#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 -5.26 0.00 6.12 2.88 -1.26 -4.75 113.62 111.35 1dt7 n SER 1 Ca 0.00 0.32 0.10 0.00 -1.33 0.00 0.00 58.87 57.96 1dt7 n SER 1 Cb 0.00 -4.13 0.61 0.00 -0.75 0.00 0.00 64.21 59.94 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1dt7 n GLU 2 N -1.23 0.80 -0.45 -1.46 1.02 -1.26 -3.93 120.64 114.14 1dt7 n GLU 2 Ca -0.13 0.00 0.41 0.00 -0.02 0.00 0.00 57.16 57.42 1dt7 n GLU 2 Cb 0.58 -1.40 0.72 0.00 -0.02 0.00 0.00 31.44 31.32 1dt7 n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dt7 h LEU 3 N 0.00 0.00 -0.48 -4.62 5.85 -1.99 1.32 115.31 115.39 1dt7 h LEU 3 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1dt7 h LEU 3 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1dt7 h LEU 3 CO 0.00 0.00 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.79 1dt7 h GLU 4 N 0.00 1.00 -0.33 1.25 4.22 -1.99 -2.21 114.58 116.53 1dt7 h GLU 4 Ca 0.69 -0.44 -0.16 0.00 0.08 0.00 0.00 59.36 59.54 1dt7 h GLU 4 Cb 3.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 32.22 1dt7 h GLU 4 CO -0.01 1.12 -0.42 -0.22 -2.18 0.00 0.00 179.01 177.30 1dt7 h LYS 5 N 0.86 0.82 -0.50 1.92 3.11 0.14 -2.92 116.57 120.01 1dt7 h LYS 5 Ca 0.11 -0.45 -0.13 0.00 -2.81 0.00 0.00 60.65 57.37 1dt7 h LYS 5 Cb 0.82 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.06 1dt7 h LYS 5 CO 0.07 1.08 -0.20 0.00 -2.81 0.00 0.00 179.45 177.59 1dt7 h ALA 6 N 0.85 0.69 -0.63 5.00 0.00 -1.24 -2.03 119.26 121.91 1dt7 h ALA 6 Ca 0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1dt7 h ALA 6 Cb 1.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1dt7 h ALA 6 CO 0.10 0.68 0.02 0.52 0.00 0.00 0.00 179.25 180.56 1dt7 h MET 7 N 0.88 1.09 -0.58 0.00 2.86 -1.42 -2.39 114.93 115.37 1dt7 h MET 7 Ca 0.12 -0.34 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 1dt7 h MET 7 Cb 0.79 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1dt7 h MET 7 CO 0.07 1.05 0.03 0.28 1.06 0.00 0.00 176.91 179.39 1dt7 h VAL 8 N 1.00 1.26 -0.53 -2.22 2.07 -1.41 -3.09 116.25 113.32 1dt7 h VAL 8 Ca 0.18 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 1dt7 h VAL 8 Cb 0.55 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1dt7 h VAL 8 CO 0.03 0.39 -0.14 0.00 0.02 0.00 0.00 177.57 177.87 1dt7 h ALA 9 N 1.11 0.74 -1.00 1.67 0.00 -1.11 -2.22 119.26 118.45 1dt7 h ALA 9 Ca 0.17 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1dt7 h ALA 9 Cb 0.49 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1dt7 h ALA 9 CO 0.02 0.68 0.66 -0.07 0.00 0.00 0.00 179.25 180.54 1dt7 h LEU 10 N 0.91 1.15 -0.63 0.00 3.38 -1.36 -1.87 115.31 116.88 1dt7 h LEU 10 Ca 0.13 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1dt7 h LEU 10 Cb 0.71 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1dt7 h LEU 10 CO 0.05 0.83 0.02 0.40 0.09 0.00 0.00 178.44 179.84 1dt7 h ILE 11 N 1.35 1.27 -0.28 1.22 2.04 -1.44 -2.77 117.51 118.89 1dt7 h ILE 11 Ca 0.37 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1dt7 h ILE 11 Cb -0.16 