#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 -2.82 0.00 6.12 3.41 -1.26 -4.70 113.62 114.37 1dt7 n SER 1 Ca 0.00 0.26 0.02 0.00 -0.26 0.00 0.00 58.87 58.89 1dt7 n SER 1 Cb 0.00 -2.71 0.13 0.00 -0.26 0.00 0.00 64.21 61.37 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1dt7 n GLU 2 N -1.77 0.82 -0.16 4.33 0.28 -1.26 -3.86 120.64 119.02 1dt7 n GLU 2 Ca -0.11 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.91 1dt7 n GLU 2 Cb 0.36 -1.08 0.29 0.00 1.43 0.00 0.00 31.44 32.45 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 0.00 0.76 -1.02 -1.84 6.46 -2.00 -2.31 115.31 115.36 1dt7 h LEU 3 Ca 0.00 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1dt7 h LEU 3 Cb 0.00 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 39.69 1dt7 h LEU 3 CO 0.00 0.55 0.66 -0.08 -0.62 0.00 0.00 178.44 178.95 1dt7 h GLU 4 N 0.90 1.32 -0.13 1.25 4.81 -1.98 -1.54 114.58 119.20 1dt7 h GLU 4 Ca 0.24 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1dt7 h GLU 4 Cb -0.10 -0.30 -0.01 0.00 0.63 0.00 0.00 28.75 28.97 1dt7 h GLU 4 CO -0.05 0.87 -0.44 0.87 -0.73 0.00 0.00 179.01 179.53 1dt7 h LYS 5 N 1.36 0.32 -0.45 1.92 6.56 -1.73 -2.80 116.57 121.75 1dt7 h LYS 5 Ca 0.37 -0.16 -0.14 0.00 -1.06 0.00 0.00 60.65 59.65 1dt7 h LYS 5 Cb -0.16 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.50 1dt7 h LYS 5 CO -0.08 0.70 -0.28 0.00 -2.06 0.00 0.00 179.45 177.73 1dt7 h ALA 6 N 1.28 0.64 -0.69 3.86 0.00 -0.99 -2.33 119.26 121.02 1dt7 h ALA 6 Ca 0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1dt7 h ALA 6 Cb 0.88 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1dt7 h ALA 6 CO 0.07 0.68 0.13 0.52 0.00 0.00 0.00 179.25 180.65 1dt7 h MET 7 N 0.83 1.13 -0.81 0.00 2.86 -1.22 -2.51 114.93 115.21 1dt7 h MET 7 Ca 0.09 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1dt7 h MET 7 Cb 0.87 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 1dt7 h MET 7 CO 0.08 1.02 0.34 0.28 1.06 0.00 0.00 176.91 179.69 1dt7 h VAL 8 N 1.06 1.26 -0.81 -2.22 2.07 -1.39 -2.75 116.25 113.47 1dt7 h VAL 8 Ca 0.21 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1dt7 h VAL 8 Cb 0.42 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1dt7 h VAL 8 CO 0.01 0.33 0.37 0.00 0.02 0.00 0.00 177.57 178.30 1dt7 h ALA 9 N 1.19 1.14 -0.99 1.67 0.00 -1.01 -2.29 119.26 118.97 1dt7 h ALA 9 Ca 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dt7 h ALA 9 Cb 0.19 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1dt7 h ALA 9 CO -0.03 0.64 0.65 -0.07 0.00 0.00 0.00 179.25 180.45 1dt7 h LEU 10 N 1.15 1.14 -0.66 0.00 3.38 -1.16 -1.87 115.31 117.29 1dt7 h LEU 10 Ca 0.28 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1dt7 h LEU 10 Cb 0.14 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1dt7 h LEU 10 CO -0.03 0.83 -0.23 0.40 0.09 0.00 0.00 178.44 179.50 1dt7 h ILE 11 N 1.34 1.27 -0.18 1.22 2.04 -1.41 -2.93 117.51 118.86 1dt7 h ILE 11 Ca 0.36 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1dt7 h ILE 11 Cb -0.15 