#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 -3.21 -0.43 7.83 3.41 -1.26 -4.66 113.62 115.30 1dt7 n SER 1 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1dt7 n SER 1 Cb 0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 64.21 61.81 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 0.45 0.79 -0.23 4.33 0.28 -1.26 -3.84 120.64 121.16 1dt7 n GLU 2 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1dt7 n GLU 2 Cb 0.27 -1.34 0.23 0.00 1.43 0.00 0.00 31.44 32.04 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 0.18 0.89 -1.22 -1.84 6.46 -2.01 -1.46 115.31 116.32 1dt7 h LEU 3 Ca 0.00 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1dt7 h LEU 3 Cb 0.34 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1dt7 h LEU 3 CO 0.00 0.64 0.53 1.05 -0.62 0.00 0.00 178.44 180.05 1dt7 h GLU 4 N 1.05 1.05 -0.81 1.25 4.11 -1.98 -1.52 114.58 117.73 1dt7 h GLU 4 Ca 0.28 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.63 1dt7 h GLU 4 Cb -0.12 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 28.86 1dt7 h GLU 4 CO -0.06 0.70 0.42 -0.22 0.07 0.00 0.00 179.01 179.91 1dt7 h LYS 5 N 1.08 1.15 -0.55 1.06 3.64 -1.57 -2.42 116.57 118.96 1dt7 h LYS 5 Ca 0.29 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1dt7 h LYS 5 Cb -0.12 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.47 1dt7 h LYS 5 CO -0.06 0.87 -0.12 0.00 -2.27 0.00 0.00 179.45 177.87 1dt7 h ALA 6 N 1.22 0.75 -0.85 5.00 0.00 -1.06 -1.95 119.26 122.38 1dt7 h ALA 6 Ca 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1dt7 h ALA 6 Cb 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1dt7 h ALA 6 CO -0.04 0.68 0.39 0.52 0.00 0.00 0.00 179.25 180.80 1dt7 h MET 7 N 0.92 1.23 -0.36 0.00 2.86 -1.11 -2.15 114.93 116.32 1dt7 h MET 7 Ca 0.14 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1dt7 h MET 7 Cb 0.69 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 7 CO 0.05 0.95 -0.23 0.28 1.06 0.00 0.00 176.91 179.02 1dt7 h VAL 8 N 1.21 1.27 -0.57 -2.22 2.07 -1.29 -3.11 116.25 113.62 1dt7 h VAL 8 Ca 0.29 -1.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 1dt7 h VAL 8 Cb 0.14 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1dt7 h VAL 8 CO -0.03 0.44 -0.08 0.00 0.02 0.00 0.00 177.57 177.92 1dt7 h ALA 9 N 1.13 0.78 -1.00 1.67 0.00 -0.78 -2.15 119.26 118.90 1dt7 h ALA 9 Ca 0.09 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1dt7 h ALA 9 Cb 0.72 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1dt7 h ALA 9 CO 0.06 0.67 0.66 -0.07 0.00 0.00 0.00 179.25 180.57 1dt7 h LEU 10 N 0.95 1.15 -0.51 0.00 4.07 -1.34 -2.10 115.31 117.53 1dt7 h LEU 10 Ca 0.15 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.94 1dt7 h LEU 10 Cb 0.65 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1dt7 h LEU 10 CO 0.04 0.84 -0.32 0.40 -1.08 0.00 0.00 178.44 178.32 1dt7 h ILE 11 N 1.36 1.28 -0.04 1.22 2.04 -1.50 -2.34 117.51 119.53 1dt7 h ILE 11 Ca 0.37 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1dt7 h ILE 11 Cb -0.15 