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1dt7 h ILE 11 CO -0.08 0.42 0.18 0.44 0.00 0.00 0.00 178.15 179.11 1dt7 h ASP 12 N 1.00 0.32 -0.85 1.72 3.32 -0.72 -2.08 116.42 119.12 1dt7 h ASP 12 Ca 0.18 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1dt7 h ASP 12 Cb 0.54 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1dt7 h ASP 12 CO 0.03 0.24 0.40 0.58 -1.72 0.00 0.00 179.24 178.77 1dt7 h VAL 13 N 0.37 1.26 -0.75 -1.35 2.07 -1.45 -2.00 116.25 114.41 1dt7 h VAL 13 Ca 0.10 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1dt7 h VAL 13 Cb -0.03 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1dt7 h VAL 13 CO -0.02 0.32 0.49 0.15 0.02 0.00 0.00 177.57 178.53 1dt7 h PHE 14 N 1.22 0.92 -0.18 1.57 3.04 -1.18 -1.98 116.94 120.35 1dt7 h PHE 14 Ca 0.29 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.17 1dt7 h PHE 14 Cb 0.13 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.31 1dt7 h PHE 14 CO 0.02 0.57 -0.29 1.25 -2.02 0.00 0.00 178.31 177.84 1dt7 h HIS 15 N 0.99 0.39 -0.97 0.41 2.76 -0.68 -0.63 115.15 117.42 1dt7 h HIS 15 Ca 0.28 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1dt7 h HIS 15 Cb -0.08 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 28.74 1dt7 h HIS 15 CO -0.00 0.61 0.64 1.96 -1.30 0.00 0.00 177.93 179.84 1dt7 h GLN 16 N 0.31 1.28 0.00 5.26 7.50 -1.10 -3.09 115.11 125.27 1dt7 h GLN 16 Ca 0.04 -0.08 -0.08 0.00 0.50 0.00 0.00 58.65 59.03 1dt7 h GLN 16 Cb 0.67 -0.29 -0.02 0.00 0.05 0.00 0.00 27.48 27.90 1dt7 h GLN 16 CO 0.05 0.85 -1.64 0.66 -1.50 0.00 0.00 178.83 177.25 1dt7 n TYR 17 N -4.41 0.50 -0.38 2.96 4.02 -1.16 -4.16 117.16 114.53 1dt7 n TYR 17 Ca 0.11 0.15 -0.02 0.00 -0.01 0.00 0.00 57.90 58.14 1dt7 n TYR 17 Cb 0.01 -0.83 0.11 0.00 -0.02 0.00 0.00 39.34 38.61 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 1.16 -0.19 7.72 4.64 -1.03 0.59 113.55 126.44 1dt7 h SER 18 Ca -0.11 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1dt7 h SER 18 Cb 1.29 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1dt7 h SER 18 CO 0.01 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1dt7 n GLY 19 N -1.38 0.60 0.12 -0.77 0.00 -1.19 -3.08 105.19 99.49 1dt7 n GLY 19 Ca 0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 1.15 0.30 0.00 1.61 9.65 -1.03 -3.32 114.38 122.74 1dt7 h ARG 20 Ca 0.00 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 1dt7 h ARG 20 Cb 0.48 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1dt7 h ARG 20 CO 0.05 0.20 -1.63 0.39 2.80 0.00 0.00 179.97 181.78 1dt7 n GLU 21 N -4.93 1.14 0.00 0.20 -0.58 -1.26 -5.00 120.64 110.21 1dt7 n GLU 21 Ca -0.03 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1dt7 n GLU 21 Cb 0.03 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dt7 n GLY 22 N 2.04 1.10 3.20 0.62 0.00 -1.25 -5.04 105.19 105.86 1dt7 n GLY 22 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 4.55 -0.27 1.61 8.00 -1.23 -4.71 116.55 124.50 1dt7 n ASP 23 Ca 0.00 -2.90 -0.07 0.00 0.71 0.00 0.00 54.79 52.53 1dt7 n ASP 23 Cb 0.00 -1.69 0.06 0.00 -0.02 