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1dt7 h ILE 11 CO -0.08 0.45 0.12 -0.78 0.00 0.00 0.00 178.15 177.86 1dt7 h ASP 12 N 0.70 0.21 -0.99 1.72 1.82 -0.80 -2.59 116.42 116.48 1dt7 h ASP 12 Ca 0.09 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1dt7 h ASP 12 Cb 0.75 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.66 1dt7 h ASP 12 CO 0.06 0.15 0.65 1.62 -1.61 0.00 0.00 179.24 180.11 1dt7 h VAL 13 N 0.24 1.26 -1.01 2.25 3.04 -1.45 -2.21 116.25 118.37 1dt7 h VAL 13 Ca 0.07 -0.49 0.03 0.00 -1.01 0.00 0.00 66.70 65.30 1dt7 h VAL 13 Cb -0.03 -0.19 -0.06 0.00 -2.01 0.00 0.00 31.29 29.00 1dt7 h VAL 13 CO -0.01 0.25 0.66 0.15 -1.01 0.00 0.00 177.57 177.61 1dt7 h PHE 14 N 1.35 1.25 -0.97 3.17 3.57 -1.28 -2.22 116.94 121.81 1dt7 h PHE 14 Ca 0.36 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.90 1dt7 h PHE 14 Cb -0.14 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 38.14 1dt7 h PHE 14 CO 0.00 0.74 0.64 1.25 -2.23 0.00 0.00 178.31 178.72 1dt7 h HIS 15 N 1.31 1.22 -1.01 0.41 2.76 -1.04 -0.65 115.15 118.14 1dt7 h HIS 15 Ca 0.39 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.60 1dt7 h HIS 15 Cb -0.05 -0.41 -0.05 0.00 1.55 0.00 0.00 27.41 28.45 1dt7 h HIS 15 CO -0.00 0.77 0.67 1.96 -1.30 0.00 0.00 177.93 180.03 1dt7 h GLN 16 N 1.31 1.33 0.00 5.26 1.08 -1.35 -2.98 115.11 119.76 1dt7 h GLN 16 Ca 0.36 -0.08 -0.25 0.00 -1.45 0.00 0.00 58.65 57.23 1dt7 h GLN 16 Cb -0.15 -0.30 -0.04 0.00 -0.05 0.00 0.00 27.48 26.94 1dt7 h GLN 16 CO -0.08 0.88 -1.55 1.88 -0.95 0.00 0.00 178.83 179.01 1dt7 h TYR 17 N 1.37 0.00 -0.82 2.96 -1.99 -1.48 -3.28 116.97 113.74 1dt7 h TYR 17 Ca 0.37 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.06 1dt7 h TYR 17 Cb -0.16 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.54 1dt7 h TYR 17 CO -0.00 0.87 0.34 0.66 -0.00 0.00 0.00 178.16 180.03 1dt7 h SER 18 N 0.00 1.11 0.57 3.88 4.64 -1.06 -1.91 113.55 120.79 1dt7 h SER 18 Ca -0.23 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1dt7 h SER 18 Cb 1.86 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1dt7 h SER 18 CO 0.07 0.97 -0.15 0.61 -0.87 0.00 0.00 176.83 177.47 1dt7 n GLY 19 N -0.91 -1.17 0.25 -0.77 0.00 -1.13 -2.75 105.19 98.70 1dt7 n GLY 19 Ca 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 0.27 0.82 -0.01 1.61 1.12 -1.39 -3.02 114.38 113.77 1dt7 h ARG 20 Ca 0.00 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1dt7 h ARG 20 Cb 0.42 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 1dt7 h ARG 20 CO 0.00 0.67 -0.55 -1.91 -3.11 0.00 0.00 179.97 175.07 1dt7 n GLU 21 N -4.54 1.10 0.00 0.20 2.13 -1.25 -4.96 120.64 113.31 1dt7 n GLU 21 Ca 0.03 -0.80 0.00 0.00 0.66 0.00 0.00 57.16 57.05 1dt7 n GLU 21 Cb 0.13 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.39 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 1.40 2.55 2.72 8.31 0.00 -1.14 -4.96 105.19 114.07 1dt7 n GLY 22 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 4.74 -0.38 1.61 8.00 -1.18 -4.70 116.55 124.65 1dt7 n ASP 23 Ca 0.00 -2.90 -0.02 0.00 0.71 