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1dt7 h ILE 11 CO -0.08 0.50 0.02 -0.78 0.00 0.00 0.00 178.15 177.81 1dt7 h ASP 12 N 0.72 0.05 -0.44 1.72 1.82 -0.72 -2.32 116.42 117.25 1dt7 h ASP 12 Ca 0.07 -0.07 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1dt7 h ASP 12 Cb 0.89 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1dt7 h ASP 12 CO 0.08 0.11 -0.28 1.62 -1.61 0.00 0.00 179.24 179.16 1dt7 h VAL 13 N -0.01 1.27 -0.88 2.25 3.04 -1.50 -3.00 116.25 117.42 1dt7 h VAL 13 Ca 0.01 -1.45 0.01 0.00 -1.01 0.00 0.00 66.70 64.27 1dt7 h VAL 13 Cb 0.07 1.22 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 1dt7 h VAL 13 CO -0.00 0.50 0.59 0.15 -1.01 0.00 0.00 177.57 177.79 1dt7 h PHE 14 N 0.82 1.11 -0.01 3.17 3.57 -1.35 -1.08 116.94 123.17 1dt7 h PHE 14 Ca 0.09 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1dt7 h PHE 14 Cb 0.87 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1dt7 h PHE 14 CO 0.06 0.69 -0.30 1.25 -2.23 0.00 0.00 178.31 177.78 1dt7 h HIS 15 N 1.19 0.02 -0.90 0.41 2.76 -1.28 -0.76 115.15 116.59 1dt7 h HIS 15 Ca 0.33 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.50 1dt7 h HIS 15 Cb -0.12 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 1dt7 h HIS 15 CO -0.00 0.32 0.59 0.37 -1.30 0.00 0.00 177.93 177.91 1dt7 h GLN 16 N 0.02 1.18 0.00 5.26 5.75 -1.08 -3.03 115.11 123.21 1dt7 h GLN 16 Ca 0.00 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 1dt7 h GLN 16 Cb 0.54 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1dt7 h GLN 16 CO 0.04 0.78 -1.56 0.66 -2.65 0.00 0.00 178.83 176.10 1dt7 n TYR 17 N -4.46 0.52 -0.37 3.99 4.02 -1.10 -4.15 117.16 115.61 1dt7 n TYR 17 Ca 0.10 0.16 0.03 0.00 -0.01 0.00 0.00 57.90 58.17 1dt7 n TYR 17 Cb 0.01 -0.80 0.18 0.00 -0.02 0.00 0.00 39.34 38.71 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1dt7 h SER 18 N 0.00 1.03 -0.24 7.72 4.64 -1.02 -0.09 113.55 125.59 1dt7 h SER 18 Ca -0.06 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 1dt7 h SER 18 Cb 1.17 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.99 1dt7 h SER 18 CO 0.01 0.65 0.21 0.61 -0.87 0.00 0.00 176.83 177.44 1dt7 n GLY 19 N -1.36 3.26 0.11 -0.77 0.00 -1.20 -2.67 105.19 102.56 1dt7 n GLY 19 Ca 0.16 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 1.18 -0.23 0.00 1.61 2.47 -1.24 -3.42 114.38 114.76 1dt7 h ARG 20 Ca 0.14 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1dt7 h ARG 20 Cb 0.98 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 1dt7 h ARG 20 CO 0.37 -0.15 -1.22 0.39 0.56 0.00 0.00 179.97 179.92 1dt7 n GLU 21 N -3.63 0.40 0.00 0.04 1.02 -1.26 -4.98 120.64 112.22 1dt7 n GLU 21 Ca -0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1dt7 n GLU 21 Cb 0.09 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 2.12 0.53 2.39 0.62 0.00 -1.26 -5.02 105.19 104.58 1dt7 n GLY 22 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 6.57 -0.37 1.61 8.00 -1.25 -4.54 116.55 126.57 1dt7 n ASP 23 Ca 0.00 -2.43 -0.02 0.00 0.71 0.00 0.00 54.79 53.05 1dt7 n ASP 23 Cb 