0.00 0.00 41.12 39.47 1dt7 n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dt7 h LYS 24 N 6.81 1.17 0.00 -1.24 1.57 -1.93 -2.60 116.57 120.36 1dt7 h LYS 24 Ca 0.48 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1dt7 h LYS 24 Cb 0.77 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1dt7 h LYS 24 CO 1.62 0.99 -0.07 1.25 -0.57 0.00 0.00 179.45 182.68 1dt7 h HIS 25 N 1.13 0.00 -3.94 -1.35 2.76 -1.87 -3.45 115.15 108.43 1dt7 h HIS 25 Ca 0.25 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.11 1dt7 h HIS 25 Cb 0.30 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 29.05 1dt7 h HIS 25 CO 0.03 0.00 -0.74 0.15 -1.30 0.00 0.00 177.93 176.06 1dt7 s LYS 26 N -3.15 0.63 -0.13 5.26 1.02 -0.98 -3.36 119.74 119.03 1dt7 s LYS 26 Ca 0.09 -0.85 -0.00 0.00 0.02 0.00 0.00 55.97 55.22 1dt7 s LYS 26 Cb 0.10 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 36.98 1dt7 s LYS 26 CO 0.63 0.08 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.50 1dt7 s LEU 27 N -1.74 2.73 0.14 3.17 2.01 -0.69 -4.50 118.68 119.79 1dt7 s LEU 27 Ca -0.06 -0.32 -0.02 0.00 0.01 0.00 0.00 54.13 53.74 1dt7 s LEU 27 Cb -0.09 -1.61 -0.05 0.00 0.01 0.00 0.00 46.19 44.45 1dt7 s LEU 27 CO 0.01 0.17 0.33 -0.54 1.01 0.00 0.00 176.35 177.33 1dt7 s LYS 28 N 0.30 3.53 0.63 1.70 1.02 -1.26 -0.83 119.74 124.83 1dt7 s LYS 28 Ca -0.10 -0.28 0.24 0.00 0.02 0.00 0.00 55.97 55.85 1dt7 s LYS 28 Cb -0.16 -2.90 1.17 0.00 -0.52 0.00 0.00 37.83 35.42 1dt7 s LYS 28 CO 0.05 0.49 1.64 1.57 -0.92 0.00 0.00 175.35 178.18 1dt7 h LYS 29 N 2.61 0.00 0.00 1.68 2.10 -1.87 0.82 116.57 121.91 1dt7 h LYS 29 Ca -0.46 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1dt7 h LYS 29 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1dt7 h LYS 29 CO 0.72 0.00 -0.01 0.66 -2.00 0.00 0.00 179.45 178.82 1dt7 h SER 30 N 0.00 0.00 -0.54 7.07 4.64 -1.91 -2.45 113.55 120.37 1dt7 h SER 30 Ca 0.17 -0.86 -0.02 0.00 -0.47 0.00 0.00 61.79 60.61 1dt7 h SER 30 Cb 1.51 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.57 1dt7 h SER 30 CO -0.00 0.86 0.28 -0.33 -0.87 0.00 0.00 176.83 176.77 1dt7 h GLU 31 N -0.85 0.79 -0.76 4.77 5.08 0.01 -1.22 114.58 122.40 1dt7 h GLU 31 Ca -0.00 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1dt7 h GLU 31 Cb 0.86 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1dt7 h GLU 31 CO 0.00 0.61 0.50 1.25 -1.00 0.00 0.00 179.01 180.37 1dt7 h LEU 32 N 0.79 0.87 -1.00 1.33 5.85 -0.04 -1.84 115.31 121.28 1dt7 h LEU 32 Ca 0.20 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1dt7 h LEU 32 Cb 0.08 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1dt7 h LEU 32 CO -0.03 0.63 0.66 0.50 -0.34 0.00 0.00 178.44 179.87 1dt7 h LYS 33 N 1.03 1.31 -0.37 1.25 1.63 -0.71 -1.77 116.57 118.94 1dt7 h LYS 33 Ca 0.28 -0.08 -0.16 0.00 -0.85 0.00 0.00 60.65 59.84 1dt7 h LYS 33 Cb -0.12 -0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 31.21 1dt7 h LYS 33 CO -0.06 0.87 -0.40 0.93 -3.45 0.00 0.00 179.45 177.33 1dt7 h GLU 34 N 1.35 0.93 -0.09 1.90 3.07 -1.28 0.41 