0.00 0.00 54.79 52.58 1dt7 n ASP 23 Cb 0.00 -1.59 0.11 0.00 -0.02 0.00 0.00 41.12 39.62 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 5.80 1.33 0.00 -1.24 3.64 -1.89 -2.46 116.57 121.75 1dt7 h LYS 24 Ca 0.55 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1dt7 h LYS 24 Cb 0.60 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1dt7 h LYS 24 CO 1.80 0.88 0.00 0.45 -2.27 0.00 0.00 179.45 180.31 1dt7 h HIS 25 N 1.37 0.00 -3.68 1.91 3.86 -1.87 -3.46 115.15 113.27 1dt7 h HIS 25 Ca 0.37 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.50 1dt7 h HIS 25 Cb -0.16 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.17 1dt7 h HIS 25 CO -0.00 0.00 -0.32 -1.59 0.86 0.00 0.00 177.93 176.88 1dt7 s LYS 26 N -3.33 0.86 -0.10 2.45 -2.85 -0.93 -4.20 119.74 111.64 1dt7 s LYS 26 Ca 0.05 -0.85 -0.01 0.00 -1.00 0.00 0.00 55.97 54.16 1dt7 s LYS 26 Cb 0.06 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1dt7 s LYS 26 CO 0.64 -0.28 -0.06 -0.51 0.10 0.00 0.00 175.35 175.24 1dt7 s LEU 27 N -2.71 3.22 0.19 2.77 1.43 -0.67 -4.53 118.68 118.37 1dt7 s LEU 27 Ca 0.03 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1dt7 s LEU 27 Cb 0.03 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1dt7 s LEU 27 CO -0.10 0.30 0.13 -0.54 0.23 0.00 0.00 176.35 176.37 1dt7 s LYS 28 N -0.44 2.80 0.58 1.70 1.02 -1.26 -1.09 119.74 123.05 1dt7 s LYS 28 Ca 0.07 -0.98 0.34 0.00 0.02 0.00 0.00 55.97 55.42 1dt7 s LYS 28 Cb -0.12 -2.56 1.35 0.00 -0.52 0.00 0.00 37.83 35.98 1dt7 s LYS 28 CO 0.02 0.45 1.58 -0.22 -0.92 0.00 0.00 175.35 176.27 1dt7 h LYS 29 N 2.17 0.00 0.01 1.68 3.64 -1.92 0.91 116.57 123.07 1dt7 h LYS 29 Ca -0.48 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 1dt7 h LYS 29 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1dt7 h LYS 29 CO 0.62 0.00 -0.18 0.77 -2.27 0.00 0.00 179.45 178.38 1dt7 h SER 30 N 0.00 0.14 0.50 4.20 0.02 -1.92 -2.37 113.55 114.12 1dt7 h SER 30 Ca 0.55 -0.86 -0.10 0.00 -0.84 0.00 0.00 61.79 60.54 1dt7 h SER 30 Cb 2.63 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 65.11 1dt7 h SER 30 CO -0.01 0.98 -0.50 -0.08 -1.14 0.00 0.00 176.83 176.08 1dt7 h GLU 31 N -0.69 0.00 -0.66 3.45 4.81 -0.20 -2.75 114.58 118.54 1dt7 h GLU 31 Ca -0.03 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1dt7 h GLU 31 Cb 1.02 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1dt7 h GLU 31 CO 0.04 0.50 0.08 1.25 -0.73 0.00 0.00 179.01 180.15 1dt7 h LEU 32 N 0.00 1.07 -1.00 1.64 5.85 0.48 -2.49 115.31 120.86 1dt7 h LEU 32 Ca -0.00 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1dt7 h LEU 32 Cb 0.89 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1dt7 h LEU 32 CO 0.06 1.07 0.66 0.50 -0.34 0.00 0.00 178.44 180.40 1dt7 h LYS 33 N 1.03 1.32 -0.23 1.25 1.63 -1.11 -2.14 116.57 118.32 1dt7 h LYS 33 Ca 0.20 -0.08 -0.16 0.00 -0.85 0.00 0.00 60.65 59.76 1dt7 h LYS 33 Cb 0.47 -0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1dt7 h LYS 33 CO 0.02 0.88 -0.51 1.49 -3.45 0.00 0.00 179.45 177.88 1dt7 h GLU 34 N 