#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 -3.85 0.00 3.17 2.88 -1.26 -4.74 113.62 109.82 1dt7 n SER 1 Ca 0.00 0.29 0.09 0.00 -1.33 0.00 0.00 58.87 57.92 1dt7 n SER 1 Cb 0.00 -3.47 0.44 0.00 -0.75 0.00 0.00 64.21 60.43 1dt7 n SER 1 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1dt7 n GLU 2 N -2.21 0.13 -0.06 -1.46 0.28 -1.26 -3.71 120.64 112.35 1dt7 n GLU 2 Ca -0.15 0.14 0.22 0.00 -0.16 0.00 0.00 57.16 57.22 1dt7 n GLU 2 Cb 0.51 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 32.33 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 0.00 -0.54 -1.84 5.85 -2.00 0.58 115.31 117.36 1dt7 h LEU 3 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1dt7 h LEU 3 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1dt7 h LEU 3 CO 0.00 0.00 -0.13 -0.08 -0.34 0.00 0.00 178.44 177.89 1dt7 h GLU 4 N 0.00 1.04 0.07 1.25 4.57 -1.97 -2.20 114.58 117.34 1dt7 h GLU 4 Ca 0.35 -0.40 -0.28 0.00 -1.18 0.00 0.00 59.36 57.85 1dt7 h GLU 4 Cb 2.38 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 30.93 1dt7 h GLU 4 CO -0.00 1.09 -1.15 1.57 -1.18 0.00 0.00 179.01 179.34 1dt7 h LYS 5 N 0.92 0.59 -0.35 1.92 2.10 -0.15 -3.13 116.57 118.46 1dt7 h LYS 5 Ca 0.14 -0.73 -0.08 0.00 -2.00 0.00 0.00 60.65 57.98 1dt7 h LYS 5 Cb 0.71 0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 1dt7 h LYS 5 CO 0.05 1.32 -0.08 0.00 -2.00 0.00 0.00 179.45 178.74 1dt7 h ALA 6 N 0.41 0.48 -0.93 0.07 0.00 -1.52 -1.97 119.26 115.79 1dt7 h ALA 6 Ca -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1dt7 h ALA 6 Cb 1.81 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1dt7 h ALA 6 CO 0.22 0.33 0.55 0.52 0.00 0.00 0.00 179.25 180.86 1dt7 h MET 7 N 0.46 1.27 -0.68 0.00 2.86 -1.50 -1.69 114.93 115.66 1dt7 h MET 7 Ca 0.09 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1dt7 h MET 7 Cb 0.59 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1dt7 h MET 7 CO 0.03 0.90 0.18 0.28 1.06 0.00 0.00 176.91 179.37 1dt7 h VAL 8 N 1.29 1.25 -0.61 -2.22 2.07 -1.47 -2.81 116.25 113.75 1dt7 h VAL 8 Ca 0.33 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1dt7 h VAL 8 Cb -0.03 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1dt7 h VAL 8 CO -0.06 0.35 0.18 0.00 0.02 0.00 0.00 177.57 178.06 1dt7 h ALA 9 N 1.18 1.16 -1.00 1.67 0.00 -0.54 -2.22 119.26 119.51 1dt7 h ALA 9 Ca 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dt7 h ALA 9 Cb 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1dt7 h ALA 9 CO -0.00 0.58 0.67 -0.07 0.00 0.00 0.00 179.25 180.42 1dt7 h LEU 10 N 0.90 1.15 -0.63 0.00 4.07 -1.12 -1.82 115.31 117.87 1dt7 h LEU 10 Ca 0.20 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.01 1dt7 h LEU 10 Cb 0.28 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1dt7 h LEU 10 CO -0.01 0.83 -0.18 0.40 -1.08 0.00 0.00 178.44 178.41 1dt7 h ILE 11 N 1.36 1.27 -0.71 1.22 2.04 -1.42 -2.51 117.51 118.76 1dt7 h ILE 11 Ca 0.37 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1dt7 h ILE 11 Cb -0.16 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1dt7 