0.00 -1.31 0.11 0.00 -0.02 0.00 0.00 41.12 39.89 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 5.27 1.31 0.00 -1.24 3.64 -1.88 -2.38 116.57 121.29 1dt7 h LYS 24 Ca 0.61 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 1dt7 h LYS 24 Cb 0.39 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1dt7 h LYS 24 CO 1.41 0.89 -0.09 1.25 -2.27 0.00 0.00 179.45 180.64 1dt7 h HIS 25 N 1.34 0.00 -3.98 1.91 2.76 -1.86 -3.46 115.15 111.86 1dt7 h HIS 25 Ca 0.36 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.37 1dt7 h HIS 25 Cb -0.12 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 28.64 1dt7 h HIS 25 CO 0.00 0.09 -0.68 0.15 -1.30 0.00 0.00 177.93 176.19 1dt7 s LYS 26 N -3.18 0.37 -0.13 5.26 1.02 -0.90 -4.08 119.74 118.10 1dt7 s LYS 26 Ca 0.06 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 1dt7 s LYS 26 Cb 0.06 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 1dt7 s LYS 26 CO 0.68 -0.06 0.00 -0.51 -0.92 0.00 0.00 175.35 174.54 1dt7 s LEU 27 N -1.66 3.52 -0.01 3.17 2.01 -0.68 -4.52 118.68 120.50 1dt7 s LEU 27 Ca -0.13 0.04 -0.02 0.00 0.01 0.00 0.00 54.13 54.04 1dt7 s LEU 27 Cb -0.07 -1.84 -0.04 0.00 0.01 0.00 0.00 46.19 44.25 1dt7 s LEU 27 CO -0.02 0.27 0.15 -0.75 1.01 0.00 0.00 176.35 177.00 1dt7 s LYS 28 N -0.21 3.31 0.62 1.70 2.20 -1.26 -1.09 119.74 125.01 1dt7 s LYS 28 Ca 0.05 -0.37 0.21 0.00 -0.36 0.00 0.00 55.97 55.50 1dt7 s LYS 28 Cb -0.12 -3.02 0.81 0.00 -1.51 0.00 0.00 37.83 33.98 1dt7 s LYS 28 CO 0.02 0.67 1.32 1.57 -0.36 0.00 0.00 175.35 178.57 1dt7 h LYS 29 N 3.93 0.00 0.08 4.03 2.10 -1.92 0.91 116.57 125.69 1dt7 h LYS 29 Ca -0.49 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 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 0.67 0.00 -0.04 0.77 -2.00 0.00 0.00 179.45 178.85 1dt7 h SER 30 N 0.00 -0.09 -0.53 7.07 0.02 -1.92 -2.62 113.55 115.49 1dt7 h SER 30 Ca 0.34 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1dt7 h SER 30 Cb 2.47 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 65.01 1dt7 h SER 30 CO -0.00 0.58 0.29 -0.33 -1.14 0.00 0.00 176.83 176.22 1dt7 h GLU 31 N -0.94 0.76 -0.87 3.45 5.08 0.23 -2.03 114.58 120.27 1dt7 h GLU 31 Ca -0.01 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dt7 h GLU 31 Cb 0.53 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1dt7 h GLU 31 CO 0.02 0.58 0.57 1.25 -1.00 0.00 0.00 179.01 180.43 1dt7 h LEU 32 N 0.77 0.99 -1.01 1.33 5.85 -0.35 -2.19 115.31 120.70 1dt7 h LEU 32 Ca 0.20 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1dt7 h LEU 32 Cb 0.05 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1dt7 h LEU 32 CO -0.03 0.72 0.67 0.50 -0.34 0.00 0.00 178.44 179.96 1dt7 h LYS 33 N 1.17 1.33 -0.44 1.25 3.64 -0.96 -1.73 116.57 120.83 1dt7 h LYS 33 Ca 0.32 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1dt7 h LYS 33 Cb -0.14 -0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 31.37 1dt7 h LYS 33 CO -0.07 0.88 -0.07 0.93 -2.27 0.00 0.00 179.45 178.85 1dt7 h GLU 34 N 1.37 0.76 -0.31 1.90 3.07 -1.33 0.32 114.58 120.36 