#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 -5.96 0.00 3.17 3.41 -1.26 -4.80 113.62 108.18 1dt7 n SER 1 Ca 0.00 -0.12 0.07 0.00 -0.26 0.00 0.00 58.87 58.55 1dt7 n SER 1 Cb 0.00 -4.89 0.38 0.00 -0.26 0.00 0.00 64.21 59.44 1dt7 n SER 1 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1dt7 n GLU 2 N -3.38 0.35 -0.08 4.33 2.13 -1.26 -3.29 120.64 119.43 1dt7 n GLU 2 Ca -0.19 0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.71 1dt7 n GLU 2 Cb 0.66 -1.50 0.37 0.00 0.27 0.00 0.00 31.44 31.24 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1dt7 h LEU 3 N 0.00 0.60 -1.00 4.31 7.12 -2.00 -2.54 115.31 121.80 1dt7 h LEU 3 Ca 0.00 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.01 1dt7 h LEU 3 Cb 0.04 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 39.97 1dt7 h LEU 3 CO 0.00 0.43 0.66 -0.33 -0.13 0.00 0.00 178.44 179.08 1dt7 h GLU 4 N 0.71 1.31 -0.01 1.25 5.08 -1.96 -2.06 114.58 118.91 1dt7 h GLU 4 Ca 0.20 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 1dt7 h GLU 4 Cb -0.06 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 1dt7 h GLU 4 CO -0.05 0.87 -0.82 0.87 -1.00 0.00 0.00 179.01 178.89 1dt7 h LYS 5 N 1.35 0.14 -0.35 2.33 1.57 -1.74 -3.09 116.57 116.79 1dt7 h LYS 5 Ca 0.37 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 1dt7 h LYS 5 Cb -0.15 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1dt7 h LYS 5 CO -0.08 0.88 -0.42 0.00 -0.57 0.00 0.00 179.45 179.25 1dt7 h ALA 6 N 1.07 0.52 -0.36 3.86 0.00 -1.15 -1.43 119.26 121.77 1dt7 h ALA 6 Ca -0.03 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1dt7 h ALA 6 Cb 1.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1dt7 h ALA 6 CO 0.12 0.65 -0.38 0.52 0.00 0.00 0.00 179.25 180.16 1dt7 h MET 7 N 0.70 0.87 -0.13 0.00 2.86 -1.46 -2.56 114.93 115.21 1dt7 h MET 7 Ca 0.05 -0.45 -0.12 0.00 -2.06 0.00 0.00 59.70 57.11 1dt7 h MET 7 Cb 1.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1dt7 h MET 7 CO 0.10 1.10 -0.46 0.28 1.06 0.00 0.00 176.91 178.99 1dt7 h VAL 8 N 0.71 1.33 -0.36 -2.22 2.07 -1.53 -3.15 116.25 113.11 1dt7 h VAL 8 Ca 0.06 -1.65 -0.17 0.00 0.82 0.00 0.00 66.70 65.76 1dt7 h VAL 8 Cb 0.96 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1dt7 h VAL 8 CO 0.09 0.50 -0.43 0.00 0.02 0.00 0.00 177.57 177.75 1dt7 h ALA 9 N 1.26 0.56 -0.98 1.67 0.00 -1.10 -2.34 119.26 118.33 1dt7 h ALA 9 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1dt7 h ALA 9 Cb 0.92 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1dt7 h ALA 9 CO 0.08 0.68 0.65 -0.07 0.00 0.00 0.00 179.25 180.59 1dt7 h LEU 10 N 0.73 1.13 -0.73 0.00 3.38 -1.42 -1.59 115.31 116.81 1dt7 h LEU 10 Ca 0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1dt7 h LEU 10 Cb 1.