1.36 0.64 0.00 1.90 4.57 -1.45 0.28 114.58 121.89 1dt7 h GLU 34 Ca 0.37 -0.38 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1dt7 h GLU 34 Cb -0.15 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1dt7 h GLU 34 CO -0.08 1.00 -0.00 1.25 -1.18 0.00 0.00 179.01 180.00 1dt7 h LEU 35 N 0.50 -0.00 -0.01 1.64 7.12 -0.99 -0.90 115.31 122.67 1dt7 h LEU 35 Ca 0.02 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1dt7 h LEU 35 Cb 1.06 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1dt7 h LEU 35 CO 0.10 0.02 -0.12 0.40 -0.13 0.00 0.00 178.44 178.71 1dt7 h ILE 36 N -0.02 1.54 -0.57 4.05 2.04 -1.35 -1.58 117.51 121.61 1dt7 h ILE 36 Ca -0.00 -1.76 -0.10 0.00 1.00 0.00 0.00 64.86 64.01 1dt7 h ILE 36 Cb 0.02 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1dt7 h ILE 36 CO 0.00 0.47 -0.02 -1.13 0.00 0.00 0.00 178.15 177.47 1dt7 h ASN 37 N -0.57 1.02 0.06 1.72 -0.73 -0.45 -3.04 115.58 113.59 1dt7 h ASN 37 Ca -0.01 -0.32 -0.37 0.00 1.87 0.00 0.00 56.30 57.47 1dt7 h ASN 37 Cb 0.83 -0.27 -0.06 0.00 0.27 0.00 0.00 38.32 39.09 1dt7 h ASN 37 CO 0.02 1.09 -2.32 0.59 -0.37 0.00 0.00 177.43 176.45 1dt7 n ASN 38 N -4.20 1.03 0.02 1.15 5.03 -0.35 -3.97 115.26 113.97 1dt7 n ASN 38 Ca 0.02 0.01 0.14 0.00 0.87 0.00 0.00 54.58 55.62 1dt7 n ASN 38 Cb 0.36 0.19 0.58 0.00 -1.02 0.00 0.00 39.78 39.88 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 -3.04 0.05 -3.04 3.52 2.13 -0.59 -3.82 120.64 115.84 1dt7 n GLU 39 Ca -0.36 0.04 -0.21 0.00 0.66 0.00 0.00 57.16 57.29 1dt7 n GLU 39 Cb 1.07 -1.55 -0.03 0.00 0.27 0.00 0.00 31.44 31.20 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 -1.64 2.32 -0.38 4.31 4.77 -1.15 -4.90 117.00 120.34 1dt7 n LEU 40 Ca 0.07 -5.18 -0.02 0.00 -0.03 0.00 0.00 56.01 50.85 1dt7 n LEU 40 Cb 0.36 0.20 0.11 0.00 -2.33 0.00 0.00 43.42 41.76 1dt7 n LEU 40 CO 0.28 2.27 1.29 0.77 -1.33 0.00 0.00 177.39 180.67 1dt7 h SER 41 N 2.98 1.16 0.00 -1.43 4.64 -1.69 -3.35 113.55 115.85 1dt7 h SER 41 Ca 0.11 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1dt7 h SER 41 Cb 0.81 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1dt7 h SER 41 CO 0.63 0.84 -0.17 0.00 -0.87 0.00 0.00 176.83 177.26 1dt7 n HIS 42 N -4.38 0.00 -0.26 4.77 -0.00 -1.26 -4.37 115.22 109.72 1dt7 n HIS 42 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.79 1dt7 n HIS 42 Cb 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.10 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 1.14 -3.13 -1.40 3.57 -1.91 -3.43 116.94 111.78 1dt7 h PHE 43 Ca 0.00 -0.09 -0.46 0.00 3.53 0.00 0.00 57.97 60.95 1dt7 h PHE 43 Cb 0.00 -0.34 -0.16 0.00 2.79 0.00 0.00 35.95 38.24 1dt7 h PHE 43 CO 0.00 0.88 -0.75 -1.17 -2.23 0.00 0.00 178.31 175.04 1dt7 s LEU 44 N -9.62 2.50 -0.09 0.59 0.20 -1.26 -5.06 118.68 105.94 1dt7 s LEU 44 Ca -0.12 -0.94 -0.31 0.00 0.69 0.00 0.00 54.13 53.45 1dt7 s LEU 44 Cb 0.16 -0.69 -0.09 0.00 -0.43 0.00 0.00 46.19 45.14 1dt7 s LEU 44 CO 0.83 -0.13 2.03 -1.84 -0.29 0.00 0.00 176.35 176.95 1dt7 n GLU 45 N -0.04 2.34 -1.75 1.98 0.28 -1.26 -4.67 120.64 117.53 1dt7 n GLU 45 Ca -0.11 0.81 -0.38 0.00 -0.16 0.00 0.00 57.16 57.32 1dt7 n GLU 45 Cb 0.59 -2.93 0.05 0.00 1.43 0.00 0.00 31.44 30.58 1dt7 n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1dt7 s GLU 46 N 4.94 3.01 0.14 3.44 2.12 -1.26 -4.95 118.70 126.14 1dt7 s GLU 46 Ca 0.94 2.24 -0.27 0.00 0.36 0.00 0.00 54.97 58.24 1dt7 s GLU 46 Cb -0.51 -2.18 -0.07 0.00 0.26 0.00 0.00 34.13 31.63 1dt7 s GLU 46 CO 0.44 -1.30 0.86 0.42 -0.54 0.00 0.00 175.26 175.14 1dt7 s ILE 47 N -1.30 4.41 -0.11 -3.70 -1.09 -1.26 -4.94 121.20 113.21 1dt7 s ILE 47 Ca 0.74 1.87 0.15 0.00 -2.23 0.00 0.00 60.65 61.17 1dt7 s ILE 47 Cb -0.41 -4.22 -0.22 0.00 -1.58 0.00 0.00 42.46 36.03 1dt7 s ILE 47 CO 0.47 0.43 0.36 0.29 -1.23 0.00 0.00 174.94 175.26 1dt7 n LYS 48 N 2.13 0.70 -3.83 2.79 4.76 -1.26 -4.91 118.16 118.55 1dt7 n LYS 48 Ca -0.02 -0.11 -0.12 0.00 -2.87 0.00 0.00 58.31 55.18 1dt7 n LYS 48 Cb 0.49 -1.32 -0.13 0.00 -1.84 0.00 0.00 35.03 32.23 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1dt7 s GLU 49 N -2.92 0.14 0.49 1.97 2.56 -1.26 -5.03 118.70 114.65 1dt7 s GLU 49 Ca -0.04 0.15 0.14 0.00 0.00 0.00 0.00 54.97 55.21 1dt7 s GLU 49 Cb 0.09 0.07 1.16 0.00 2.00 0.00 0.00 34.13 37.46 1dt7 s GLU 49 CO 0.60 -0.02 2.13 0.37 -0.56 0.00 0.00 175.26 177.78 1dt7 h GLN 50 N 5.94 0.14 -0.91 4.30 4.15 -2.01 -2.23 115.11 124.50 1dt7 h GLN 50 Ca -0.25 -0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.38 1dt7 h GLN 50 Cb 1.20 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.80 1dt7 h GLN 50 CO 0.44 0.09 0.61 1.05 -1.93 0.00 0.00 178.83 179.09 1dt7 h GLU 51 N 0.14 0.35 -0.73 1.69 4.11 -1.99 0.55 114.58 118.71 1dt7 h GLU 51 Ca 0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 1dt7 h GLU 51 Cb -0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1dt7 h GLU 51 CO -0.01 0.23 0.32 0.28 0.07 0.00 0.00 179.01 179.90 1dt7 h VAL 52 N 0.36 1.24 -0.15 -1.06 2.07 -1.83 -1.67 116.25 115.20 1dt7 h VAL 52 Ca 0.47 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1dt7 h VAL 52 Cb 1.25 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1dt7 h VAL 52 CO -0.17 0.29 -0.38 0.58 0.02 0.00 0.00 177.57 177.92 1dt7 h VAL 53 N 1.04 1.30 -0.46 2.57 2.07 -0.05 -2.22 116.25 120.50 1dt7 h VAL 53 Ca 0.25 -1.47 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 1dt7 h VAL 53 Cb 0.15 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1dt7 h VAL 53 CO -0.03 0.45 -0.11 -0.78 0.02 0.00 0.00 177.57 177.12 1dt7 h ASP 54 N 0.28 0.83 -0.57 0.57 1.82 -0.43 -0.36 116.42 118.56 1dt7 h ASP 54 Ca 0.03 -0.26 -0.11 0.00 -0.39 0.00 0.00 57.03 56.30 1dt7 h ASP 54 Cb 0.80 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 1dt7 h ASP 54 CO 0.06 0.96 -0.08 0.50 -1.61 0.00 0.00 179.24 179.07 1dt7 h LYS 55 N 0.75 1.06 -0.10 0.28 3.64 -1.08 -1.53 116.57 119.59 1dt7 h LYS 55 Ca 0.12 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1dt7 h LYS 55 Cb 0.61 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1dt7 h LYS 55 CO 0.04 1.08 -0.19 0.28 -2.27 