1dt7 h GLU 34 Ca 0.37 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1dt7 h GLU 34 Cb -0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 1dt7 h GLU 34 CO -0.08 0.82 0.19 1.25 -1.40 0.00 0.00 179.01 179.79 1dt7 h LEU 35 N 0.70 0.37 0.05 1.33 7.12 -0.80 0.22 115.31 124.30 1dt7 h LEU 35 Ca 0.13 -0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 1dt7 h LEU 35 Cb 0.53 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1dt7 h LEU 35 CO 0.03 0.30 -0.03 0.40 -0.13 0.00 0.00 178.44 179.02 1dt7 h ILE 36 N 0.40 1.29 -0.02 4.05 2.04 -1.00 -2.68 117.51 121.59 1dt7 h ILE 36 Ca 0.11 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1dt7 h ILE 36 Cb 0.00 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1dt7 h ILE 36 CO -0.02 0.33 -0.11 0.78 0.00 0.00 0.00 178.15 179.13 1dt7 h ASN 37 N -0.70 0.13 0.00 1.72 2.35 -0.39 -2.73 115.58 115.96 1dt7 h ASN 37 Ca -0.01 -0.67 -0.14 0.00 -0.55 0.00 0.00 56.30 54.93 1dt7 h ASN 37 Cb 0.60 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.94 1dt7 h ASN 37 CO 0.01 0.78 -0.56 -1.13 -1.65 0.00 0.00 177.43 174.88 1dt7 h ASN 38 N -0.51 0.49 1.29 5.81 -0.00 -1.11 -2.34 115.58 119.21 1dt7 h ASN 38 Ca -0.01 -0.77 0.00 0.00 -0.00 0.00 0.00 56.30 55.52 1dt7 h ASN 38 Cb 0.78 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.95 1dt7 h ASN 38 CO 0.02 1.20 -0.25 -0.08 -0.00 0.00 0.00 177.43 178.32 1dt7 h GLU 39 N -0.17 0.00 -1.03 6.67 4.57 -1.38 -3.36 114.58 119.88 1dt7 h GLU 39 Ca -0.07 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.73 1dt7 h GLU 39 Cb 1.29 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.48 1dt7 h GLU 39 CO 0.11 0.00 -1.17 1.28 -1.18 0.00 0.00 179.01 178.06 1dt7 n LEU 40 N -2.29 1.68 -0.14 1.64 4.77 -1.03 -4.87 117.00 116.76 1dt7 n LEU 40 Ca 0.04 -3.82 -0.09 0.00 -0.03 0.00 0.00 56.01 52.12 1dt7 n LEU 40 Cb 0.45 0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1dt7 n LEU 40 CO 0.33 1.61 0.93 0.77 -1.33 0.00 0.00 177.39 179.70 1dt7 h SER 41 N 2.97 0.56 0.02 -1.43 4.64 -1.54 -1.75 113.55 117.02 1dt7 h SER 41 Ca -0.07 -0.16 -0.38 0.00 -0.47 0.00 0.00 61.79 60.70 1dt7 h SER 41 Cb 1.16 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 63.04 1dt7 h SER 41 CO 0.52 0.57 -2.42 1.57 -0.87 0.00 0.00 176.83 176.20 1dt7 n HIS 42 N -4.64 0.11 -0.38 4.77 -0.00 -1.26 -3.04 115.22 110.78 1dt7 n HIS 42 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 57.72 57.73 1dt7 n HIS 42 Cb 0.14 -1.02 0.11 0.00 -0.00 0.00 0.00 29.99 29.22 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 0.01 1.27 -3.88 1.57 3.57 -1.90 -3.40 116.94 114.17 1dt7 h PHE 43 Ca -0.56 0.03 -0.58 0.00 3.53 0.00 0.00 57.97 60.39 1dt7 h PHE 43 Cb 1.95 -0.43 -0.31 0.00 2.79 0.00 0.00 35.95 39.95 1dt7 h PHE 43 CO 0.03 0.80 -0.84 -1.17 -2.23 0.00 0.00 178.31 174.90 1dt7 s LEU 44 N -10.12 1.93 -0.22 0.59 1.98 -0.66 -5.06 118.68 107.12 1dt7 s LEU 44 Ca -0.13 -0.38 -0.36 0.00 -2.89 0.00 0.00 54.13 50.37 1dt7 s LEU 44 Cb 0.18 -1.02 -0.13 0.00 0.66 0.00 0.00 46.19 45.88 1dt7 s LEU 44 CO 0.82 