h ILE 11 CO -0.08 0.45 0.21 0.44 0.00 0.00 0.00 178.15 179.17 1dt7 h ASP 12 N 0.78 1.05 -0.33 1.72 3.32 -0.76 -2.39 116.42 119.81 1dt7 h ASP 12 Ca 0.11 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 1dt7 h ASP 12 Cb 0.72 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1dt7 h ASP 12 CO 0.06 0.99 -0.40 1.62 -1.72 0.00 0.00 179.24 179.79 1dt7 h VAL 13 N 1.06 1.28 -1.01 -1.35 3.04 -1.34 -2.92 116.25 115.00 1dt7 h VAL 13 Ca 0.23 -1.57 0.01 0.00 -1.01 0.00 0.00 66.70 64.36 1dt7 h VAL 13 Cb 0.33 1.41 -0.05 0.00 -2.01 0.00 0.00 31.29 30.97 1dt7 h VAL 13 CO -0.00 0.52 0.67 0.15 -1.01 0.00 0.00 177.57 177.90 1dt7 h PHE 14 N 0.72 1.27 -0.29 3.17 3.04 -1.28 -1.39 116.94 122.17 1dt7 h PHE 14 Ca 0.06 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.01 1dt7 h PHE 14 Cb 0.98 -0.43 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 1dt7 h PHE 14 CO 0.06 0.79 0.05 1.25 -2.02 0.00 0.00 178.31 178.44 1dt7 h HIS 15 N 1.36 0.43 -1.01 0.41 2.76 -1.25 -1.49 115.15 116.36 1dt7 h HIS 15 Ca 0.37 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1dt7 h HIS 15 Cb -0.15 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.63 1dt7 h HIS 15 CO -0.00 0.39 0.67 1.96 -1.30 0.00 0.00 177.93 179.65 1dt7 h GLN 16 N 0.42 1.33 0.00 5.26 1.08 -1.11 -2.84 115.11 119.24 1dt7 h GLN 16 Ca 0.10 -0.08 -0.28 0.00 -1.45 0.00 0.00 58.65 56.94 1dt7 h GLN 16 Cb 0.20 -0.30 -0.05 0.00 -0.05 0.00 0.00 27.48 27.28 1dt7 h GLN 16 CO -0.00 0.88 -1.72 0.66 -0.95 0.00 0.00 178.83 177.70 1dt7 n TYR 17 N -4.38 0.91 -0.37 2.96 4.02 -1.07 -3.95 117.16 115.28 1dt7 n TYR 17 Ca 0.12 0.33 -0.02 0.00 -0.01 0.00 0.00 57.90 58.31 1dt7 n TYR 17 Cb 0.01 -1.15 0.11 0.00 -0.02 0.00 0.00 39.34 38.28 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 1.14 0.41 7.72 4.64 -1.19 -0.34 113.55 125.93 1dt7 h SER 18 Ca -0.29 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1dt7 h SER 18 Cb 1.96 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 1dt7 h SER 18 CO 0.07 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 1dt7 n GLY 19 N -1.36 -1.14 0.16 -0.77 0.00 -1.08 -3.40 105.19 97.60 1dt7 n GLY 19 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.49 -6.24 1.61 2.43 -1.17 -3.43 114.38 108.06 1dt7 h ARG 20 Ca 0.00 -0.03 -0.58 0.00 -0.81 0.00 0.00 59.98 58.56 1dt7 h ARG 20 Cb 0.20 -0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.53 1dt7 h ARG 20 CO 0.00 0.32 -0.69 -1.21 -1.51 0.00 0.00 179.97 176.88 1dt7 s GLU 21 N -6.16 2.05 0.34 0.20 2.02 -1.24 -4.97 118.70 110.95 1dt7 s GLU 21 Ca -0.13 -1.52 0.08 0.00 0.02 0.00 0.00 54.97 53.42 1dt7 s GLU 21 Cb 0.10 -2.03 0.46 0.00 0.10 0.00 0.00 34.13 32.77 1dt7 s GLU 21 CO 0.72 0.36 1.11 0.78 0.02 0.00 0.00 175.26 178.25 1dt7 h GLY 22 N 2.14 0.00 -6.00 -1.39 0.00 -1.85 -3.19 103.07 92.77 1dt7 h GLY 22 Ca -0.43 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.18 1dt7 h GLY 22 CO 0.59 0.00 2.87 1.22 0.00 0.00 0.00 176.54 181.22 1dt7 n ASP 23 N -1.97 4.91 -0.13 0.19 8.00 -1.26 -4.68 116.55 121.60 1dt7 n