0.00 0.00 179.45 178.39 1dt7 h VAL 56 N 0.94 1.19 -0.11 2.00 2.07 -1.04 -1.99 116.25 119.31 1dt7 h VAL 56 Ca 0.15 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 1dt7 h VAL 56 Cb 0.65 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1dt7 h VAL 56 CO 0.05 0.26 -0.48 0.24 0.02 0.00 0.00 177.57 177.65 1dt7 h MET 57 N 0.15 0.27 -1.00 1.57 2.86 -0.11 1.89 114.93 120.56 1dt7 h MET 57 Ca 0.03 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1dt7 h MET 57 Cb 0.42 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.02 1dt7 h MET 57 CO 0.03 0.69 0.65 1.49 1.06 0.00 0.00 176.91 180.83 1dt7 h GLU 58 N 0.22 1.16 0.16 1.72 4.57 -0.57 2.66 114.58 124.49 1dt7 h GLU 58 Ca 0.01 -0.07 -0.36 0.00 -1.18 0.00 0.00 59.36 57.76 1dt7 h GLU 58 Cb 0.93 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1dt7 h GLU 58 CO 0.08 0.77 -1.88 1.15 -1.18 0.00 0.00 179.01 177.94 1dt7 h THR 59 N 1.19 0.78 0.00 0.32 2.02 -1.43 -3.38 112.91 112.41 1dt7 h THR 59 Ca 0.43 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1dt7 h THR 59 Cb 0.14 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1dt7 h THR 59 CO -0.16 0.88 -0.73 0.25 0.37 0.00 0.00 175.52 176.13 1dt7 h LEU 60 N 0.09 0.00 -5.40 2.58 5.85 0.32 -3.38 115.31 115.38 1dt7 h LEU 60 Ca -0.39 -0.12 -0.69 0.00 0.84 0.00 0.00 57.88 57.53 1dt7 h LEU 60 Cb 2.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.09 1dt7 h LEU 60 CO 0.13 0.06 3.48 -0.67 -0.34 0.00 0.00 178.44 181.10 1dt7 n ASP 61 N -2.40 7.13 -0.37 1.25 -0.08 0.89 -4.58 116.55 118.39 1dt7 n ASP 61 Ca 0.02 -2.71 0.02 0.00 -1.51 0.00 0.00 54.79 50.61 1dt7 n ASP 61 Cb 0.49 -1.57 0.16 0.00 2.34 0.00 0.00 41.12 42.54 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 5.30 1.18 0.00 -0.67 5.08 -1.79 0.44 114.58 124.12 1dt7 h GLU 62 Ca 0.76 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1dt7 h GLU 62 Cb 0.40 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1dt7 h GLU 62 CO 1.79 0.78 0.00 -0.44 -1.00 0.00 0.00 179.01 180.14 1dt7 h ASP 63 N 1.21 0.00 -2.49 1.42 3.32 -1.85 -3.46 116.42 114.57 1dt7 h ASP 63 Ca 0.42 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.17 1dt7 h ASP 63 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1dt7 h ASP 63 CO -0.16 0.00 -0.41 0.61 -1.72 0.00 0.00 179.24 177.56 1dt7 n GLY 64 N 0.14 -0.25 0.73 2.75 0.00 0.15 -4.89 105.19 103.83 1dt7 n GLY 64 Ca 0.01 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.06 2.81 -0.00 1.61 5.75 -1.26 -4.93 116.55 119.47 1dt7 n ASP 65 Ca -0.16 -1.84 -0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1dt7 n ASP 65 Cb 0.63 -0.18 -0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.83 0.50 3.08 6.12 0.00 -1.26 -4.99 105.19 109.46 1dt7 n GLY 66 Ca 0.12 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.02 0.23 -0.13 1.61 2.02 -1.26 -2.94 118.70 118.21 1dt7 s GLU 67 Ca 0.00 0.40 -0.06 0.00 0.02 0.00 0.00 54.97 55.34 1dt7 s GLU 67 Cb 0.00 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.21 1dt7 s GLU 67 CO 0.00 -0.09 0.07 0.00 0.02 0.00 0.00 