30 N 0.00 -0.02 -0.19 7.07 0.02 -1.92 -2.32 113.55 116.19 1dt7 h SER 30 Ca 0.13 -0.73 -0.09 0.00 -0.84 0.00 0.00 61.79 60.26 1dt7 h SER 30 Cb 1.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1dt7 h SER 30 CO -0.00 0.74 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.93 1dt7 h GLU 31 N -0.81 0.61 -1.00 3.45 5.08 -0.71 -2.57 114.58 118.64 1dt7 h GLU 31 Ca -0.00 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1dt7 h GLU 31 Cb 0.74 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1dt7 h GLU 31 CO 0.00 0.76 0.66 1.25 -1.00 0.00 0.00 179.01 180.68 1dt7 h LEU 32 N 0.55 1.15 -1.01 1.33 5.85 -0.25 -1.93 115.31 121.00 1dt7 h LEU 32 Ca 0.09 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1dt7 h LEU 32 Cb 0.61 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1dt7 h LEU 32 CO 0.04 0.83 0.67 0.50 -0.34 0.00 0.00 178.44 180.15 1dt7 h LYS 33 N 1.36 1.33 -0.30 1.25 3.64 -0.99 -1.74 116.57 121.11 1dt7 h LYS 33 Ca 0.37 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1dt7 h LYS 33 Cb -0.16 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.35 1dt7 h LYS 33 CO -0.08 0.88 -0.28 1.49 -2.27 0.00 0.00 179.45 179.19 1dt7 h GLU 34 N 1.37 0.61 -0.00 1.90 4.57 -1.30 0.47 114.58 122.19 1dt7 h GLU 34 Ca 0.37 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1dt7 h GLU 34 Cb -0.16 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1dt7 h GLU 34 CO -0.08 0.82 0.00 1.25 -1.18 0.00 0.00 179.01 179.82 1dt7 h LEU 35 N 0.53 0.00 -0.02 1.64 7.12 -0.71 -0.92 115.31 122.95 1dt7 h LEU 35 Ca 0.07 -0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 1dt7 h LEU 35 Cb 0.75 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1dt7 h LEU 35 CO 0.06 0.04 -0.13 0.40 -0.13 0.00 0.00 178.44 178.68 1dt7 h ILE 36 N -0.03 1.52 -0.51 4.05 2.04 -1.17 -1.60 117.51 121.80 1dt7 h ILE 36 Ca 0.00 -1.70 -0.13 0.00 1.00 0.00 0.00 64.86 64.03 1dt7 h ILE 36 Cb 0.04 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1dt7 h ILE 36 CO -0.00 0.46 -0.17 -1.13 0.00 0.00 0.00 178.15 177.31 1dt7 h ASN 37 N -0.51 1.04 0.07 1.72 -0.73 -0.09 -2.99 115.58 114.08 1dt7 h ASN 37 Ca -0.01 -0.38 -0.37 0.00 1.87 0.00 0.00 56.30 57.41 1dt7 h ASN 37 Cb 0.82 -0.28 -0.06 0.00 0.27 0.00 0.00 38.32 39.06 1dt7 h ASN 37 CO 0.03 1.18 -2.31 0.59 -0.37 0.00 0.00 177.43 176.55 1dt7 n ASN 38 N -4.13 1.25 0.01 1.15 5.03 -0.36 -3.76 115.26 114.45 1dt7 n ASN 38 Ca 0.01 0.01 0.14 0.00 0.87 0.00 0.00 54.58 55.60 1dt7 n ASN 38 Cb 0.44 0.02 0.60 0.00 -1.02 0.00 0.00 39.78 39.82 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 -3.10 0.02 -2.85 3.52 2.13 -0.60 -3.83 120.64 115.92 1dt7 n GLU 39 Ca -0.37 0.02 -0.17 0.00 0.66 0.00 0.00 57.16 57.30 1dt7 n GLU 39 Cb 1.06 -1.52 -0.00 0.00 0.27 0.00 0.00 31.44 31.24 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1dt7 n LEU 40 N -1.56 2.10 -0.33 4.31 4.77 -1.13 -4.87 117.00 120.30 1dt7 n LEU 40 Ca 0.07 -4.64 -0.04 0.00 -0.03 0.00 0.00 56.01 51.37 1dt7 n LEU 40 Cb 0.35 0.27 0.09 0.00 -2.33 0.00 0.00 43.42 41.79 1dt7 n LEU 40 CO 0.27 2.02 1.17 0.77 -1.33 0.00 0.00 177.39 180.28 1dt7 h SER 41 N 2.94 1.13 0.00 -1.43 4.64 -1.66 -3.33 113.55 115.84 1dt7 h SER 41 Ca 0.06 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1dt7 h SER 41 Cb 0.98 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1dt7 h SER 41 CO 0.59 0.92 -0.42 1.57 -0.87 0.00 0.00 176.83 178.62 1dt7 n HIS 42 N -4.32 0.00 -0.25 4.77 -0.00 -1.26 -4.41 115.22 109.74 1dt7 n HIS 42 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.74 1dt7 n HIS 42 Cb 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.14 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1dt7 h PHE 43 N 0.00 1.20 -3.28 1.57 3.57 -1.90 -3.45 116.94 114.65 1dt7 h PHE 43 Ca 0.00 -0.16 -0.39 0.00 3.53 0.00 0.00 57.97 60.95 1dt7 h PHE 43 Cb 0.00 -0.33 -0.14 0.00 2.79 0.00 0.00 35.95 38.27 1dt7 h PHE 43 CO 0.00 0.99 -0.64 -1.17 -2.23 0.00 0.00 178.31 175.26 1dt7 s LEU 44 N -9.50 2.11 -0.46 0.59 2.96 -1.25 -5.05 118.68 108.08 1dt7 s LEU 44 Ca -0.12 -1.27 -0.32 0.00 -0.22 0.00 0.00 54.13 52.20 1dt7 s LEU 44 Cb 0.15 -0.26 -0.11 0.00 0.50 0.00 0.00 46.19 46.47 1dt7 s LEU 44 CO 0.85 -0.56 2.33 1.21 -1.32 0.00 0.00 176.35 178.86 1dt7 n GLU 45 N -0.48 1.01 -2.08 1.98 2.13 -1.26 -4.65 120.64 117.29 1dt7 n GLU 45 Ca -0.04 0.20 -0.41 0.00 0.66 0.00 0.00 57.16 57.58 1dt7 n GLU 45 Cb 0.65 -2.66 -0.02 0.00 0.27 0.00 0.00 31.44 29.68 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 7.16 4.32 0.16 5.31 2.12 -1.25 -4.94 118.70 131.58 1dt7 s GLU 46 Ca 1.10 2.26 -0.27 0.00 0.36 0.00 0.00 54.97 58.41 1dt7 s GLU 46 Cb -0.69 -3.05 -0.07 0.00 0.26 0.00 0.00 34.13 30.57 1dt7 s GLU 46 CO 0.42 -0.23 0.86 0.42 -0.54 0.00 0.00 175.26 176.18 1dt7 s ILE 47 N -1.14 4.37 -0.13 -3.70 -1.09 -1.26 -4.94 121.20 113.30 1dt7 s ILE 47 Ca 0.49 1.87 0.11 0.00 -2.23 0.00 0.00 60.65 60.90 1dt7 s ILE 47 Cb -0.40 -4.22 -0.16 0.00 -1.58 0.00 0.00 42.46 36.09 1dt7 s ILE 47 CO 0.54 0.45 0.29 0.29 -1.23 0.00 0.00 174.94 175.28 1dt7 n LYS 48 N 1.99 1.08 -4.13 2.79 4.01 -1.26 -4.86 118.16 117.79 1dt7 n LYS 48 Ca -0.03 -0.08 -0.15 0.00 -0.51 0.00 0.00 58.31 57.55 1dt7 n LYS 48 Cb 0.49 -1.20 -0.14 0.00 -0.51 0.00 0.00 35.03 33.67 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 -2.58 0.45 0.60 1.97 2.02 -1.26 -5.01 118.70 114.89 1dt7 s GLU 49 Ca -0.02 -0.33 0.38 0.00 0.02 0.00 0.00 54.97 55.02 1dt7 s GLU 49 Cb 0.07 -0.38 1.83 0.00 0.10 0.00 0.00 34.13 35.76 1dt7 