ASP 23 Ca -0.01 -2.90 -0.12 0.00 0.71 0.00 0.00 54.79 52.47 1dt7 n ASP 23 Cb 0.49 -1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 39.99 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 5.76 0.97 0.00 -1.24 3.64 -1.57 -3.08 116.57 121.04 1dt7 h LYS 24 Ca 0.56 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1dt7 h LYS 24 Cb 0.58 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1dt7 h LYS 24 CO 1.79 1.14 0.00 1.58 -2.27 0.00 0.00 179.45 181.68 1dt7 n HIS 25 N -4.08 0.87 -3.98 1.91 -0.00 -1.26 -4.71 115.22 103.97 1dt7 n HIS 25 Ca -0.01 0.27 -0.10 0.00 0.46 0.00 0.00 57.72 58.34 1dt7 n HIS 25 Cb 0.51 -0.94 -0.07 0.00 -0.12 0.00 0.00 29.99 29.37 1dt7 n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1dt7 s LYS 26 N -3.13 1.13 -0.09 1.57 -2.85 -1.16 -4.35 119.74 110.85 1dt7 s LYS 26 Ca 0.10 -1.20 0.01 0.00 -1.00 0.00 0.00 55.97 53.87 1dt7 s LYS 26 Cb 0.12 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1dt7 s LYS 26 CO 0.56 -0.40 -0.12 -0.51 0.10 0.00 0.00 175.35 174.98 1dt7 s LEU 27 N -2.98 2.83 -0.01 2.77 1.43 -0.75 -4.64 118.68 117.34 1dt7 s LEU 27 Ca 0.18 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1dt7 s LEU 27 Cb 0.04 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1dt7 s LEU 27 CO 0.00 0.26 0.22 -0.75 0.23 0.00 0.00 176.35 176.31 1dt7 s LYS 28 N -0.23 3.50 0.61 1.70 2.20 -1.26 -0.93 119.74 125.33 1dt7 s LYS 28 Ca 0.02 -0.19 0.26 0.00 -0.36 0.00 0.00 55.97 55.69 1dt7 s LYS 28 Cb -0.13 -3.09 0.94 0.00 -1.51 0.00 0.00 37.83 34.04 1dt7 s LYS 28 CO 0.03 0.67 1.34 1.57 -0.36 0.00 0.00 175.35 178.60 1dt7 h LYS 29 N 3.97 0.00 0.06 4.03 2.10 -1.91 1.60 116.57 126.42 1dt7 h LYS 29 Ca -0.50 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.08 1dt7 h LYS 29 Cb 1.19 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1dt7 h LYS 29 CO 0.67 0.00 -0.33 1.03 -2.00 0.00 0.00 179.45 178.82 1dt7 h SER 30 N 0.00 0.19 -0.02 7.07 0.87 -1.91 -2.80 113.55 116.95 1dt7 h SER 30 Ca 0.46 -0.98 -0.13 0.00 -1.23 0.00 0.00 61.79 59.91 1dt7 h SER 30 Cb 2.77 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 64.66 1dt7 h SER 30 CO -0.00 1.16 -0.38 -0.08 -0.53 0.00 0.00 176.83 176.99 1dt7 h GLU 31 N -0.74 0.53 -1.01 2.24 4.81 0.15 -2.78 114.58 117.78 1dt7 h GLU 31 Ca -0.06 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1dt7 h GLU 31 Cb 1.26 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1dt7 h GLU 31 CO 0.06 0.83 0.67 1.25 -0.73 0.00 0.00 179.01 181.09 1dt7 h LEU 32 N 0.44 1.16 -1.01 1.64 5.85 0.42 -2.01 115.31 121.79 1dt7 h LEU 32 Ca 0.04 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1dt7 h LEU 32 Cb 0.87 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1dt7 h LEU 32 CO 0.07 0.84 0.67 0.50 -0.34 0.00 0.00 178.44 180.18 1dt7 h LYS 33 N 1.37 1.33 -1.01 1.25 3.64 -1.20 -1.85 116.57 120.09 1dt7 h LYS 33 Ca 0.37 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1dt7 h LYS 33 Cb -0.16 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 31.31 1dt7 h LYS 33 CO -0.08 0.88 0.66 0.93 -2.27 0.00 0.00 179.45 179.57 1dt7 h GLU 34 N 1.37 1.33 -0.09 1.90 4.39 -1.31 0.80 114.58 122.96 1dt7 h GLU 34 Ca 0.37 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1dt7 h GLU 34 Cb -0.16 -0.30 -0.00 0.00 -0.10 0.00 0.00 28.75 28.19 1dt7 h GLU 34 CO -0.08 0.88 0.05 1.25 -1.16 0.00 0.00 179.01 179.95 1dt7 h LEU 35 N 1.37 0.12 -0.10 1.33 6.46 -1.17 -1.49 115.31 121.83 1dt7 h LEU 35 Ca 0.37 -0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 57.94 1dt7 h LEU 35 Cb -0.15 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1dt7 h LEU 35 CO -0.08 0.17 -0.31 0.40 -0.62 0.00 0.00 178.44 178.00 1dt7 h ILE 36 N 0.05 1.40 -0.40 4.05 2.04 -0.83 -0.19 117.51 123.63 1dt7 h ILE 36 Ca 0.03 -1.65 -0.16 0.00 1.00 0.00 0.00 64.86 64.08 1dt7 h ILE 36 Cb 0.08 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1dt7 h ILE 36 CO -0.01 0.48 -0.36 0.78 0.00 0.00 0.00 178.15 179.05 1dt7 h ASN 37 N -0.06 1.01 0.14 1.72 4.21 0.58 -3.08 115.58 120.11 1dt7 h ASN 37 Ca -0.01 -0.45 -0.35 0.00 1.21 0.00 0.00 56.30 56.70 1dt7 h ASN 37 Cb 0.94 -0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.79 1dt7 h ASN 37 CO 0.07 1.26 -2.19 -3.20 -1.29 0.00 0.00 177.43 172.07 1dt7 n ASN 38 N -4.07 0.38 -0.00 5.81 4.05 -0.56 -3.93 115.26 116.94 1dt7 n ASN 38 Ca -0.02 0.12 0.14 0.00 0.45 0.00 0.00 54.58 55.26 1dt7 n ASN 38 Cb 0.53 0.59 0.57 0.00 1.23 0.00 0.00 39.78 42.71 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 -2.87 0.04 -2.96 1.20 2.13 -0.08 -3.94 120.64 114.15 1dt7 n GLU 39 Ca -0.29 -0.01 -0.19 0.00 0.66 0.00 0.00 57.16 57.33 1dt7 n GLU 39 Cb 1.12 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.31 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 -1.48 2.12 -0.36 4.31 4.77 -1.16 -4.89 117.00 120.32 1dt7 n LEU 40 Ca 0.07 -4.92 -0.03 0.00 -0.03 0.00 0.00 56.01 51.11 1dt7 n LEU 40 Cb 0.33 0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.79 1dt7 n LEU 40 CO 0.28 2.15 1.28 0.77 -1.33 0.00 0.00 177.39 180.54 1dt7 h SER 41 N 2.96 1.10 0.00 -1.43 4.64 -1.68 -3.34 113.55 115.79 1dt7 h SER 41 Ca 0.08 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1dt7 h SER 41 Cb 0.90 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1dt7 h SER 41 CO 0.60 0.80 -0.28 1.41 -0.87 0.00 0.00 176.83 178.49 1dt7 n HIS 42 N -4.42 0.00 -0.32 4.77 8.25 -1.26 -4.53 115.22 117.71 1dt7 n HIS 42 Ca 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1dt7 n HIS 42 Cb 0.01 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.20 1dt7 n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1dt7 h PHE 43 N 0.00 1.24 -3.59 4.41 3.57 -1.90 -3.44 116.94 117.22 1dt7 h PHE 43 Ca 0.00 -0.05 -0.30 0.00 3.53 0.00 0.00 57.97 61.16 1dt7 h PHE 43 Cb 0.00 -0.39 -0.15 0.00 2.79 0.00 0.00 35.95 38.20 1dt7 h PHE 43 CO 0.00 0.88 -0.69 -1.17 -2.23 0.00 0.00 178.31 175.10 1dt7 s LEU 44 N -9.86 2.37 -0.23 0.59 2.96 -1.25 -5.07 118.68 108.19 1dt7 s LEU 44 Ca -0.13 -1.08 -0.32 0.00 -0.22 0.00 0.00 54.13 52.39 1dt7 s LEU 44 Cb 0.17 -0.19 -0.09 0.00 0.50 0.00 0.00 46.19 46.58 1dt7 