0.16 1.94 -1.84 -1.89 0.00 0.00 176.35 175.54 1dt7 n GLU 45 N 3.15 1.57 -1.48 1.98 0.28 -1.26 -4.18 120.64 120.70 1dt7 n GLU 45 Ca -0.18 0.54 -0.38 0.00 -0.16 0.00 0.00 57.16 56.98 1dt7 n GLU 45 Cb 0.53 -2.45 0.05 0.00 1.43 0.00 0.00 31.44 30.99 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1dt7 n GLU 46 N 6.78 0.58 -3.00 3.44 2.13 -1.17 -4.93 120.64 124.46 1dt7 n GLU 46 Ca 0.29 0.23 -0.39 0.00 0.66 0.00 0.00 57.16 57.96 1dt7 n GLU 46 Cb 0.23 -1.86 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 1dt7 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1dt7 s ILE 47 N -1.69 4.41 -0.16 6.31 -1.09 -1.26 -4.97 121.20 122.75 1dt7 s ILE 47 Ca 0.71 1.61 0.13 0.00 -2.23 0.00 0.00 60.65 60.87 1dt7 s ILE 47 Cb -0.42 -4.07 -0.19 0.00 -1.58 0.00 0.00 42.46 36.20 1dt7 s ILE 47 CO 0.52 0.43 0.36 0.29 -1.23 0.00 0.00 174.94 175.31 1dt7 n LYS 48 N 1.34 0.95 -3.89 2.79 4.76 -1.26 -4.99 118.16 117.86 1dt7 n LYS 48 Ca -0.05 -0.09 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 1dt7 n LYS 48 Cb 0.49 -1.27 -0.13 0.00 -1.84 0.00 0.00 35.03 32.28 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 -2.77 0.06 0.55 1.97 2.56 -1.26 -5.03 118.70 114.78 1dt7 s GLU 49 Ca -0.03 -0.11 0.22 0.00 0.00 0.00 0.00 54.97 55.05 1dt7 s GLU 49 Cb 0.09 0.02 1.51 0.00 2.00 0.00 0.00 34.13 37.75 1dt7 s GLU 49 CO 0.56 -0.01 2.20 1.96 -0.56 0.00 0.00 175.26 179.40 1dt7 h GLN 50 N 5.88 0.00 -0.88 4.30 1.08 -2.01 -2.54 115.11 120.94 1dt7 h GLN 50 Ca -0.25 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1dt7 h GLN 50 Cb 1.21 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.60 1dt7 h GLN 50 CO 0.49 0.00 0.58 1.05 -0.95 0.00 0.00 178.83 180.01 1dt7 h GLU 51 N 0.00 1.16 -1.00 1.46 4.11 -1.99 -1.63 114.58 116.68 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 0.00 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 28.94 1dt7 h GLU 51 CO -0.00 0.77 0.66 0.28 0.07 0.00 0.00 179.01 180.79 1dt7 h VAL 52 N 1.19 1.26 -0.58 -1.06 2.07 -1.89 -1.38 116.25 115.87 1dt7 h VAL 52 Ca 0.32 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1dt7 h VAL 52 Cb -0.14 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.39 1dt7 h VAL 52 CO -0.07 0.25 0.04 0.58 0.02 0.00 0.00 177.57 178.39 1dt7 h VAL 53 N 1.36 1.25 -0.40 2.57 2.07 -1.43 -2.18 116.25 119.49 1dt7 h VAL 53 Ca 0.37 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1dt7 h VAL 53 Cb -0.16 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1dt7 h VAL 53 CO -0.08 0.38 -0.05 -0.78 0.02 0.00 0.00 177.57 177.06 1dt7 h ASP 54 N 0.90 0.64 -0.54 0.57 1.82 -0.57 -0.41 116.42 118.83 1dt7 h ASP 54 Ca 0.17 -0.16 -0.12 0.00 -0.39 0.00 0.00 57.03 56.54 1dt7 h ASP 54 Cb 0.46 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 1dt7 h ASP 54 CO 0.02 0.74 -0.13 0.50 -1.61 0.00 0.00 179.24 178.77 1dt7 h LYS 55 N 0.62 1.03 -0.19 0.28 3.64 -1.02 -1.32 116.57 119.61 1dt7 h LYS 55 Ca 0.12 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 1dt7 h LYS 55 Cb 0.46 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1dt7 