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1dt7 h LEU 10 CO 0.10 0.82 -0.02 0.40 0.09 0.00 0.00 178.44 179.83 1dt7 h ILE 11 N 1.33 1.26 -0.41 1.22 2.04 -1.52 -2.88 117.51 118.56 1dt7 h ILE 11 Ca 0.36 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1dt7 h ILE 11 Cb -0.15 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1dt7 h ILE 11 CO -0.08 0.40 0.26 0.44 0.00 0.00 0.00 178.15 179.17 1dt7 h ASP 12 N 0.87 0.48 -0.82 1.72 3.32 -0.74 -2.91 116.42 118.34 1dt7 h ASP 12 Ca 0.16 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1dt7 h ASP 12 Cb 0.54 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1dt7 h ASP 12 CO 0.03 0.36 0.34 0.58 -1.72 0.00 0.00 179.24 178.84 1dt7 h VAL 13 N 0.55 1.26 -1.00 -1.35 2.07 -1.36 -2.48 116.25 113.94 1dt7 h VAL 13 Ca 0.15 -0.81 0.10 0.00 0.82 0.00 0.00 66.70 66.96 1dt7 h VAL 13 Cb -0.04 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 1dt7 h VAL 13 CO -0.03 0.33 0.64 0.15 0.02 0.00 0.00 177.57 178.68 1dt7 h PHE 14 N 1.19 1.17 0.00 1.57 3.57 -1.31 0.87 116.94 123.99 1dt7 h PHE 14 Ca 0.27 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1dt7 h PHE 14 Cb 0.19 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1dt7 h PHE 14 CO 0.02 0.53 -0.12 1.25 -2.23 0.00 0.00 178.31 177.76 1dt7 h HIS 15 N 1.07 0.00 -0.96 0.41 2.76 -1.36 -0.98 115.15 116.09 1dt7 h HIS 15 Ca 0.47 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.65 1dt7 h HIS 15 Cb 0.35 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 1dt7 h HIS 15 CO -0.00 0.12 0.64 1.96 -1.30 0.00 0.00 177.93 179.34 1dt7 h GLN 16 N 0.00 1.26 0.00 5.26 1.08 -0.43 -3.15 115.11 119.12 1dt7 h GLN 16 Ca -0.00 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1dt7 h GLN 16 Cb 0.86 -0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1dt7 h GLN 16 CO 0.01 0.83 -1.05 2.48 -0.95 0.00 0.00 178.83 180.15 1dt7 n TYR 17 N -4.42 0.00 -0.11 2.96 4.11 -1.23 -4.54 117.16 113.93 1dt7 n TYR 17 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.93 1dt7 n TYR 17 Cb 0.02 -0.03 0.07 0.00 -0.00 0.00 0.00 39.34 39.40 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1dt7 h SER 18 N 0.00 0.85 0.72 9.48 4.64 -1.30 -2.19 113.55 125.75 1dt7 h SER 18 Ca -0.01 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1dt7 h SER 18 Cb 0.45 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1dt7 h SER 18 CO 0.00 1.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.59 1dt7 n GLY 19 N -0.26 -1.25 0.29 -0.77 0.00 -1.19 -3.36 105.19 98.65 1dt7 n GLY 19 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.97 -6.12 1.61 2.43 -1.61 -3.44 114.38 108.22 1dt7 h ARG 20 Ca 0.00 -0.07 -0.56 0.00 -0.81 0.00 0.00 59.98 58.54 1dt7 h ARG 20 Cb 0.36 -0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 1dt7 h ARG 20 CO 0.00 0.66 -0.61 -1.21 -1.51 0.00 0.00 179.97 177.30 1dt7 s GLU 21 N -6.07 2.25 0.61 0.20 2.02 -1.21 -4.99 118.70 111.50 1dt7 s GLU 21 Ca -0.13 -1.55 0.27 0.00 0.02 0.00 0.00 54.97 53.58 1dt7 s GLU 21 Cb 0.15 -2.10 1.30 0.00 0.10 0.00 0.00 34.13 33.58 1dt7 s GLU 21 CO 0.78 0.23 1.71 0.78 0.02 0.00 0.00 175.26 178.78 1dt7 h GLY 22 N 1.77 0.00 -4.44 -1.39 0.00 -1.85 -2.85 103.07 94.32 1dt7 h GLY 22 Ca -0.44 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 1dt7 h GLY 22 CO 0.63 0.00 0.21 1.22 0.00 0.00 0.00 176.54 178.60 1dt7 n ASP 23 N -3.46 3.73 -0.08 0.19 8.00 -1.26 -4.33 116.55 119.34 1dt7 n ASP 23 Ca 0.11 -2.18 -0.15 0.00 0.71 0.00 0.00 54.79 53.28 1dt7 n ASP 23 Cb 0.88 -0.97 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 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 4.21 0.88 0.00 -1.24 3.64 -1.51 -3.14 116.57 119.40 1dt7 h LYS 24 Ca 0.17 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1dt7 h LYS 24 Cb 0.93 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1dt7 h LYS 24 CO 0.44 1.20 -0.19 0.72 -2.27 0.00 0.00 179.45 179.35 1dt7 n HIS 25 N -4.02 0.26 -4.17 1.91 8.25 -1.26 -4.75 115.22 111.44 1dt7 n HIS 25 Ca -0.04 0.08 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1dt7 n HIS 25 Cb 0.63 -0.55 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 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 -3.04 0.85 -0.25 -0.41 -2.85 -1.19 -4.50 119.74 108.34 1dt7 s LYS 26 Ca 0.12 -1.32 0.02 0.00 -1.00 0.00 0.00 55.97 53.79 1dt7 s LYS 26 Cb 0.17 -0.27 0.06 0.00 -2.06 0.00 0.00 37.83 35.73 1dt7 s LYS 26 CO 0.61 -0.00 -0.08 -1.17 0.10 0.00 0.00 175.35 174.81 1dt7 s LEU 27 N -2.97 3.13 0.24 2.77 2.96 -0.97 -4.68 118.68 119.16 1dt7 s LEU 27 Ca 0.11 -1.35 -0.11 0.00 -0.22 0.00 0.00 54.13 52.57 1dt7 s LEU 27 Cb 0.04 -1.39 -0.08 0.00 0.50 0.00 0.00 46.19 45.26 1dt7 s LEU 27 CO -0.04 -0.22 0.59 -1.59 -1.32 0.00 0.00 176.35 173.77 1dt7 s LYS 28 N 1.22 3.85 0.59 1.98 -2.85 -1.26 -1.65 119.74 121.62 1dt7 s LYS 28 Ca -0.06 0.37 0.21 0.00 -1.00 0.00 0.00 55.97 55.49 1dt7 s LYS 28 Cb -0.19 -2.62 0.72 0.00 -2.06 0.00 0.00 37.83 33.68 1dt7 s LYS 28 CO -0.06 0.29 1.18 0.36 0.10 0.00 0.00 175.35 177.23 1dt7 n LYS 29 N -0.13 0.02 -0.04 1.78 2.85 -1.24 0.12 118.16 121.51 1dt7 n LYS 29 Ca 0.01 0.96 -0.15 0.00 -1.05 0.00 0.00 58.31 58.08 1dt7 n LYS 29 Cb 0.52 -2.42 -0.09 0.00 -0.65 0.00 0.00 35.03 32.40 1dt7 n LYS 29 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1dt7 h SER 30 N 0.00 0.46 -0.40 -5.58 0.02 -1.91 -1.89 113.55 104.25 1dt7 h SER 30 Ca 0.39 -0.61 -0.13 0.00 -0.84 0.00 0.00 61.79 60.60 1dt7 h SER 30 Cb 2.65 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 65.04 1dt7 h SER 30 CO -0.00 1.00 -0.23 -0.33 -1.14 0.00 0.00 176.83 176.13 1dt7 h GLU 31 N -0.05 0.90 -1.00 3.45 5.08 0.57 -2.68 114.58 120.86 1dt7 h GLU 31 Ca -0.01 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1dt7 h GLU 31 Cb 0.96 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 1dt7 h GLU 31 CO 0.07 1.03 0.67 1.25 -1.00 0.00 0.00 179.01 181.03 1dt7 h LEU 32 N 0.78 1.15 -1.04 1.33 5.85 -1.42 -1.36 115.31 120.60 1dt7 h LEU 32 Ca 0.10 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1dt7 h LEU 32 Cb 0.78 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1dt7 h LEU 32 CO 0.06 0.83 0.65 0.50 -0.34 0.00 0.00 178.44 180.14 1dt7 h LYS 33 N 1.35 1.29 -0.76 1.25 1.63 -1.03 -2.29 116.57 118.02 1dt7 h LYS 33 Ca 0.37 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 60.03 1dt7 h LYS 33 Cb -0.14 -0.29 -0.03 0.00 -0.60 0.00 0.00 32.23 31.16 1dt7 h LYS 33 CO -0.08 0.85 0.24 1.49 -3.45 