s LEU 44 CO 0.83 -0.45 2.15 -1.84 -1.32 0.00 0.00 176.35 175.72 1dt7 n GLU 45 N -0.20 1.72 -1.83 1.98 0.28 -1.26 -4.66 120.64 116.66 1dt7 n GLU 45 Ca -0.09 0.51 -0.41 0.00 -0.16 0.00 0.00 57.16 57.01 1dt7 n GLU 45 Cb 0.62 -2.86 -0.00 0.00 1.43 0.00 0.00 31.44 30.63 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 5.87 4.13 0.36 3.44 2.12 -1.26 -4.93 118.70 128.42 1dt7 s GLU 46 Ca 1.02 2.54 -0.27 0.00 0.36 0.00 0.00 54.97 58.62 1dt7 s GLU 46 Cb -0.58 -2.98 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 1dt7 s GLU 46 CO 0.43 -0.50 1.20 0.42 -0.54 0.00 0.00 175.26 176.27 1dt7 s ILE 47 N -1.12 3.05 -0.26 -3.70 -1.09 -1.26 -4.93 121.20 111.89 1dt7 s ILE 47 Ca 0.52 0.97 0.12 0.00 -2.23 0.00 0.00 60.65 60.04 1dt7 s ILE 47 Cb -0.46 -3.58 -0.16 0.00 -1.58 0.00 0.00 42.46 36.68 1dt7 s ILE 47 CO 0.62 0.17 0.37 0.29 -1.23 0.00 0.00 174.94 175.16 1dt7 n LYS 48 N 0.51 1.64 -3.75 2.79 4.01 -1.26 -4.96 118.16 117.14 1dt7 n LYS 48 Ca 0.02 -0.06 -0.13 0.00 -0.51 0.00 0.00 58.31 57.62 1dt7 n LYS 48 Cb 0.45 -1.18 -0.08 0.00 -0.51 0.00 0.00 35.03 33.70 1dt7 n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1dt7 s GLU 49 N -2.50 0.69 0.44 1.97 2.12 -1.26 -5.03 118.70 115.12 1dt7 s GLU 49 Ca -0.00 -0.18 0.09 0.00 0.36 0.00 0.00 54.97 55.25 1dt7 s GLU 49 Cb 0.08 0.31 0.97 0.00 0.26 0.00 0.00 34.13 35.74 1dt7 s GLU 49 CO 0.49 -0.19 2.08 1.96 -0.54 0.00 0.00 175.26 179.06 1dt7 h GLN 50 N 3.82 0.39 -0.77 4.30 1.08 -2.01 -2.59 115.11 119.34 1dt7 h GLN 50 Ca -0.30 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 56.89 1dt7 h GLN 50 Cb 1.18 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.48 1dt7 h GLN 50 CO 0.40 0.26 0.51 1.05 -0.95 0.00 0.00 178.83 180.10 1dt7 h GLU 51 N 0.41 1.01 -1.00 1.46 4.11 -1.99 -1.57 114.58 117.00 1dt7 h GLU 51 Ca 0.11 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.49 1dt7 h GLU 51 Cb -0.04 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 28.93 1dt7 h GLU 51 CO -0.02 0.67 0.66 0.28 0.07 0.00 0.00 179.01 180.66 1dt7 h VAL 52 N 1.04 1.26 -0.68 -1.06 2.07 -1.89 -1.00 116.25 116.00 1dt7 h VAL 52 Ca 0.28 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1dt7 h VAL 52 Cb -0.12 -0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.41 1dt7 h VAL 52 CO -0.06 0.25 0.20 0.58 0.02 0.00 0.00 177.57 178.56 1dt7 h VAL 53 N 1.36 1.25 -0.64 2.57 2.07 -1.40 -2.19 116.25 119.28 1dt7 h VAL 53 Ca 0.37 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1dt7 h VAL 53 Cb -0.15 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1dt7 h VAL 53 CO -0.08 0.34 0.23 0.44 0.02 0.00 0.00 177.57 178.53 1dt7 h ASP 54 N 1.00 0.87 -0.63 0.57 3.32 -0.55 -0.05 116.42 120.96 1dt7 h ASP 54 Ca 0.22 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1dt7 h ASP 54 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1dt7 h ASP 54 CO -0.01 0.80 0.03 0.50 -1.72 0.00 0.00 179.24 178.84 1dt7 h LYS 55 N 0.93 1.09 -0.20 3.56 3.64 -0.90 -0.96 116.57 123.73 1dt7 h LYS 55 Ca 0.21 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1dt7 h LYS 55 Cb 0.