s GLU 49 CO 0.45 0.10 2.16 -0.56 0.02 0.00 0.00 175.26 177.43 1dt7 h GLN 50 N 5.64 0.00 -0.90 1.61 -0.00 -2.01 -2.53 115.11 116.92 1dt7 h GLN 50 Ca -0.30 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.36 1dt7 h GLN 50 Cb 1.19 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.63 1dt7 h GLN 50 CO 0.48 0.01 0.60 1.05 -0.00 0.00 0.00 178.83 180.96 1dt7 h GLU 51 N 0.00 1.18 -0.93 0.06 -0.00 -1.99 -0.86 114.58 112.03 1dt7 h GLU 51 Ca -0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1dt7 h GLU 51 Cb 0.28 -0.27 -0.05 0.00 -0.00 0.00 0.00 28.75 28.72 1dt7 h GLU 51 CO 0.00 0.78 0.62 0.28 -0.00 0.00 0.00 179.01 180.69 1dt7 h VAL 52 N 1.21 1.24 -0.10 -1.06 2.07 -1.88 -0.57 116.25 117.17 1dt7 h VAL 52 Ca 0.33 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1dt7 h VAL 52 Cb -0.14 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.49 1dt7 h VAL 52 CO -0.07 0.23 -0.33 0.58 0.02 0.00 0.00 177.57 178.00 1dt7 h VAL 53 N 1.26 1.27 -0.36 2.57 2.07 -1.32 -1.78 116.25 119.96 1dt7 h VAL 53 Ca 0.34 -1.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 1dt7 h VAL 53 Cb -0.15 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1dt7 h VAL 53 CO -0.07 0.38 -0.26 -0.78 0.02 0.00 0.00 177.57 176.86 1dt7 h ASP 54 N 0.16 0.76 -0.37 0.57 1.82 -0.10 0.25 116.42 119.52 1dt7 h ASP 54 Ca 0.02 -0.28 -0.17 0.00 -0.39 0.00 0.00 57.03 56.21 1dt7 h ASP 54 Cb 0.67 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 1dt7 h ASP 54 CO 0.05 0.98 -0.42 0.50 -1.61 0.00 0.00 179.24 178.74 1dt7 h LYS 55 N 0.64 0.93 -0.08 0.28 3.64 -1.07 -2.51 116.57 118.40 1dt7 h LYS 55 Ca 0.08 -0.51 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 1dt7 h LYS 55 Cb 0.77 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1dt7 h LYS 55 CO 0.06 1.17 -0.26 0.28 -2.27 0.00 0.00 179.45 178.43 1dt7 h VAL 56 N 0.75 1.23 -0.58 2.00 2.07 -1.13 -1.83 116.25 118.76 1dt7 h VAL 56 Ca 0.05 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1dt7 h VAL 56 Cb 1.02 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1dt7 h VAL 56 CO 0.10 0.31 0.23 0.24 0.02 0.00 0.00 177.57 178.48 1dt7 h MET 57 N 0.13 0.85 -1.01 1.57 2.86 -0.51 0.38 114.93 119.20 1dt7 h MET 57 Ca 0.02 -0.13 0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1dt7 h MET 57 Cb 0.54 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.98 1dt7 h MET 57 CO 0.04 0.70 0.65 1.49 1.06 0.00 0.00 176.91 180.84 1dt7 h GLU 58 N 0.84 1.08 0.06 1.72 4.81 -1.07 3.64 114.58 125.66 1dt7 h GLU 58 Ca 0.20 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 1dt7 h GLU 58 Cb 0.17 -0.24 0.02 0.00 0.63 0.00 0.00 28.75 29.32 1dt7 h GLU 58 CO -0.02 0.71 -0.63 1.15 -0.73 0.00 0.00 179.01 179.49 1dt7 h THR 59 N 1.11 1.50 