175.26 175.26 1dt7 s ASP 69 N -0.48 4.28 0.34 0.00 -1.08 -1.26 -1.67 116.67 116.81 1dt7 s ASP 69 Ca 0.10 0.82 0.12 0.00 -0.52 0.00 0.00 52.55 53.07 1dt7 s ASP 69 Cb -0.12 -1.33 0.92 0.00 -1.46 0.00 0.00 42.92 40.93 1dt7 s ASP 69 CO 0.02 -2.05 1.76 0.15 0.52 0.00 0.00 175.17 175.57 1dt7 h PHE 70 N -1.16 0.91 0.05 -5.34 3.57 -1.94 -0.03 116.94 113.00 1dt7 h PHE 70 Ca -0.47 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 1dt7 h PHE 70 Cb 1.33 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1dt7 h PHE 70 CO 0.31 0.11 -0.02 0.37 -2.23 0.00 0.00 178.31 176.84 1dt7 h GLN 71 N 0.56 -0.06 -0.90 1.11 4.15 -1.93 -0.95 115.11 117.09 1dt7 h GLN 71 Ca 0.61 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.02 1dt7 h GLN 71 Cb 1.23 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 1dt7 h GLN 71 CO -0.39 0.04 0.51 0.93 -1.93 0.00 0.00 178.83 178.00 1dt7 h GLU 72 N -0.15 1.24 -0.03 1.69 5.08 -1.36 -1.46 114.58 119.59 1dt7 h GLU 72 Ca -0.01 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1dt7 h GLU 72 Cb 0.13 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1dt7 h GLU 72 CO 0.01 0.89 -0.42 0.35 -1.00 0.00 0.00 179.01 178.84 1dt7 h PHE 73 N 1.25 0.09 -1.00 4.33 3.57 -1.23 -2.84 116.94 121.10 1dt7 h PHE 73 Ca 0.32 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1dt7 h PHE 73 Cb -0.01 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1dt7 h PHE 73 CO 0.01 0.49 0.66 1.98 -2.23 0.00 0.00 178.31 179.21 1dt7 h MET 74 N 0.06 1.32 -0.01 1.11 4.05 -0.07 -1.70 114.93 119.69 1dt7 h MET 74 Ca 0.00 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.24 1dt7 h MET 74 Cb 0.78 -0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1dt7 h MET 74 CO 0.06 0.88 -0.45 0.00 0.23 0.00 0.00 176.91 177.62 1dt7 h ALA 75 N 1.37 1.22 0.00 0.39 0.00 -1.26 -2.24 119.26 118.75 1dt7 h ALA 75 Ca 0.37 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1dt7 h ALA 75 Cb -0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1dt7 h ALA 75 CO -0.08 0.58 -0.08 0.35 0.00 0.00 0.00 179.25 180.01 1dt7 h PHE 76 N 0.03 0.00 -0.29 0.00 3.57 -1.29 -1.88 116.94 117.07 1dt7 h PHE 76 Ca -0.00 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1dt7 h PHE 76 Cb 0.81 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1dt7 h PHE 76 CO 0.00 0.08 -0.54 0.28 -2.23 0.00 0.00 178.31 175.90 1dt7 h VAL 77 N 0.00 1.28 -0.24 1.41 2.07 -1.26 -2.96 116.25 116.54 1dt7 h VAL 77 Ca -0.00 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.68 1dt7 h VAL 77 Cb 0.25 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1dt7 h VAL 77 CO 0.01 0.56 -0.28 -1.28 0.02 0.00 0.00 177.57 176.61 1dt7 h SER 78 N 0.66 0.67 -0.59 0.57 0.87 -1.35 -2.16 113.55 112.22 1dt7 h SER 78 Ca 0.02 -0.49 -0.09 0.00 -1.23 0.00 0.00 61.79 59.99 1dt7 h SER 78 Cb 1.15 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1dt7 h SER 78 CO 0.12 1.02 -0.00 0.00 -0.53 0.00 0.00 176.83 177.43 1dt7 h MET 79 N 0.33 1.04 -0.12 2.24 3.00 -1.56 -2.47 114.93 117.39 1dt7 h MET 79 Ca 