#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 -5.43 0.09 6.12 7.64 -1.26 -4.83 113.62 115.95 1dt7 n SER 1 Ca 0.00 -0.69 0.11 0.00 1.01 0.00 0.00 58.87 59.31 1dt7 n SER 1 Cb 0.00 -4.31 0.45 0.00 -1.01 0.00 0.00 64.21 59.34 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1dt7 n GLU 2 N -4.80 0.16 0.20 1.43 1.02 -1.26 -3.62 120.64 113.76 1dt7 n GLU 2 Ca 0.03 0.32 0.10 0.00 -0.02 0.00 0.00 57.16 57.59 1dt7 n GLU 2 Cb 0.54 -1.76 0.29 0.00 -0.02 0.00 0.00 31.44 30.48 1dt7 n GLU 2 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1dt7 h LEU 3 N 0.00 0.00 -0.36 -4.62 3.38 -1.98 1.46 115.31 113.19 1dt7 h LEU 3 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1dt7 h LEU 3 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dt7 h LEU 3 CO 0.00 0.00 -0.41 -0.08 0.09 0.00 0.00 178.44 178.04 1dt7 h GLU 4 N 0.00 0.92 0.08 1.13 4.81 -1.96 -1.80 114.58 117.75 1dt7 h GLU 4 Ca 0.12 -0.50 -0.11 0.00 -0.13 0.00 0.00 59.36 58.73 1dt7 h GLU 4 Cb 1.89 0.03 0.01 0.00 0.63 0.00 0.00 28.75 31.31 1dt7 h GLU 4 CO -0.00 1.16 -0.49 -0.22 -0.73 0.00 0.00 179.01 178.72 1dt7 h LYS 5 N 0.74 0.20 -0.10 1.92 3.64 0.17 -3.16 116.57 119.97 1dt7 h LYS 5 Ca 0.05 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1dt7 h LYS 5 Cb 1.01 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1dt7 h LYS 5 CO 0.10 1.13 0.02 0.00 -2.27 0.00 0.00 179.45 178.43 1dt7 h ALA 6 N 0.09 0.14 -1.00 5.00 0.00 -1.41 -2.06 119.26 120.02 1dt7 h ALA 6 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1dt7 h ALA 6 Cb 1.36 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1dt7 h ALA 6 CO 0.09 -0.22 0.66 0.52 0.00 0.00 0.00 179.25 180.31 1dt7 h MET 7 N -0.06 1.33 -0.66 0.00 2.86 -1.48 -1.79 114.93 115.13 1dt7 h MET 7 Ca 0.03 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1dt7 h MET 7 Cb 0.28 -0.30 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1dt7 h MET 7 CO 0.00 0.88 0.17 0.28 1.06 0.00 0.00 176.91 179.30 1dt7 h VAL 8 N 1.36 1.25 -0.22 -2.22 2.07 -1.49 -2.91 116.25 114.09 1dt7 h VAL 8 Ca 0.37 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 1dt7 h VAL 8 Cb -0.15 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1dt7 h VAL 8 CO -0.08 0.35 -0.32 0.00 0.02 0.00 0.00 177.57 177.54 1dt7 h ALA 9 N 1.19 1.03 -1.00 1.67 0.00 -0.61 -2.51 119.26 119.03 1dt7 h ALA 9 Ca 0.21 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dt7 h ALA 9 Cb 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1dt7 h ALA 9 CO -0.00 0.59 0.67 -0.07 0.00 0.00 0.00 179.25 180.44 1dt7 h LEU 10 N 0.40 1.15 -0.52 0.00 3.38 -1.19 -2.05 115.31 116.48 1dt7 h LEU 10 Ca 0.05 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1dt7 h LEU 10 Cb 0.77 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1dt7 h LEU 10 CO 0.06 0.83 -0.15 0.40 0.09 0.00 0.00 178.44 179.67 1dt7 h ILE 11 N 1.36 1.27 -0.60 1.22 2.04 -1.48 -2.76 117.51 118.56 1dt7 h ILE 11 Ca 0.37 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1dt7 