0.00 0.32 2.02 -1.17 -3.35 112.91 113.34 1dt7 h THR 59 Ca 0.46 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1dt7 h THR 59 Cb 0.29 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1dt7 h THR 59 CO -0.21 0.65 -0.75 0.18 0.37 0.00 0.00 175.52 175.76 1dt7 n LEU 60 N -4.22 0.68 -3.37 2.58 4.77 0.12 -4.34 117.00 113.21 1dt7 n LEU 60 Ca -0.12 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.63 1dt7 n LEU 60 Cb 0.72 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1dt7 n LEU 60 CO 0.46 -0.03 3.26 -0.67 -1.33 0.00 0.00 177.39 179.08 1dt7 n ASP 61 N -2.09 8.21 -0.35 -1.43 -0.08 1.20 -4.56 116.55 117.46 1dt7 n ASP 61 Ca 0.03 -2.64 -0.02 0.00 -1.51 0.00 0.00 54.79 50.65 1dt7 n ASP 61 Cb 0.44 -1.55 0.13 0.00 2.34 0.00 0.00 41.12 42.48 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 5.08 1.27 0.00 -0.67 5.08 -1.79 0.22 114.58 123.77 1dt7 h GLU 62 Ca 0.83 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1dt7 h GLU 62 Cb 0.32 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1dt7 h GLU 62 CO 1.78 0.85 0.00 -0.25 -1.00 0.00 0.00 179.01 180.38 1dt7 n ASP 63 N -4.38 0.17 -2.24 1.42 8.00 -1.26 -4.87 116.55 113.39 1dt7 n ASP 63 Ca 0.11 0.53 -0.20 0.00 0.71 0.00 0.00 54.79 55.95 1dt7 n ASP 63 Cb 0.02 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dt7 n GLY 64 N 0.61 -0.43 0.74 0.44 0.00 0.79 -4.85 105.19 102.49 1dt7 n GLY 64 Ca 0.05 -0.06 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 -1.76 2.70 0.00 1.61 5.68 -1.26 -4.93 116.55 118.59 1dt7 n ASP 65 Ca -0.23 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1dt7 n ASP 65 Cb 0.68 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dt7 n GLY 66 N 0.91 0.87 2.89 6.12 0.00 -1.26 -4.99 105.19 109.73 1dt7 n GLY 66 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1dt7 n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dt7 s GLU 67 N -0.05 0.29 -0.13 1.61 -1.05 -1.26 -2.39 118.70 115.72 1dt7 s GLU 67 Ca 0.00 -0.06 -0.06 0.00 -0.15 0.00 0.00 54.97 54.70 1dt7 s GLU 67 Cb 0.00 -0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.31 1dt7 s GLU 67 CO 0.00 0.00 0.07 0.00 0.95 0.00 0.00 175.26 176.28 1dt7 s ASP 69 N -0.46 4.13 0.30 0.00 2.15 -1.26 -1.65 116.67 119.89 1dt7 s ASP 69 Ca 0.10 0.85 0.06 0.00 0.43 0.00 0.00 52.55 53.99 1dt7 s ASP 69 Cb -0.12 -1.37 0.74 0.00 -0.30 0.00 0.00 42.92 41.88 1dt7 s ASP 69 CO 0.02 -2.15 1.78 0.15 -0.17 0.00 0.00 175.17 174.80 1dt7 h PHE 70 N -1.22 1.07 0.04 -5.34 3.57 -1.92 -0.46 116.94 112.67 1dt7 h PHE 70 Ca -0.48 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 1dt7 h PHE 70 Cb 1.33 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1dt7 h PHE 70 CO 0.30 0.23 -0.02 0.37 -2.23 0.00 0.00 178.31 176.97 1dt7 