0.00 0.00 179.45 178.50 1dt7 h GLU 34 N 1.33 1.17 -0.06 1.90 4.81 -0.94 0.72 114.58 123.51 1dt7 h GLU 34 Ca 0.36 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1dt7 h GLU 34 Cb -0.16 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.05 1dt7 h GLU 34 CO -0.08 0.99 -0.02 1.25 -0.73 0.00 0.00 179.01 180.43 1dt7 h LEU 35 N 1.12 0.11 -0.25 1.64 6.46 -1.13 0.22 115.31 123.50 1dt7 h LEU 35 Ca 0.24 -0.38 -0.12 0.00 -0.12 0.00 0.00 57.88 57.51 1dt7 h LEU 35 Cb 0.30 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1dt7 h LEU 35 CO -0.01 0.46 -0.30 0.40 -0.62 0.00 0.00 178.44 178.38 1dt7 h ILE 36 N -0.24 1.31 0.09 4.05 2.04 -1.26 0.17 117.51 123.68 1dt7 h ILE 36 Ca 0.01 -1.49 -0.27 0.00 1.00 0.00 0.00 64.86 64.12 1dt7 h ILE 36 Cb 0.42 1.70 0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1dt7 h ILE 36 CO 0.01 0.47 -1.14 -1.13 0.00 0.00 0.00 178.15 176.35 1dt7 h ASN 37 N 0.35 0.60 0.03 1.72 -0.73 0.40 -3.17 115.58 114.77 1dt7 h ASN 37 Ca 0.03 -0.56 -0.38 0.00 1.87 0.00 0.00 56.30 57.26 1dt7 h ASN 37 Cb 0.87 -0.19 -0.06 0.00 0.27 0.00 0.00 38.32 39.21 1dt7 h ASN 37 CO 0.07 1.39 -2.39 -3.20 -0.37 0.00 0.00 177.43 172.93 1dt7 n ASN 38 N -3.69 1.62 0.09 1.15 4.05 0.06 -4.36 115.26 114.17 1dt7 n ASN 38 Ca -0.09 -0.06 0.12 0.00 0.45 0.00 0.00 54.58 54.99 1dt7 n ASN 38 Cb 0.95 -0.20 0.02 0.00 1.23 0.00 0.00 39.78 41.78 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1dt7 n GLU 39 N -3.19 0.55 -2.42 1.20 2.13 0.55 -4.22 120.64 115.24 1dt7 n GLU 39 Ca -0.41 0.11 -0.31 0.00 0.66 0.00 0.00 57.16 57.21 1dt7 n GLU 39 Cb 1.03 -1.79 0.01 0.00 0.27 0.00 0.00 31.44 30.95 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 -2.56 5.48 0.15 4.31 4.77 -0.80 -4.81 117.00 123.53 1dt7 n LEU 40 Ca 0.00 -5.20 -0.07 0.00 -0.03 0.00 0.00 56.01 50.72 1dt7 n LEU 40 Cb 0.53 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1dt7 n LEU 40 CO 0.40 2.13 0.21 -1.28 -1.33 0.00 0.00 177.39 177.52 1dt7 h SER 41 N 2.81 -0.37 0.26 -1.43 0.87 -1.76 -3.33 113.55 110.60 1dt7 h SER 41 Ca 0.35 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1dt7 h SER 41 Cb 0.63 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1dt7 h SER 41 CO 1.00 -0.01 -0.61 0.00 -0.53 0.00 0.00 176.83 176.68 1dt7 n HIS 42 N -4.61 0.00 -0.02 2.24 -0.00 -1.26 -4.19 115.22 107.39 1dt7 n HIS 42 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.56 1dt7 n HIS 42 Cb 0.17 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.99 29.98 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 0.41 0.18 -3.05 -1.40 3.04 -1.88 -3.47 116.94 110.77 1dt7 h PHE 43 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1dt7 h PHE 43 Cb 0.52 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 1dt7 h PHE 43 CO 0.00 0.19 0.24 -0.48 -2.02 0.00 0.00 178.31 176.24 1dt7 s LEU 44 N -10.02 -0.05 -0.69 0.59 0.05 -1.25 -5.06 118.68 102.25 1dt7 s LEU 44 Ca -0.13 -0.97 -0.27 0.00 0.05 0.00 0.00 54.13 52.81 1dt7 s LEU 44 Cb 0.07 2.75 -0.13 0.00 -2.05 0.00 0.00 46.19 46.82 1dt7 s LEU 44 CO 0.69 -1.55 2.50 1.21 -0.55 0.00 0.00 176.35 178.64 1dt7 n GLU 45 N -0.50 0.64 -0.82 1.48 4.07 -1.26 -4.66 120.64 119.59 1dt7 n GLU 45 Ca -0.06 -0.06 -0.30 0.00 -0.06 0.00 0.00 57.16 56.68 1dt7 n GLU 45 Cb 0.60 -2.76 0.18 0.00 -0.06 0.00 0.00 31.44 29.40 1dt7 n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1dt7 s GLU 46 N 8.52 0.53 0.25 5.31 -1.05 -1.26 -4.96 118.70 126.05 1dt7 s GLU 46 Ca 1.11 1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 56.75 1dt7 s GLU 46 Cb -0.54 -1.70 -0.09 0.00 -0.44 0.00 0.00 34.13 31.35 1dt7 s GLU 46 CO 0.33 -2.82 0.94 0.42 0.95 0.00 0.00 175.26 175.08 1dt7 s ILE 47 N -2.68 4.08 -0.23 1.83 -1.09 -1.26 -4.95 121.20 116.90 1dt7 s ILE 47 Ca 0.66 2.06 0.15 0.00 -2.23 0.00 0.00 60.65 61.29 1dt7 s ILE 47 Cb -0.22 -4.30 -0.20 0.00 -1.58 0.00 0.00 42.46 36.16 1dt7 s ILE 47 CO 0.60 0.47 0.41 0.29 -1.23 0.00 0.00 174.94 175.48 1dt7 n LYS 48 N 1.41 1.04 -4.04 2.79 4.01 -1.26 -4.80 118.16 117.31 1dt7 n LYS 48 Ca -0.02 -0.09 -0.10 0.00 -0.51 0.00 0.00 58.31 57.59 1dt7 n LYS 48 Cb 0.47 -1.29 -0.11 0.00 -0.51 0.00 0.00 35.03 33.59 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 -2.80 0.47 0.49 1.97 0.41 -1.26 -5.02 118.70 112.96 1dt7 s GLU 49 Ca -0.02 -0.81 0.28 0.00 -0.41 0.00 0.00 54.97 54.02 1dt7 s GLU 49 Cb 0.10 -0.03 1.12 0.00 -1.78 0.00 0.00 34.13 33.54 1dt7 s GLU 49 CO 0.60 -0.02 1.90 -0.56 -0.49 0.00 0.00 175.26 176.69 1dt7 h GLN 50 N 4.24 0.00 -0.94 1.61 -0.00 -2.01 -3.07 115.11 114.95 1dt7 h GLN 50 Ca -0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.30 1dt7 h GLN 50 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.63 1dt7 h GLN 50 CO 0.46 0.12 0.55 1.05 -0.00 0.00 0.00 178.83 181.02 1dt7 h GLU 51 N 0.00 1.29 -0.95 0.06 -0.00 -2.00 -1.54 114.58 111.44 1dt7 h GLU 51 Ca -0.00 -0.13 -0.00 0.00 -0.00 0.00 0.00 59.36 59.23 1dt7 h GLU 51 Cb 0.63 -0.27 -0.05 0.00 -0.00 0.00 0.00 28.75 29.07 1dt7 h GLU 51 CO 0.02 0.91 0.58 0.28 -0.00 0.00 0.00 179.01 180.79 1dt7 h VAL 52 N 1.30 1.26 -0.54 -1.06 2.07 -1.97 -1.18 116.25 116.13 1dt7 h VAL 52 Ca 0.34 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1dt7 h VAL 52 Cb -0.04 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.62 1dt7 h VAL 52 CO -0.06 0.27 0.13 0.58 0.02 0.00 0.00 177.57 178.51 1dt7 h VAL 53 N 1.30 1.23 -0.86 2.57 2.07 -1.43 -1.64 116.25 119.49 1dt7 h VAL 53 Ca 0.34 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1dt7 h VAL 53 Cb -0.07 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1dt7 h VAL 53 CO -0.07 0.30 0.42 -0.78 0.02 0.00 0.00 177.57 177.47 1dt7 h ASP 54 N 0.80 1.12 -0.64 0.57 1.82 -0.33 0.15 116.42 119.91 1dt7 h ASP 54 Ca 0.18 -0.13 -0.08 0.00 -0.39 0.00 0.00 57.03 56.60 1dt7 h ASP 54 Cb 0.30 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1dt7 h ASP 54 CO -0.00 0.93 0.07 0.50 -1.61 0.00 0.00 179.24 179.13 1dt7 h LYS 55 N 1.22 1.09 0.00 0.28 3.64 -0.89 -1.10 116.57 120.82 1dt7 h LYS 55 Ca 0.30 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1dt7 h LYS 55 Cb 0.11 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1dt7 