114.58 120.87 1dt7 h GLU 34 Ca 0.37 -0.51 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1dt7 h GLU 34 Cb -0.15 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1dt7 h GLU 34 CO -0.08 1.16 0.05 1.25 -1.40 0.00 0.00 179.01 179.99 1dt7 h LEU 35 N 0.75 0.11 -0.04 1.33 7.12 -1.06 -1.03 115.31 122.50 1dt7 h LEU 35 Ca 0.06 -0.06 -0.13 0.00 0.13 0.00 0.00 57.88 57.88 1dt7 h LEU 35 Cb 1.00 -0.03 0.01 0.00 -0.53 0.00 0.00 40.66 41.11 1dt7 h LEU 35 CO 0.10 0.13 -0.50 0.40 -0.13 0.00 0.00 178.44 178.45 1dt7 h ILE 36 N 0.08 1.42 0.00 4.05 2.04 -1.29 -2.68 117.51 121.12 1dt7 h ILE 36 Ca 0.03 -1.94 -0.20 0.00 1.00 0.00 0.00 64.86 63.75 1dt7 h ILE 36 Cb 0.04 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1dt7 h ILE 36 CO -0.01 0.56 -0.95 -1.13 0.00 0.00 0.00 178.15 176.63 1dt7 h ASN 37 N -0.09 0.00 0.00 1.72 -0.73 -0.19 -3.29 115.58 113.00 1dt7 h ASN 37 Ca -0.05 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.76 1dt7 h ASN 37 Cb 1.18 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.71 1dt7 h ASN 37 CO 0.10 0.95 -2.36 -3.20 -0.37 0.00 0.00 177.43 172.55 1dt7 n ASN 38 N -3.40 1.83 0.06 1.15 4.05 -0.39 -4.43 115.26 114.13 1dt7 n ASN 38 Ca -0.00 -0.11 0.13 0.00 0.45 0.00 0.00 54.58 55.05 1dt7 n ASN 38 Cb 0.90 -0.16 0.50 0.00 1.23 0.00 0.00 39.78 42.25 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 -3.12 0.14 -2.00 1.20 4.07 -1.01 -3.62 120.64 116.29 1dt7 n GLU 39 Ca -0.41 0.13 -0.39 0.00 -0.06 0.00 0.00 57.16 56.42 1dt7 n GLU 39 Cb 0.98 -1.66 0.04 0.00 -0.06 0.00 0.00 31.44 30.73 1dt7 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1dt7 n LEU 40 N -1.90 7.39 -0.34 4.31 7.99 -1.24 -4.82 117.00 128.39 1dt7 n LEU 40 Ca 0.06 -4.90 -0.06 0.00 -0.01 0.00 0.00 56.01 51.10 1dt7 n LEU 40 Cb 0.38 -1.05 -0.02 0.00 -0.11 0.00 0.00 43.42 42.62 1dt7 n LEU 40 CO 0.28 1.81 0.56 0.28 -1.51 0.00 0.00 177.39 178.80 1dt7 h SER 41 N 3.07 -1.63 0.00 -1.43 0.02 -1.83 -3.35 113.55 108.42 1dt7 h SER 41 Ca 0.55 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.80 1dt7 h SER 41 Cb 0.08 0.78 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1dt7 h SER 41 CO 1.39 -0.29 0.00 0.00 -1.14 0.00 0.00 176.83 176.80 1dt7 n HIS 42 N -5.40 0.00 -0.05 3.45 -0.00 -1.26 -4.85 115.22 107.11 1dt7 n HIS 42 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.67 1dt7 n HIS 42 Cb 0.35 0.01 0.04 0.00 -0.00 0.00 0.00 29.99 30.39 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 0.88 -4.01 -1.40 3.57 -1.89 -3.45 116.94 110.63 1dt7 h PHE 43 Ca 0.00 -0.27 -0.19 0.00 3.53 0.00 0.00 57.97 61.04 1dt7 h PHE 43 Cb 0.55 -0.18 -0.18 0.00 2.79 0.00 0.00 35.95 38.93 1dt7 h PHE 43 CO 0.00 1.03 -0.70 -1.17 -2.23 0.00 0.00 178.31 175.24 1dt7 s LEU 44 N -8.64 2.37 -0.09 0.59 2.96 -1.26 -5.08 118.68 109.53 1dt7 s LEU 44 Ca -0.09 -0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 52.76 1dt7 s LEU 44 Cb 0.12 0.03 -0.07 0.00 0.50 0.00 0.00 46.19 46.77 1dt7 s LEU 44 CO 0.85 -0.40 2.00 -0.70 -1.32 0.00 0.00 176.35 176.79 1dt7 s GLU 45 N -2.71 3.74 1.06 