h GLN 71 N 0.76 -0.05 -0.92 1.11 4.15 -1.90 -1.74 115.11 116.51 1dt7 h GLN 71 Ca 0.58 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.99 1dt7 h GLN 71 Cb 0.91 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.56 1dt7 h GLN 71 CO -0.38 0.03 0.52 0.93 -1.93 0.00 0.00 178.83 177.99 1dt7 h GLU 72 N -0.12 1.27 -0.56 1.69 5.08 -1.47 -2.12 114.58 118.35 1dt7 h GLU 72 Ca -0.01 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1dt7 h GLU 72 Cb 0.11 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1dt7 h GLU 72 CO 0.01 0.92 0.13 0.35 -1.00 0.00 0.00 179.01 179.41 1dt7 h PHE 73 N 1.28 0.90 -0.76 4.33 3.57 -1.08 -2.63 116.94 122.55 1dt7 h PHE 73 Ca 0.32 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1dt7 h PHE 73 Cb 0.01 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1dt7 h PHE 73 CO 0.01 0.75 0.50 0.52 -2.23 0.00 0.00 178.31 177.87 1dt7 h MET 74 N 0.83 0.99 -0.30 1.11 2.86 -0.63 -2.30 114.93 117.50 1dt7 h MET 74 Ca 0.18 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1dt7 h MET 74 Cb 0.32 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1dt7 h MET 74 CO 0.00 0.66 -0.21 0.00 1.06 0.00 0.00 176.91 178.42 1dt7 h ALA 75 N 1.53 1.08 -0.55 6.32 0.00 -1.26 -2.77 119.26 123.61 1dt7 h ALA 75 Ca 0.28 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dt7 h ALA 75 Cb -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1dt7 h ALA 75 CO -0.06 0.56 0.36 0.35 0.00 0.00 0.00 179.25 180.46 1dt7 h PHE 76 N 0.50 0.69 -0.44 0.00 3.57 -1.37 -2.02 116.94 117.87 1dt7 h PHE 76 Ca 0.08 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1dt7 h PHE 76 Cb 0.64 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1dt7 h PHE 76 CO 0.02 0.44 -0.09 0.28 -2.23 0.00 0.00 178.31 176.73 1dt7 h VAL 77 N 0.74 1.25 -0.68 1.41 2.07 -1.44 -2.44 116.25 117.17 1dt7 h VAL 77 Ca 0.20 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 1dt7 h VAL 77 Cb -0.08 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1dt7 h VAL 77 CO -0.04 0.39 0.11 0.28 0.02 0.00 0.00 177.57 178.33 1dt7 h SER 78 N 0.71 1.08 -0.22 0.57 0.02 -1.34 -2.27 113.55 112.11 1dt7 h SER 78 Ca 0.12 -0.26 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 1dt7 h SER 78 Cb 0.56 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1dt7 h SER 78 CO 0.03 1.07 -0.42 0.24 -1.14 0.00 0.00 176.83 176.61 1dt7 h MET 79 N 1.05 0.67 -0.85 3.45 2.07 -1.39 -3.06 114.93 116.87 1dt7 h MET 79 Ca 0.21 -0.43 -0.03 0.00 -2.07 0.00 0.00 59.70 57.38 1dt7 h MET 79 Cb 0.45 0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.19 1dt7 h MET 79 CO 0.01 1.05 0.43 0.28 1.07 0.00 0.00 176.91 179.75 1dt7 h VAL 80 N 0.37 1.26 -0.92 -2.22 2.07 -1.38 -2.16 116.25 113.27 1dt7 h VAL 80 Ca 0.01 