h LYS 55 CO -0.04 1.02 -0.25 0.28 -2.27 0.00 0.00 179.45 178.19 1dt7 h VAL 56 N 1.02 0.95 -0.09 2.00 2.07 -0.53 -1.71 116.25 119.95 1dt7 h VAL 56 Ca 0.19 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1dt7 h VAL 56 Cb 0.48 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1dt7 h VAL 56 CO 0.02 0.24 -0.47 0.24 0.02 0.00 0.00 177.57 177.62 1dt7 h MET 57 N 0.00 0.22 -0.77 1.57 2.86 0.55 0.38 114.93 119.73 1dt7 h MET 57 Ca -0.00 -0.12 0.11 0.00 -2.06 0.00 0.00 59.70 57.63 1dt7 h MET 57 Cb 0.51 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1dt7 h MET 57 CO 0.03 0.65 0.51 0.93 1.06 0.00 0.00 176.91 180.08 1dt7 h GLU 58 N 0.17 0.64 0.02 1.72 5.08 -0.80 2.74 114.58 124.16 1dt7 h GLU 58 Ca 0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1dt7 h GLU 58 Cb 0.90 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1dt7 h GLU 58 CO 0.07 0.42 -0.53 1.15 -1.00 0.00 0.00 179.01 179.12 1dt7 h THR 59 N 0.65 1.48 0.00 1.13 2.02 -1.32 -3.38 112.91 113.49 1dt7 h THR 59 Ca 0.36 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1dt7 h THR 59 Cb 0.52 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 1dt7 h THR 59 CO -0.14 0.55 -0.69 -0.07 0.37 0.00 0.00 175.52 175.55 1dt7 h LEU 60 N -0.87 0.00 -5.40 2.58 3.38 0.10 -3.38 115.31 111.71 1dt7 h LEU 60 Ca -0.13 -0.22 -0.69 0.00 0.09 0.00 0.00 57.88 56.93 1dt7 h LEU 60 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1dt7 h LEU 60 CO -0.03 0.11 3.57 -0.67 0.09 0.00 0.00 178.44 181.51 1dt7 n ASP 61 N -2.13 6.86 -0.37 -0.43 -0.08 0.91 -4.57 116.55 116.75 1dt7 n ASP 61 Ca 0.03 -2.68 -0.01 0.00 -1.51 0.00 0.00 54.79 50.62 1dt7 n ASP 61 Cb 0.45 -1.60 0.13 0.00 2.34 0.00 0.00 41.12 42.44 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 5.39 1.28 0.00 -0.67 5.08 -1.79 0.38 114.58 124.25 1dt7 h GLU 62 Ca 0.76 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1dt7 h GLU 62 Cb 0.42 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1dt7 h GLU 62 CO 1.83 0.85 -0.00 -0.44 -1.00 0.00 0.00 179.01 180.24 1dt7 h ASP 63 N 1.32 0.00 -2.08 1.42 3.32 -1.82 -3.46 116.42 115.12 1dt7 h ASP 63 Ca 0.38 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.14 1dt7 h ASP 63 Cb -0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1dt7 h ASP 63 CO -0.10 0.00 -0.37 0.61 -1.72 0.00 0.00 179.24 177.67 1dt7 n GLY 64 N 0.04 -0.23 0.81 2.75 0.00 0.13 -4.89 105.19 103.80 1dt7 n GLY 64 Ca 0.01 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.79 3.44 -0.52 1.61 5.75 -1.26 -4.92 116.55 119.86 1dt7 n ASP 65 Ca -0.17 -2.42 -0.07 0.00 -0.01 0.00 0.00 54.79 52.12 1dt7 n ASP 65 Cb 0.63 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.18 0.88 3.32 6.12 0.00 -1.26 -4.97 105.19 109.47 1dt7 n GLY 66 Ca 0.16 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.30 0.49 -0.02 1.61 2.12 -1.26 -3.72 118.70 115.62 1dt7 s GLU 67 Ca 0.00 0.62 0.04 0.00 0.36 0.00 0.00 54.97 56.00 1dt7 s GLU 67 Cb 0.00 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 1dt7 s GLU 67 CO 0.00 -0.07 -0.14 0.00 -0.54 0.00 0.00 