1.98 2.56 -1.26 -4.77 118.70 119.30 1dt7 s GLU 45 Ca -0.02 2.27 -0.12 0.00 0.00 0.00 0.00 54.97 57.11 1dt7 s GLU 45 Cb -0.02 -4.22 0.23 0.00 2.00 0.00 0.00 34.13 32.13 1dt7 s GLU 45 CO -0.04 -1.40 1.07 -1.21 -0.56 0.00 0.00 175.26 173.12 1dt7 s GLU 46 N 5.14 -0.15 0.09 4.30 2.02 -1.26 -4.97 118.70 123.88 1dt7 s GLU 46 Ca 0.90 1.11 -0.22 0.00 0.02 0.00 0.00 54.97 56.79 1dt7 s GLU 46 Cb -0.37 -1.62 -0.07 0.00 0.10 0.00 0.00 34.13 32.17 1dt7 s GLU 46 CO 0.37 -3.29 0.66 0.42 0.02 0.00 0.00 175.26 173.44 1dt7 s ILE 47 N -2.54 4.63 -0.05 -1.63 -1.09 -1.26 -4.96 121.20 114.30 1dt7 s ILE 47 Ca 0.68 1.42 0.14 0.00 -2.23 0.00 0.00 60.65 60.65 1dt7 s ILE 47 Cb -0.24 -4.00 -0.21 0.00 -1.58 0.00 0.00 42.46 36.43 1dt7 s ILE 47 CO 0.62 0.51 0.24 0.29 -1.23 0.00 0.00 174.94 175.37 1dt7 n LYS 48 N 1.88 0.81 -4.25 2.79 4.76 -1.26 -4.90 118.16 117.99 1dt7 n LYS 48 Ca -0.08 -0.10 -0.19 0.00 -2.87 0.00 0.00 58.31 55.07 1dt7 n LYS 48 Cb 0.50 -1.34 -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 -1.21 -1.37 0.00 0.00 177.40 174.82 1dt7 s GLU 49 N -2.81 0.87 0.52 1.97 2.02 -1.26 -5.01 118.70 115.00 1dt7 s GLU 49 Ca -0.06 -0.87 0.30 0.00 0.02 0.00 0.00 54.97 54.37 1dt7 s GLU 49 Cb 0.08 -0.88 1.29 0.00 0.10 0.00 0.00 34.13 34.72 1dt7 s GLU 49 CO 0.58 0.21 1.96 1.96 0.02 0.00 0.00 175.26 179.99 1dt7 h GLN 50 N 4.57 0.00 -1.00 1.61 1.08 -2.01 -2.97 115.11 116.39 1dt7 h GLN 50 Ca -0.40 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.81 1dt7 h GLN 50 Cb 1.19 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.57 1dt7 h GLN 50 CO 0.42 0.09 0.66 1.05 -0.95 0.00 0.00 178.83 180.09 1dt7 h GLU 51 N 0.00 1.32 -0.97 1.46 4.11 -2.00 -1.46 114.58 117.04 1dt7 h GLU 51 Ca -0.00 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.36 1dt7 h GLU 51 Cb 0.54 -0.30 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1dt7 h GLU 51 CO 0.01 0.88 0.64 0.28 0.07 0.00 0.00 179.01 180.89 1dt7 h VAL 52 N 1.36 1.25 -0.24 -1.06 2.07 -1.95 -1.39 116.25 116.29 1dt7 h VAL 52 Ca 0.37 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1dt7 h VAL 52 Cb -0.15 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.42 1dt7 h VAL 52 CO -0.08 0.24 -0.25 0.58 0.02 0.00 0.00 177.57 178.08 1dt7 h VAL 53 N 1.32 1.26 -0.52 2.57 2.07 -1.43 -1.63 116.25 119.89 1dt7 h VAL 53 Ca 0.36 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 1dt7 h VAL 53 Cb -0.15 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1dt7 h VAL 53 CO -0.08 0.39 -0.05 0.44 0.02 0.00 0.00 177.57 178.30 1dt7 h ASP 54 N 0.40 0.90 -0.31 0.57 3.32 -0.38 0.33 116.42 121.24 1dt7 h ASP 54 Ca 0.06 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.69 1dt7 h ASP 54 Cb 0.65 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1dt7 h ASP 54 CO 0.05 0.99 -0.41 0.50 -1.72 0.00 0.00 179.24 178.65 1dt7 h LYS 55 N 0.84 0.87 -0.03 3.56 3.64 -1.12 -2.24 116.57 122.10 1dt7 h LYS 55 Ca 0.15 -0.47 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 1dt7 h LYS 55 Cb 0.56 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1dt7 