0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 59.70 59.28 1dt7 h MET 79 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 31.60 32.34 1dt7 h MET 79 CO 0.07 1.02 -0.47 0.28 0.00 0.00 0.00 176.91 177.81 1dt7 h VAL 80 N 0.93 1.33 -1.01 -0.10 2.07 -1.55 -2.74 116.25 115.18 1dt7 h VAL 80 Ca 0.17 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1dt7 h VAL 80 Cb 0.56 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 1dt7 h VAL 80 CO 0.03 0.50 0.67 0.74 0.02 0.00 0.00 177.57 179.53 1dt7 h THR 81 N 0.24 1.26 -0.99 2.57 2.02 -1.08 -0.63 112.91 116.30 1dt7 h THR 81 Ca 0.01 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.74 1dt7 h THR 81 Cb 0.92 -0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 1dt7 h THR 81 CO 0.08 0.25 0.66 0.74 0.37 0.00 0.00 175.52 177.61 1dt7 h THR 82 N 1.37 1.25 -0.77 3.16 2.02 -1.15 -0.67 112.91 118.12 1dt7 h THR 82 Ca 0.37 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1dt7 h THR 82 Cb -0.16 -0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.01 1dt7 h THR 82 CO -0.08 0.24 0.50 0.00 0.37 0.00 0.00 175.52 176.56 1dt7 h ALA 83 N 1.38 1.44 -0.42 6.16 0.00 -0.98 -1.01 119.26 125.84 1dt7 h ALA 83 Ca 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1dt7 h ALA 83 Cb -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1dt7 h ALA 83 CO -0.08 0.51 0.28 0.00 0.00 0.00 0.00 179.25 179.96 1dt7 h HIS 85 N 0.49 1.10 -0.91 0.00 6.17 -0.97 0.33 115.15 121.36 1dt7 h HIS 85 Ca 0.16 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.25 1dt7 h HIS 85 Cb 0.06 -0.37 -0.04 0.00 2.52 0.00 0.00 27.41 29.57 1dt7 h HIS 85 CO -0.00 0.69 0.50 0.93 0.71 0.00 0.00 177.93 180.76 1dt7 h GLU 86 N 1.19 1.26 -0.36 5.26 5.08 -1.20 -2.46 114.58 123.35 1dt7 h GLU 86 Ca 0.32 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 1dt7 h GLU 86 Cb -0.14 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.86 1dt7 h GLU 86 CO -0.07 0.92 -0.43 0.74 -1.00 0.00 0.00 179.01 179.17 1dt7 h PHE 87 N 1.27 1.13 -1.13 4.33 0.04 -0.98 -3.24 116.94 118.35 1dt7 h PHE 87 Ca 0.32 -0.36 -0.74 0.00 2.80 0.00 0.00 57.97 59.99 1dt7 h PHE 87 Cb 0.02 -0.23 -0.12 0.00 2.20 0.00 0.00 35.95 37.81 1dt7 h PHE 87 CO 0.01 1.19 2.37 1.19 -0.60 0.00 0.00 178.31 182.47 1dt7 n PHE 88 N -4.04 2.76 -2.34 -0.55 3.72 0.11 -4.93 117.46 112.19 1dt7 n PHE 88 Ca -0.03 -2.83 -0.42 0.00 -0.05 0.00 0.00 57.45 54.12 1dt7 n PHE 88 Cb 0.57 -1.96 -0.02 0.00 -0.94 0.00 0.00 39.48 37.13 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 -0.07 3.46 0.25 -1.08 2.12 -1.22 -4.85 118.70 117.32 1dt7 s GLU 89 Ca 0.48 0.80 -0.06 0.00 0.36 0.00 0.00 54.97 56.56 1dt7 s GLU 89 Cb 0.14 -4.07 0.26 0.00 0.26 0.00 0.00 34.13 30.73 1dt7 s GLU 89 CO -0.05 -1.72 1.93 0.45 -0.54 0.00 0.00 175.26 175.34 1dt7 h HIS 90 N 11.01 1.27 0.00 5.30 3.86 -1.91 -3.53 115.15 131.15 1dt7 h HIS 90 Ca -0.27 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1dt7 h HIS 90 Cb 1.11 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1dt7 h HIS 90 CO 0.99 0.80 0.00 -1.91 0.86 0.00 0.00 177.93 178.67