h LYS 55 CO 0.02 1.09 -0.13 0.28 -2.27 0.00 0.00 179.45 178.43 1dt7 h VAL 56 N 0.91 1.20 0.00 2.00 2.07 -0.95 -1.66 116.25 119.82 1dt7 h VAL 56 Ca 0.14 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 1dt7 h VAL 56 Cb 0.70 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1dt7 h VAL 56 CO 0.05 0.28 -0.49 0.24 0.02 0.00 0.00 177.57 177.67 1dt7 h MET 57 N 0.29 0.00 -1.01 1.57 2.86 -0.18 -0.38 114.93 118.09 1dt7 h MET 57 Ca 0.06 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1dt7 h MET 57 Cb 0.42 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 1dt7 h MET 57 CO 0.02 0.49 0.66 1.49 1.06 0.00 0.00 176.91 180.63 1dt7 h GLU 58 N 0.00 1.26 -0.06 1.72 4.81 -0.28 3.74 114.58 125.77 1dt7 h GLU 58 Ca -0.00 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 1dt7 h GLU 58 Cb 0.87 -0.28 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1dt7 h GLU 58 CO 0.06 0.84 -0.64 1.15 -0.73 0.00 0.00 179.01 179.69 1dt7 h THR 59 N 1.30 1.36 0.00 0.32 2.02 -1.37 -3.31 112.91 113.23 1dt7 h THR 59 Ca 0.39 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1dt7 h THR 59 Cb -0.05 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1dt7 h THR 59 CO -0.11 0.59 -0.80 -0.07 0.37 0.00 0.00 175.52 175.50 1dt7 h LEU 60 N 0.14 0.00 -5.31 2.58 3.38 -0.57 -3.37 115.31 112.16 1dt7 h LEU 60 Ca -0.06 -0.15 -0.69 0.00 0.09 0.00 0.00 57.88 57.07 1dt7 h LEU 60 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1dt7 h LEU 60 CO 0.13 0.08 3.51 -0.67 0.09 0.00 0.00 178.44 181.57 1dt7 n ASP 61 N -2.31 7.62 -0.37 -0.43 2.03 1.23 -4.60 116.55 119.73 1dt7 n ASP 61 Ca 0.02 -2.70 -0.02 0.00 0.52 0.00 0.00 54.79 52.61 1dt7 n ASP 61 Cb 0.48 -1.56 0.12 0.00 -0.72 0.00 0.00 41.12 39.45 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 5.18 1.30 -0.00 -0.67 5.08 -1.79 0.32 114.58 123.99 1dt7 h GLU 62 Ca 0.78 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1dt7 h GLU 62 Cb 0.36 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1dt7 h GLU 62 CO 1.77 0.86 -0.04 -0.40 -1.00 0.00 0.00 179.01 180.20 1dt7 n ASP 63 N -4.39 0.08 -2.04 1.42 5.75 -1.26 -4.91 116.55 111.20 1dt7 n ASP 63 Ca 0.12 0.03 -0.13 0.00 -0.01 0.00 0.00 54.79 54.79 1dt7 n ASP 63 Cb 0.02 -0.31 0.03 0.00 -1.03 0.00 0.00 41.12 39.83 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 64 N 1.37 0.04 0.70 6.12 0.00 0.10 -4.91 105.19 108.60 1dt7 n GLY 64 Ca 0.11 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 2.47 0.00 1.61 5.75 -1.26 -4.93 116.55 119.31 1dt7 n ASP 65 Ca -0.03 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1dt7 n ASP 65 Cb 0.55 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.97 0.62 2.86 6.12 0.00 -1.26 -4.97 105.19 109.52 1dt7 n GLY 66 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.25 0.26 -0.20 1.61 2.02 -1.26 -2.94 118.70 117.95 1dt7 s GLU 67 Ca 0.00 -0.00 -0.09 0.00 0.02 0.00 0.00 54.97 54.90 1dt7 s GLU 67 Cb 0.00 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.83 1dt7 s GLU 67 CO 0.00 -0.05 0.10 0.00 0.02 0.00 0.00 