h LYS 55 CO 0.03 1.11 -0.24 0.28 -2.27 0.00 0.00 179.45 178.36 1dt7 h VAL 56 N 0.71 1.19 -0.05 2.00 2.07 -1.01 -0.73 116.25 120.43 1dt7 h VAL 56 Ca 0.05 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1dt7 h VAL 56 Cb 0.99 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1dt7 h VAL 56 CO 0.10 0.26 -0.34 0.24 0.02 0.00 0.00 177.57 177.85 1dt7 h MET 57 N 0.05 0.09 -1.01 1.57 2.86 -0.36 0.62 114.93 118.75 1dt7 h MET 57 Ca 0.01 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1dt7 h MET 57 Cb 0.46 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1dt7 h MET 57 CO 0.03 0.43 0.67 1.49 1.06 0.00 0.00 176.91 180.58 1dt7 h GLU 58 N 0.08 1.30 0.24 1.72 4.81 -0.68 3.17 114.58 125.22 1dt7 h GLU 58 Ca 0.01 -0.08 -0.34 0.00 -0.13 0.00 0.00 59.36 58.82 1dt7 h GLU 58 Cb 0.64 -0.29 0.03 0.00 0.63 0.00 0.00 28.75 29.76 1dt7 h GLU 58 CO 0.05 0.86 -1.52 1.15 -0.73 0.00 0.00 179.01 178.81 1dt7 h THR 59 N 1.34 1.21 0.00 0.32 2.02 -1.27 -3.35 112.91 113.18 1dt7 h THR 59 Ca 0.38 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1dt7 h THR 59 Cb -0.11 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1dt7 h THR 59 CO -0.09 0.82 -0.84 -0.07 0.37 0.00 0.00 175.52 175.70 1dt7 h LEU 60 N 0.12 0.00 -5.19 2.58 3.38 0.54 -3.37 115.31 113.36 1dt7 h LEU 60 Ca -0.28 -0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.00 1dt7 h LEU 60 Cb 2.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 1dt7 h LEU 60 CO 0.25 0.00 3.53 -0.67 0.09 0.00 0.00 178.44 181.65 1dt7 n ASP 61 N -2.74 8.36 -0.38 -0.43 -0.08 1.05 -4.53 116.55 117.81 1dt7 n ASP 61 Ca 0.01 -2.70 -0.02 0.00 -1.51 0.00 0.00 54.79 50.57 1dt7 n ASP 61 Cb 0.55 -1.53 0.11 0.00 2.34 0.00 0.00 41.12 42.59 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 4.98 1.32 0.00 -0.67 5.08 -1.79 0.13 114.58 123.63 1dt7 h GLU 62 Ca 0.83 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1dt7 h GLU 62 Cb 0.31 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1dt7 h GLU 62 CO 1.73 0.87 0.00 -0.25 -1.00 0.00 0.00 179.01 180.36 1dt7 n ASP 63 N -4.38 0.26 -1.74 1.42 8.00 -1.26 -4.88 116.55 113.97 1dt7 n ASP 63 Ca 0.12 0.54 -0.14 0.00 0.71 0.00 0.00 54.79 56.01 1dt7 n ASP 63 Cb 0.01 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1dt7 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dt7 n GLY 64 N 0.88 -0.19 0.74 0.44 0.00 0.46 -4.88 105.19 102.65 1dt7 n GLY 64 Ca 0.05 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.80 2.67 0.00 1.61 5.75 -1.26 -4.92 116.55 119.59 1dt7 n ASP 65 Ca -0.14 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1dt7 n ASP 65 Cb 0.62 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.94 0.63 2.80 6.12 0.00 -1.26 -4.98 105.19 109.45 1dt7 n GLY 66 Ca 0.12 0.00 -0.17 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 -0.11 0.23 -0.20 1.61 2.02 -1.26 -2.48 118.70 118.51 1dt7 s GLU 67 Ca 0.00 0.11 -0.14 0.00 0.02 0.00 0.00 54.97 54.96 1dt7 s GLU 67 Cb 0.00 -0.45 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 1dt7 s GLU 67 CO 0.00 -0.15 0.29 0.00 0.02 0.00 0.00 175.26 175.42 1dt7 s ASP 69 N 0.82 4.12 0.34 0.00 1.01 -1.26 -1.71 116.67 119.99 1dt7 s ASP 69 Ca 0.15 0.89 0.13 0.00 0.71 0.00 0.00 52.55 54.42 1dt7 s ASP 69 Cb -0.14 -1.43 1.07 0.00 1.01 0.00 0.00 42.92 43.44 1dt7 s ASP 69 CO 0.05 -2.16 1.60 0.15 0.21 0.00 0.00 175.17 175.02 1dt7 h PHE 70 N -1.23 0.54 0.07 4.23 3.04 -1.92 0.40 116.94 122.08 1dt7 h PHE 70 Ca -0.48 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.52 1dt7 h PHE 70 Cb 1.33 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.77 1dt7 h PHE 70 CO 0.31 -0.39 -0.03 0.37 -2.02 0.00 0.00 178.31 176.55 1dt7 h GLN 71 N 0.07 -0.09 -0.80 1.11 4.15 -1.91 -1.86 115.11 115.78 1dt7 h GLN 71 Ca 0.73 0.01 0.01 0.00 0.77 0.00 0.00 58.65 60.16 1dt7 h GLN 71 Cb 1.75 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.42 1dt7 h GLN 71 CO -0.78 0.20 0.53 0.93 -1.93 0.00 0.00 178.83 177.78 1dt7 h GLU 72 N -0.38 1.06 -0.40 1.69 5.08 -0.60 -1.99 114.58 119.05 1dt7 h GLU 72 Ca -0.01 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1dt7 h GLU 72 Cb 0.33 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1dt7 h GLU 72 CO 0.02 0.70 -0.13 0.35 -1.00 0.00 0.00 179.01 178.94 1dt7 h PHE 73 N 1.09 0.80 -0.99 4.33 3.04 -1.05 -2.96 116.94 121.20 1dt7 h PHE 73 Ca 0.29 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 62.10 1dt7 h PHE 73 Cb -0.13 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.13 1dt7 h PHE 73 CO -0.02 0.82 0.65 1.98 -2.02 0.00 0.00 178.31 179.72 1dt7 h MET 74 N 0.65 1.31 -0.07 1.11 4.05 -0.59 -2.61 114.93 118.78 1dt7 h MET 74 Ca 0.11 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.33 1dt7 h MET 74 Cb 0.60 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1dt7 h MET 74 CO 0.04 0.88 -0.48 0.00 0.23 0.00 0.00 176.91 177.57 1dt7 h ALA 75 N 1.37 1.05 -0.40 0.39 0.00 -1.29 -3.03 119.26 117.36 1dt7 h ALA 75 Ca 0.36 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1dt7 h ALA 75 Cb -0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1dt7 h ALA 75 CO -0.08 0.64 -0.12 0.35 0.00 0.00 0.00 179.25 180.04 1dt7 h PHE 76 N 0.15 0.77 -0.92 0.00 3.57 -1.43 -2.77 116.94 116.32 1dt7 h PHE 76 Ca 0.01 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1dt7 h PHE 76 Cb 0.91 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1dt7 h PHE 76 CO 0.01 0.79 0.52 0.28 -2.23 0.00 0.00 178.31 177.68 1dt7 h VAL 77 N 0.64 1.26 -0.62 1.41 2.07 -1.40 -2.02 116.25 117.59 1dt7 h VAL 77 Ca 0.11 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 1dt7 h VAL 77 Cb 0.58 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1dt7 h VAL 77 CO 0.04 0.29 0.00 0.77 0.02 0.00 0.00 177.57 178.69 1dt7 h SER 78 N 1.28 1.07 -0.67 0.57 4.64 -1.49 -2.11 113.55 116.83 1dt7 h SER 78 Ca 0.32 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1dt7 h SER 78 Cb 0.00 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 1dt7 h SER 78 CO -0.05 1.11 0.17 0.24 -0.87 0.00 0.00 176.83 177.43 1dt7 h MET 79 N 0.99 1.06 -0.15 4.77 2.07 -1.23 -2.52 114.93 119.93 1dt7 