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1dt7 h LYS 55 CO -0.02 1.04 -0.18 0.28 -2.27 0.00 0.00 179.45 178.31 1dt7 h VAL 56 N 1.00 1.22 0.00 2.00 2.07 -0.81 -1.71 116.25 120.03 1dt7 h VAL 56 Ca 0.18 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 1dt7 h VAL 56 Cb 0.53 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1dt7 h VAL 56 CO 0.03 0.32 -0.38 0.24 0.02 0.00 0.00 177.57 177.79 1dt7 h MET 57 N 0.31 0.00 -1.01 1.57 2.86 0.05 0.53 114.93 119.25 1dt7 h MET 57 Ca 0.06 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1dt7 h MET 57 Cb 0.50 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1dt7 h MET 57 CO 0.03 0.38 0.67 1.49 1.06 0.00 0.00 176.91 180.54 1dt7 h GLU 58 N 0.00 1.32 0.23 1.72 4.57 -0.25 3.38 114.58 125.56 1dt7 h GLU 58 Ca -0.00 -0.08 -0.34 0.00 -1.18 0.00 0.00 59.36 57.75 1dt7 h GLU 58 Cb 0.79 -0.30 0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1dt7 h GLU 58 CO 0.05 0.87 -1.57 1.15 -1.18 0.00 0.00 179.01 178.34 1dt7 h THR 59 N 1.36 1.17 0.00 0.32 2.02 -1.38 -3.35 112.91 113.06 1dt7 h THR 59 Ca 0.37 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1dt7 h THR 59 Cb -0.16 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1dt7 h THR 59 CO -0.08 0.83 -0.68 0.25 0.37 0.00 0.00 175.52 176.21 1dt7 h LEU 60 N 0.14 0.00 -5.45 2.58 5.85 0.43 -3.37 115.31 115.48 1dt7 h LEU 60 Ca -0.28 -0.10 -0.69 0.00 0.84 0.00 0.00 57.88 57.65 1dt7 h LEU 60 Cb 2.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.17 1dt7 h LEU 60 CO 0.25 0.05 3.45 -0.67 -0.34 0.00 0.00 178.44 181.17 1dt7 n ASP 61 N -2.46 6.86 -0.36 1.25 -0.08 1.12 -4.62 116.55 118.26 1dt7 n ASP 61 Ca 0.02 -2.72 -0.02 0.00 -1.51 0.00 0.00 54.79 50.56 1dt7 n ASP 61 Cb 0.49 -1.58 0.13 0.00 2.34 0.00 0.00 41.12 42.50 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 5.36 1.29 -0.01 -0.67 5.08 -1.80 -0.46 114.58 123.37 1dt7 h GLU 62 Ca 0.74 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 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 1.80 0.85 -0.03 -0.40 -1.00 0.00 0.00 179.01 180.23 1dt7 n ASP 63 N -4.39 0.68 -2.48 1.42 5.75 -1.26 -4.91 116.55 111.36 1dt7 n ASP 63 Ca 0.12 -1.08 -0.18 0.00 -0.01 0.00 0.00 54.79 53.64 1dt7 n ASP 63 Cb 0.02 -0.02 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.14 -0.31 0.77 6.12 0.00 -0.18 -4.88 105.19 107.84 1dt7 n GLY 64 Ca 0.20 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.73 2.65 0.00 1.61 5.75 -1.26 -4.93 116.55 118.64 1dt7 n ASP 65 Ca -0.10 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1dt7 n ASP 65 Cb 0.61 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1dt7 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dt7 n GLY 66 N 1.05 0.50 2.91 6.12 0.00 -1.26 -4.98 105.19 109.53 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 -0.54 0.00 0.00 0.00 173.32 172.78 1dt7 s GLU 67 N -0.32 0.27 -0.20 1.61 2.02 -1.26 -2.87 118.70 117.96 1dt7 s GLU 67 Ca 0.00 -0.09 -0.09 0.00 0.02 0.00 0.00 54.97 54.81 1dt7 s GLU 67 Cb 0.00 