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1dt7 h VAL 80 Cb 1.02 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1dt7 h VAL 80 CO 0.09 0.30 0.60 0.74 0.02 0.00 0.00 177.57 179.33 1dt7 h THR 81 N 1.20 1.24 -0.98 2.57 2.02 -1.40 -0.56 112.91 116.99 1dt7 h THR 81 Ca 0.29 -0.43 0.17 0.00 0.77 0.00 0.00 66.41 67.21 1dt7 h THR 81 Cb 0.08 -0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 66.29 1dt7 h THR 81 CO -0.04 0.23 0.61 0.74 0.37 0.00 0.00 175.52 177.43 1dt7 h THR 82 N 1.24 0.76 -0.90 3.16 2.02 -1.28 0.60 112.91 118.51 1dt7 h THR 82 Ca 0.34 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1dt7 h THR 82 Cb -0.14 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.16 1dt7 h THR 82 CO -0.07 0.14 0.60 0.00 0.37 0.00 0.00 175.52 176.55 1dt7 h ALA 83 N 1.61 1.36 -0.68 6.16 0.00 -1.07 -1.60 119.26 125.04 1dt7 h ALA 83 Ca 0.54 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1dt7 h ALA 83 Cb 0.84 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1dt7 h ALA 83 CO -0.31 0.59 0.45 0.00 0.00 0.00 0.00 179.25 179.99 1dt7 h HIS 85 N 0.92 1.26 -0.22 0.00 6.17 -0.85 2.40 115.15 124.83 1dt7 h HIS 85 Ca 0.25 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.29 1dt7 h HIS 85 Cb -0.11 -0.43 -0.01 0.00 2.52 0.00 0.00 27.41 29.38 1dt7 h HIS 85 CO -0.00 0.79 -0.18 0.93 0.71 0.00 0.00 177.93 180.18 1dt7 h GLU 86 N 1.36 0.39 0.00 5.26 5.08 -1.30 -2.85 114.58 122.51 1dt7 h GLU 86 Ca 0.37 -0.12 -0.27 0.00 -1.00 0.00 0.00 59.36 58.34 1dt7 h GLU 86 Cb -0.16 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1dt7 h GLU 86 CO -0.08 0.56 -1.49 0.35 -1.00 0.00 0.00 179.01 177.35 1dt7 h PHE 87 N 0.36 0.00 -1.88 4.33 3.57 -0.71 -3.37 116.94 119.23 1dt7 h PHE 87 Ca 0.06 -0.00 -0.78 0.00 3.53 0.00 0.00 57.97 60.78 1dt7 h PHE 87 Cb 0.52 -0.00 -0.20 0.00 2.79 0.00 0.00 35.95 39.06 1dt7 h PHE 87 CO 0.01 1.00 1.61 0.34 -2.23 0.00 0.00 178.31 179.05 1dt7 n PHE 88 N -3.14 2.62 -2.33 0.41 -0.00 0.80 -4.95 117.46 110.86 1dt7 n PHE 88 Ca -0.12 -2.69 -0.42 0.00 -0.00 0.00 0.00 57.45 54.23 1dt7 n PHE 88 Cb 1.02 -1.58 -0.03 0.00 -0.00 0.00 0.00 39.48 38.89 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1dt7 s GLU 89 N -1.85 3.29 -0.71 -4.13 0.41 -1.24 -4.79 118.70 109.68 1dt7 s GLU 89 Ca 0.41 0.59 -0.25 0.00 -0.41 0.00 0.00 54.97 55.32 1dt7 s GLU 89 Cb 0.13 -4.14 0.05 0.00 -1.78 0.00 0.00 34.13 28.39 1dt7 s GLU 89 CO -0.02 -1.94 1.14 -1.01 -0.49 0.00 0.00 175.26 172.94 1dt7 s HIS 90 N 6.26 2.46 -2.43 1.61 3.76 -1.26 -5.17 115.29 120.52 1dt7 s HIS 90 Ca 0.56 -0.29 0.29 0.00 -0.15 0.00 0.00 55.06 55.47 1dt7 s HIS 90 Cb -0.12 -4.48 1.17 0.00 1.11 0.00 0.00 32.58 30.26 1dt7 s HIS 90 CO 0.26 -1.89 1.81 0.39 -0.85 0.00 0.00 174.74 174.47