175.26 175.34 1dt7 s ASP 69 N 0.51 3.91 0.32 0.00 -4.77 -1.26 -1.69 116.67 113.67 1dt7 s ASP 69 Ca 0.06 0.62 0.09 0.00 -3.30 0.00 0.00 52.55 50.02 1dt7 s ASP 69 Cb -0.12 -0.97 0.86 0.00 -1.09 0.00 0.00 42.92 41.60 1dt7 s ASP 69 CO 0.00 -2.27 1.74 0.15 0.70 0.00 0.00 175.17 175.49 1dt7 h PHE 70 N -1.31 1.02 0.23 2.11 3.57 -1.94 0.16 116.94 120.78 1dt7 h PHE 70 Ca -0.46 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1dt7 h PHE 70 Cb 1.30 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1dt7 h PHE 70 CO -0.22 0.10 -0.11 0.37 -2.23 0.00 0.00 178.31 176.22 1dt7 h GLN 71 N 0.62 -0.29 -0.90 1.11 4.15 -1.93 -1.52 115.11 116.34 1dt7 h GLN 71 Ca 0.63 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 60.06 1dt7 h GLN 71 Cb 1.16 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.87 1dt7 h GLN 71 CO -0.46 -0.01 0.53 0.93 -1.93 0.00 0.00 178.83 177.89 1dt7 h GLU 72 N -0.58 1.24 -0.49 1.69 5.08 -1.48 -2.07 114.58 117.98 1dt7 h GLU 72 Ca -0.03 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1dt7 h GLU 72 Cb 0.42 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1dt7 h GLU 72 CO 0.05 0.88 0.03 0.35 -1.00 0.00 0.00 179.01 179.32 1dt7 h PHE 73 N 1.25 0.84 -0.89 4.33 3.57 -0.74 -2.78 116.94 122.51 1dt7 h PHE 73 Ca 0.32 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1dt7 h PHE 73 Cb -0.02 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 1dt7 h PHE 73 CO 0.01 0.76 0.59 0.52 -2.23 0.00 0.00 178.31 177.96 1dt7 h MET 74 N 0.75 1.16 -0.00 1.11 2.86 -0.56 -2.18 114.93 118.07 1dt7 h MET 74 Ca 0.15 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1dt7 h MET 74 Cb 0.42 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1dt7 h MET 74 CO 0.01 0.77 -0.40 0.00 1.06 0.00 0.00 176.91 178.36 1dt7 h ALA 75 N 1.45 1.33 -0.98 6.32 0.00 -1.22 -2.68 119.26 123.48 1dt7 h ALA 75 Ca 0.33 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dt7 h ALA 75 Cb -0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1dt7 h ALA 75 CO -0.07 0.50 0.65 0.35 0.00 0.00 0.00 179.25 180.68 1dt7 h PHE 76 N 0.01 1.23 -0.98 0.00 3.57 -1.37 -1.99 116.94 117.41 1dt7 h PHE 76 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1dt7 h PHE 76 Cb 0.71 -0.42 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1dt7 h PHE 76 CO 0.00 0.77 0.63 0.28 -2.23 0.00 0.00 178.31 177.77 1dt7 h VAL 77 N 1.33 1.26 -0.58 1.41 2.07 -1.45 -2.19 116.25 118.10 1dt7 h VAL 77 Ca 0.36 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1dt7 h VAL 77 Cb -0.15 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.43 1dt7 h VAL 77 CO -0.08 0.25 -0.06 -1.28 0.02 0.00 0.00 177.57 176.43 1dt7 h SER 78 N 1.34 1.05 -0.33 0.57 0.87 -1.35 -1.98 113.55 113.71 1dt7 h SER 78 Ca 0.36 -0.33 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 1dt7 h SER 78 Cb -0.13 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.54 1dt7 h SER 78 CO -0.07 1.13 -0.37 0.24 -0.53 0.00 0.00 176.83 177.23 1dt7 h MET 79 N 0.95 0.83 -0.13 2.24 2.07 -1.20 -2.99 114.93 116.69 1dt7 h MET 79 Ca 0.16 -0.45 -0.12 0.00 -2.07 0.00 0.00 59.70 57.22 1dt7 h MET 79 Cb 0.63 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.37 1dt7 h MET 79 CO 0.04 1.09 -0.44 0.28 1.07 0.00 0.00 176.91 178.94 1dt7 h VAL 80 N 0.61 1.32 -1.00 -2.22 2.07 -1.38 -2.81 116.25 112.84 1dt7 h VAL 80 Ca 0.05 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1dt7 h VAL 80 Cb 0.95 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 1dt7 h VAL 80 CO 0.09 0.49 0.66 0.74 0.02 0.00 0.00 177.57 179.57 1dt7 h THR 81 N 0.25 1.26 -0.86 2.57 2.02 -1.29 -0.19 112.91 116.67 1dt7 h THR 81 Ca 0.02 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.81 1dt7 h THR 81 Cb 0.89 -0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1dt7 h THR 81 CO 0.07 0.25 0.56 0.74 0.37 0.00 0.00 175.52 177.51 1dt7 h THR 82 N 1.36 1.01 -0.89 3.16 2.02 -1.35 0.28 112.91 118.51 1dt7 h THR 82 Ca 0.37 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1dt7 h THR 82 Cb -0.16 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.24 1dt7 h THR 82 CO -0.08 0.16 0.59 0.00 0.37 0.00 0.00 175.52 176.56 1dt7 h ALA 83 N 1.55 1.37 -0.29 6.16 0.00 -1.02 -0.47 119.26 126.56 1dt7 h ALA 83 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dt7 h ALA 83 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1dt7 h ALA 83 CO -0.15 0.58 0.19 0.00 0.00 0.00 0.00 179.25 179.88 1dt7 h HIS 85 N 0.39 0.47 -0.92 0.00 6.17 -0.64 2.20 115.15 122.83 1dt7 h HIS 85 Ca 0.11 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.20 1dt7 h HIS 85 Cb -0.04 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 29.70 1dt7 h HIS 85 CO -0.00 0.26 0.54 1.49 0.71 0.00 0.00 177.93 180.93 1dt7 h GLU 86 N 0.51 1.25 0.09 5.26 4.22 -1.33 -2.78 114.58 121.80 1dt7 h GLU 86 Ca 0.19 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 1dt7 h GLU 86 Cb 0.06 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1dt7 h GLU 86 CO -0.11 0.88 -0.04 0.35 -2.18 0.00 0.00 179.01 177.91 1dt7 h PHE 87 N 1.27 -0.11 -1.95 0.92 3.04 -0.76 -3.34 116.94 116.01 1dt7 h PHE 87 Ca 0.33 -0.00 -0.78 0.00 3.98 0.00 0.00 57.97 61.50 1dt7 h PHE 87 Cb -0.04 0.04 -0.20 0.00 2.56 0.00 0.00 35.95 38.31 1dt7 h PHE 87 CO 0.00 0.42 1.57 0.34 -2.02 0.00 0.00 178.31 178.63 1dt7 n PHE 88 N -4.85 2.62 -2.64 0.41 7.35 0.73 -4.94 117.46 116.14 1dt7 n PHE 88 Ca -0.08 -2.69 -0.42 0.00 -0.76 0.00 0.00 57.45 53.50 1dt7 n PHE 88 Cb 0.29 -1.64 -0.03 0.00 0.35 0.00 0.00 39.48 38.45 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1dt7 s GLU 89 N -1.22 3.26 0.25 -4.13 -1.05 -1.06 -4.69 118.70 110.07 1dt7 s GLU 89 Ca 0.38 -0.60 -0.06 0.00 -0.15 0.00 0.00 54.97 54.54 1dt7 s GLU 89 Cb 0.10 -4.43 0.26 0.00 -0.44 0.00 0.00 34.13 29.62 1dt7 s GLU 89 CO 0.02 -2.07 1.93 1.12 0.95 0.00 0.00 175.26 177.21 1dt7 h HIS 90 N 9.83 1.27 0.00 4.83 2.07 -1.92 -3.52 115.15 127.70 1dt7 h HIS 90 Ca -0.18 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1dt7 h HIS 90 Cb 1.05 -0.43 0.00 0.00 2.57 0.00 0.00 27.41 30.60 1dt7 h HIS 90 CO 1.12 0.80 0.00 -1.91 -3.07 0.00 0.00 177.93 174.87