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.90 1dt7 s GLU 67 CO 0.00 0.04 0.09 0.00 0.02 0.00 0.00 175.26 175.41 1dt7 s ASP 69 N 0.51 4.51 0.28 0.00 1.01 -1.26 -1.81 116.67 119.91 1dt7 s ASP 69 Ca 0.05 0.78 0.02 0.00 0.71 0.00 0.00 52.55 54.11 1dt7 s ASP 69 Cb -0.12 -1.28 0.57 0.00 1.01 0.00 0.00 42.92 43.11 1dt7 s ASP 69 CO 0.00 -1.90 1.83 0.15 0.21 0.00 0.00 175.17 175.46 1dt7 h PHE 70 N -1.06 1.14 -0.49 4.23 3.57 -1.95 0.71 116.94 123.09 1dt7 h PHE 70 Ca -0.46 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 60.94 1dt7 h PHE 70 Cb 1.33 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1dt7 h PHE 70 CO 0.31 0.43 -0.21 -0.56 -2.23 0.00 0.00 178.31 176.05 1dt7 h GLN 71 N 0.97 0.99 -0.43 1.11 3.07 -1.95 -0.51 115.11 118.36 1dt7 h GLN 71 Ca 0.51 -0.42 -0.15 0.00 0.09 0.00 0.00 58.65 58.68 1dt7 h GLN 71 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 1dt7 h GLN 71 CO -0.28 1.09 -0.31 0.93 0.09 0.00 0.00 178.83 180.35 1dt7 h GLU 72 N 0.86 0.97 0.00 0.06 5.08 -1.49 -2.52 114.58 117.54 1dt7 h GLU 72 Ca 0.11 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1dt7 h GLU 72 Cb 0.78 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1dt7 h GLU 72 CO 0.06 1.14 -0.25 0.35 -1.00 0.00 0.00 179.01 179.31 1dt7 h PHE 73 N 0.81 0.00 -0.98 4.33 3.57 -0.85 -2.69 116.94 121.14 1dt7 h PHE 73 Ca 0.08 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1dt7 h PHE 73 Cb 0.90 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 1dt7 h PHE 73 CO 0.06 0.25 0.65 1.98 -2.23 0.00 0.00 178.31 179.02 1dt7 h MET 74 N 0.00 1.29 -0.23 1.11 4.05 -0.63 -1.65 114.93 118.86 1dt7 h MET 74 Ca -0.00 -0.08 -0.12 0.00 -0.28 0.00 0.00 59.70 59.22 1dt7 h MET 74 Cb 0.70 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1dt7 h MET 74 CO 0.03 0.85 -0.37 0.00 0.23 0.00 0.00 176.91 177.65 1dt7 h ALA 75 N 1.39 0.93 -1.00 0.39 0.00 -1.42 -2.99 119.26 116.55 1dt7 h ALA 75 Ca 0.36 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dt7 h ALA 75 Cb -0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1dt7 h ALA 75 CO -0.08 0.62 0.66 0.35 0.00 0.00 0.00 179.25 180.81 1dt7 h PHE 76 N 0.43 1.26 -0.77 0.00 3.57 -1.30 -2.13 116.94 118.01 1dt7 h PHE 76 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1dt7 h PHE 76 Cb 0.85 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1dt7 h PHE 76 CO 0.03 0.80 0.51 0.28 -2.23 0.00 0.00 178.31 177.70 1dt7 h VAL 77 N 1.36 1.20 -0.51 1.41 2.07 -1.32 -1.84 116.25 118.61 1dt7 h VAL 77 Ca 0.37 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 1dt7 h VAL 77 Cb -0.15 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 1dt7 h VAL 77 CO -0.08 0.19 -0.15 -1.28 0.02 0.00 0.00 177.57 176.28 1dt7 h SER 78 N 1.04 1.02 -0.30 0.57 0.87 -1.40 -2.15 113.55 113.19 1dt7 h SER 78 Ca 0.28 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1dt7 h SER 78 Cb -0.12 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.55 1dt7 h SER 78 CO -0.06 1.15 0.19 0.24 -0.53 0.00 0.00 176.83 177.83 1dt7 h MET 79 N 0.87 0.41 0.00 2.24 2.07 -1.00 -2.75 114.93 116.77 1dt7 h MET 79 Ca 0.13 -0.03 -0.12 0.00 -2.07 0.00 0.00 59.70 57.61 1dt7 h MET 79 Cb 0.72 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.34 1dt7 h MET 79 CO 0.06 0.29 -0.58 0.28 1.07 0.00 0.00 176.91 178.02 1dt7 h VAL 80 N 0.40 1.26 -0.99 -2.22 2.07 -1.39 -3.03 116.25 112.35 1dt7 h VAL 80 Ca 0.11 -2.10 0.01 0.00 0.82 0.00 0.00 66.70 65.53 1dt7 h VAL 80 Cb -0.02 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1dt7 h VAL 80 CO -0.02 0.57 0.64 0.74 0.02 0.00 0.00 177.57 179.52 1dt7 h THR 81 N 0.00 1.26 -1.00 2.57 2.02 -1.10 -0.93 112.91 115.73 1dt7 h THR 81 Ca -0.01 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.70 1dt7 h THR 81 Cb 1.14 -0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1dt7 h THR 81 CO 0.08 0.26 0.66 0.74 0.37 0.00 0.00 175.52 177.62 1dt7 h THR 82 N 1.35 1.23 -0.36 3.16 2.02 -1.38 0.13 112.91 119.07 1dt7 h THR 82 Ca 0.36 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1dt7 h THR 82 Cb -0.13 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.05 1dt7 h THR 82 CO -0.08 0.24 0.23 0.00 0.37 0.00 0.00 175.52 176.29 1dt7 h ALA 83 N 1.39 1.74 -0.77 6.16 0.00 -1.20 -0.69 119.26 125.89 1dt7 h ALA 83 Ca 0.38 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1dt7 h ALA 83 Cb -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1dt7 h ALA 83 CO -0.09 0.24 0.51 0.00 0.00 0.00 0.00 179.25 179.91 1dt7 h HIS 85 N 1.05 1.27 0.00 0.00 6.17 -0.88 1.29 115.15 124.05 1dt7 h HIS 85 Ca 0.28 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.30 1dt7 h HIS 85 Cb -0.12 -0.43 -0.01 0.00 2.52 0.00 0.00 27.41 29.37 1dt7 h HIS 85 CO 0.00 0.80 -0.44 0.93 0.71 0.00 0.00 177.93 179.93 1dt7 h GLU 86 N 1.37 0.00 0.00 5.26 5.08 -1.30 -2.72 114.58 122.27 1dt7 h GLU 86 Ca 0.37 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1dt7 h GLU 86 Cb -0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1dt7 h GLU 86 CO -0.08 0.44 -1.06 0.35 -1.00 0.00 0.00 179.01 177.66 1dt7 h PHE 87 N 0.00 0.00 -1.80 4.33 3.57 -0.52 -3.37 116.94 119.15 1dt7 h PHE 87 Ca -0.00 0.00 -0.77 0.00 3.53 0.00 0.00 57.97 60.72 1dt7 h PHE 87 Cb 0.81 0.00 -0.19 0.00 2.79 0.00 0.00 35.95 39.36 1dt7 h PHE 87 CO 0.00 0.48 1.70 0.34 -2.23 0.00 0.00 178.31 178.60 1dt7 n PHE 88 N -2.97 2.65 -2.58 0.41 -0.00 0.43 -4.94 117.46 110.45 1dt7 n PHE 88 Ca -0.05 -2.71 -0.41 0.00 -0.00 0.00 0.00 57.45 54.28 1dt7 n PHE 88 Cb 0.77 -1.66 -0.03 0.00 -0.00 0.00 0.00 39.48 38.56 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 -1.30 3.22 -0.85 -4.13 2.02 -1.25 -4.86 118.70 111.54 1dt7 s GLU 89 Ca 0.41 -0.37 -0.24 0.00 0.02 0.00 0.00 54.97 54.79 1dt7 s GLU 89 Cb 0.12 -4.28 0.06 0.00 0.10 0.00 0.00 34.13 30.12 1dt7 s GLU 89 CO -0.01 -2.12 1.27 -1.58 0.02 0.00 0.00 175.26 172.85 1dt7 s HIS 90 N 5.51 2.53 -2.68 1.61 5.65 -1.26 -5.19 115.29 121.46 1dt7 s HIS 90 Ca 0.35 -0.58 0.27 0.00 0.25 0.00 0.00 55.06 55.34 1dt7 s HIS 90 Cb -0.08 -4.56 0.74 0.00 -1.18 0.00 0.00 32.58 27.49 1dt7 s HIS 90 CO 0.12 -1.89 1.57 -1.91 -0.65 0.00 0.00 174.74 171.98