h MET 79 Ca 0.18 -0.25 -0.12 0.00 -2.07 0.00 0.00 59.70 57.43 1dt7 h MET 79 Cb 0.56 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 1dt7 h MET 79 CO 0.03 0.94 -0.43 0.28 1.07 0.00 0.00 176.91 178.80 1dt7 h VAL 80 N 0.99 1.32 -1.01 -2.22 2.07 -1.25 -2.60 116.25 113.54 1dt7 h VAL 80 Ca 0.21 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.15 1dt7 h VAL 80 Cb 0.35 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1dt7 h VAL 80 CO 0.00 0.49 0.67 0.74 0.02 0.00 0.00 177.57 179.49 1dt7 h THR 81 N 0.30 1.25 -0.96 2.57 2.02 -1.07 -0.12 112.91 116.90 1dt7 h THR 81 Ca 0.02 -0.47 0.13 0.00 0.77 0.00 0.00 66.41 66.87 1dt7 h THR 81 Cb 0.89 -0.23 -0.09 0.00 -1.74 0.00 0.00 68.15 66.98 1dt7 h THR 81 CO 0.07 0.25 0.59 0.74 0.37 0.00 0.00 175.52 177.54 1dt7 h THR 82 N 1.36 0.86 -0.98 3.16 2.02 -1.05 0.37 112.91 118.65 1dt7 h THR 82 Ca 0.37 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1dt7 h THR 82 Cb -0.15 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.11 1dt7 h THR 82 CO -0.08 0.16 0.62 0.00 0.37 0.00 0.00 175.52 176.59 1dt7 h ALA 83 N 1.55 1.26 -0.14 6.16 0.00 -0.99 -0.55 119.26 126.55 1dt7 h ALA 83 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1dt7 h ALA 83 Cb 0.56 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dt7 h ALA 83 CO -0.29 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.71 1dt7 h HIS 85 N 0.19 0.08 -0.39 0.00 6.17 -0.41 1.72 115.15 122.51 1dt7 h HIS 85 Ca 0.05 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 1dt7 h HIS 85 Cb -0.02 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 29.86 1dt7 h HIS 85 CO 0.00 0.05 0.13 1.05 0.71 0.00 0.00 177.93 179.88 1dt7 h GLU 86 N 0.09 0.56 0.00 5.26 -0.00 -1.41 -1.10 114.58 117.99 1dt7 h GLU 86 Ca 0.02 -0.08 -0.03 0.00 -0.00 0.00 0.00 59.36 59.27 1dt7 h GLU 86 Cb -0.01 -0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 28.63 1dt7 h GLU 86 CO -0.01 0.49 -0.17 0.35 -0.00 0.00 0.00 179.01 179.67 1dt7 h PHE 87 N 0.56 0.00 -0.00 2.06 3.57 -0.97 -3.08 116.94 119.08 1dt7 h PHE 87 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1dt7 h PHE 87 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1dt7 h PHE 87 CO 0.01 0.14 -0.04 0.34 -2.23 0.00 0.00 178.31 176.52 1dt7 n PHE 88 N -3.12 0.00 -2.43 0.41 -0.00 0.58 -4.62 117.46 108.27 1dt7 n PHE 88 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.09 1dt7 n PHE 88 Cb 0.59 -0.37 -0.03 0.00 -0.00 0.00 0.00 39.48 39.67 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 -2.78 3.17 0.00 -4.13 0.41 -0.96 -4.77 118.70 109.65 1dt7 s GLU 89 Ca 0.21 -0.38 0.29 0.00 -0.41 0.00 0.00 54.97 54.68 1dt7 s GLU 89 Cb 0.20 -4.65 1.32 0.00 -1.78 0.00 0.00 34.13 29.22 1dt7 s GLU 89 CO 0.51 -2.37 1.95 0.72 -0.49 0.00 0.00 175.26 175.58 1dt7 n HIS 90 N 10.15 0.00 -0.15 1.61 8.25 -1.26 -5.07 115.22 128.75 1dt7 n HIS 90 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1dt7 n HIS 90 Cb 0.50 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1dt7 n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37