175.26 174.50 1dt7 s ASP 69 N -0.97 5.32 0.41 0.00 1.01 -1.26 -2.30 116.67 118.88 1dt7 s ASP 69 Ca 0.13 1.60 0.22 0.00 0.71 0.00 0.00 52.55 55.21 1dt7 s ASP 69 Cb -0.11 -2.46 1.21 0.00 1.01 0.00 0.00 42.92 42.57 1dt7 s ASP 69 CO 0.02 -1.48 1.72 0.15 0.21 0.00 0.00 175.17 175.79 1dt7 h PHE 70 N -0.74 0.62 -0.04 4.23 3.57 -1.92 0.42 116.94 123.07 1dt7 h PHE 70 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1dt7 h PHE 70 Cb 1.21 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1dt7 h PHE 70 CO 0.61 -0.04 0.03 0.37 -2.23 0.00 0.00 178.31 177.05 1dt7 h GLN 71 N 0.29 0.06 -0.99 1.11 4.15 -1.96 -1.94 115.11 115.82 1dt7 h GLN 71 Ca 0.67 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 60.10 1dt7 h GLN 71 Cb 1.87 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 29.49 1dt7 h GLN 71 CO -0.35 0.05 0.65 0.93 -1.93 0.00 0.00 178.83 178.18 1dt7 h GLU 72 N 0.04 1.31 -0.90 1.69 5.08 -0.50 -1.68 114.58 119.63 1dt7 h GLU 72 Ca 0.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dt7 h GLU 72 Cb 0.01 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 28.92 1dt7 h GLU 72 CO -0.00 0.88 0.51 0.35 -1.00 0.00 0.00 179.01 179.74 1dt7 h PHE 73 N 1.35 1.22 -0.96 4.33 3.57 -1.16 -2.67 116.94 122.62 1dt7 h PHE 73 Ca 0.36 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.85 1dt7 h PHE 73 Cb -0.14 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 38.16 1dt7 h PHE 73 CO 0.00 0.83 0.63 0.52 -2.23 0.00 0.00 178.31 178.07 1dt7 h MET 74 N 1.25 1.27 -0.26 1.11 2.86 -0.51 -2.32 114.93 118.33 1dt7 h MET 74 Ca 0.32 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1dt7 h MET 74 Cb 0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 1dt7 h MET 74 CO -0.05 0.85 -0.16 0.00 1.06 0.00 0.00 176.91 178.61 1dt7 h ALA 75 N 1.39 1.24 -0.57 6.32 0.00 -1.23 -2.66 119.26 123.75 1dt7 h ALA 75 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dt7 h ALA 75 Cb -0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1dt7 h ALA 75 CO -0.07 0.50 0.35 0.35 0.00 0.00 0.00 179.25 180.38 1dt7 h PHE 76 N 0.42 0.72 -0.23 0.00 3.57 -1.36 -2.13 116.94 117.94 1dt7 h PHE 76 Ca 0.08 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 1dt7 h PHE 76 Cb 0.52 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1dt7 h PHE 76 CO 0.02 0.47 -0.32 0.28 -2.23 0.00 0.00 178.31 176.52 1dt7 h VAL 77 N 0.77 1.28 -0.56 1.41 2.07 -1.42 -2.58 116.25 117.23 1dt7 h VAL 77 Ca 0.21 -1.41 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 1dt7 h VAL 77 Cb -0.06 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1dt7 h VAL 77 CO -0.04 0.44 -0.08 0.77 0.02 0.00 0.00 177.57 178.68 1dt7 h SER 78 N 0.41 1.03 -0.05 0.57 4.64 -1.34 -2.06 113.55 116.76 1dt7 h SER 78 Ca 0.05 -0.34 -0.25 0.00 -0.47 0.00 0.00 61.79 60.78 1dt7 h SER 78 Cb 0.77 -0.28 0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1dt7 h SER 78 CO 0.06 1.13 -0.96 0.00 -0.87 0.00 0.00 176.83 176.19 1dt7 h MET 79 N 0.92 0.73 -0.40 4.77 -0.00 -1.44 -3.02 114.93 116.49 1dt7 h MET 79 Ca 0.15 -0.73 -0.09 0.00 -0.00 0.00 0.00 59.70 59.03 1dt7 h MET 79 Cb 0.64 0.19 -0.02 0.00 -0.00 0.00 0.00 31.60 32.42 1dt7 h MET 79 CO 0.04 1.31 -0.12 0.28 -0.00 0.00 0.00 176.91 178.42 1dt7 h VAL 80 N 0.44 1.25 -1.00 -0.10 2.07 -1.47 -2.63 116.25 114.81 1dt7 h VAL 80 Ca -0.11 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1dt7 h VAL 80 Cb 1.61 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1dt7 h VAL 80 CO 0.19 0.39 0.66 0.74 0.02 0.00 0.00 177.57 179.58 1dt7 h THR 81 N 0.65 1.25 -0.98 2.57 2.02 -1.39 -0.13 112.91 116.90 1dt7 h THR 81 Ca 0.11 -0.46 0.10 0.00 0.77 0.00 0.00 66.41 66.93 1dt7 h THR 81 Cb 0.58 -0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 66.70 1dt7 h THR 81 CO 0.04 0.25 0.63 0.74 0.37 0.00 0.00 175.52 177.54 1dt7 h THR 82 N 1.35 0.97 -0.60 3.16 2.02 -1.33 0.81 112.91 119.29 1dt7 h THR 82 Ca 0.37 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1dt7 h THR 82 Cb -0.15 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.09 1dt7 h THR 82 CO -0.08 0.19 0.40 0.00 0.37 0.00 0.00 175.52 176.40 1dt7 h ALA 83 N 1.52 1.57 -0.50 6.16 0.00 -0.98 -0.60 119.26 126.43 1dt7 h ALA 83 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1dt7 h ALA 83 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dt7 h ALA 83 CO -0.22 0.40 0.33 0.00 0.00 0.00 0.00 179.25 179.75 1dt7 h HIS 85 N 0.68 1.24 -0.62 0.00 6.17 -0.48 2.43 115.15 124.56 1dt7 h HIS 85 Ca 0.18 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.20 1dt7 h HIS 85 Cb -0.08 -0.42 -0.02 0.00 2.52 0.00 0.00 27.41 29.41 1dt7 h HIS 85 CO 0.00 0.76 0.04 0.93 0.71 0.00 0.00 177.93 180.37 1dt7 h GLU 86 N 1.32 1.05 0.00 5.26 5.08 -1.24 -3.01 114.58 123.04 1dt7 h GLU 86 Ca 0.37 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1dt7 h GLU 86 Cb -0.11 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1dt7 h GLU 86 CO -0.09 1.00 -0.85 0.35 -1.00 0.00 0.00 179.01 178.42 1dt7 h PHE 87 N 0.97 0.00 0.00 4.33 3.57 -0.62 -3.28 116.94 121.91 1dt7 h PHE 87 Ca 0.18 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1dt7 h PHE 87 Cb 0.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1dt7 h PHE 87 CO 0.04 0.42 -0.02 0.35 -2.23 0.00 0.00 178.31 176.87 1dt7 h PHE 88 N 0.00 0.00 -0.16 0.41 3.04 0.42 -3.39 116.94 117.26 1dt7 h PHE 88 Ca -0.06 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.76 1dt7 h PHE 88 Cb 1.37 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.84 1dt7 h PHE 88 CO 0.00 0.02 0.83 0.39 -2.02 0.00 0.00 178.31 177.53 1dt7 n GLU 89 N -3.70 0.25 0.26 1.11 -0.58 -1.22 -4.63 120.64 112.13 1dt7 n GLU 89 Ca -0.03 -0.57 0.15 0.00 -0.42 0.00 0.00 57.16 56.30 1dt7 n GLU 89 Cb 0.10 -2.50 0.49 0.00 -0.57 0.00 0.00 31.44 28.95 1dt7 n GLU 89 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 1dt7 h HIS 90 N 11.62 0.00 0.00 -0.32 2.07 -1.94 -3.52 115.15 123.06 1dt7 h HIS 90 Ca 0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1dt7 h HIS 90 Cb 1.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.03 1dt7 h HIS 90 CO 1.27 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 174.22