h ILE 11 Cb -0.15 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1dt7 h ILE 11 CO -0.08 0.46 0.32 -0.78 0.00 0.00 0.00 178.15 178.07 1dt7 h ASP 12 N 0.89 0.75 0.28 1.72 1.82 -0.95 -2.88 116.42 118.05 1dt7 h ASP 12 Ca 0.13 -0.10 -0.15 0.00 -0.39 0.00 0.00 57.03 56.52 1dt7 h ASP 12 Cb 0.73 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 1dt7 h ASP 12 CO 0.06 0.64 -0.58 0.58 -1.61 0.00 0.00 179.24 178.32 1dt7 h VAL 13 N 0.81 1.37 -1.01 2.25 2.07 -1.46 -2.54 116.25 117.74 1dt7 h VAL 13 Ca 0.21 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 65.83 1dt7 h VAL 13 Cb 0.06 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1dt7 h VAL 13 CO -0.03 0.57 0.67 0.15 0.02 0.00 0.00 177.57 178.95 1dt7 h PHE 14 N 0.23 1.26 0.00 1.57 3.57 -1.28 -1.09 116.94 121.20 1dt7 h PHE 14 Ca -0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1dt7 h PHE 14 Cb 1.09 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1dt7 h PHE 14 CO 0.03 0.79 -0.18 1.25 -2.23 0.00 0.00 178.31 177.96 1dt7 h HIS 15 N 1.36 0.00 -0.68 0.41 2.76 -1.40 -1.56 115.15 116.04 1dt7 h HIS 15 Ca 0.37 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.63 1dt7 h HIS 15 Cb -0.14 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.75 1dt7 h HIS 15 CO -0.00 0.18 0.32 0.37 -1.30 0.00 0.00 177.93 177.50 1dt7 h GLN 16 N 0.00 0.54 0.00 5.26 5.75 -0.76 -3.18 115.11 122.72 1dt7 h GLN 16 Ca -0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1dt7 h GLN 16 Cb 0.98 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.40 1dt7 h GLN 16 CO 0.02 0.36 -1.10 2.48 -2.65 0.00 0.00 178.83 177.94 1dt7 n TYR 17 N -4.89 0.00 -0.37 3.99 4.11 -1.23 -4.61 117.16 114.16 1dt7 n TYR 17 Ca 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.98 1dt7 n TYR 17 Cb 0.27 -0.06 0.11 0.00 -0.00 0.00 0.00 39.34 39.65 1dt7 n TYR 17 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 1dt7 h SER 18 N 0.00 1.14 0.00 9.48 0.02 -1.38 0.59 113.55 123.40 1dt7 h SER 18 Ca -0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1dt7 h SER 18 Cb 0.54 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1dt7 h SER 18 CO 0.00 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 1dt7 n GLY 19 N -1.36 -0.90 0.28 -3.77 0.00 -1.20 -3.54 105.19 94.71 1dt7 n GLY 19 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 0.95 -6.10 1.61 2.43 -1.12 -3.43 114.38 108.72 1dt7 h ARG 20 Ca 0.00 -0.06 -0.57 0.00 -0.81 0.00 0.00 59.98 58.55 1dt7 h ARG 20 Cb 0.00 -0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 29.24 1dt7 h ARG 20 CO 0.00 0.63 -0.61 -1.21 -1.51 0.00 0.00 179.97 177.27 1dt7 s GLU 21 N -6.14 2.20 0.61 0.20 2.02 -1.23 -4.96 118.70 111.40 1dt7 s GLU 21 Ca -0.13 -1.59 0.03 0.00 0.02 0.00 0.00 54.97 53.29 1dt7 s GLU 21 Cb 0.15 -2.06 0.16 0.00 0.10 0.00 0.00 34.13 32.48 1dt7 s GLU 21 CO 0.77 0.21 1.05 0.78 0.02 0.00 0.00 175.26 178.10 1dt7 h GLY 22 N 1.79 0.00 -7.45 -1.39 0.00 -1.87 -3.31 103.07 90.84 1dt7 h GLY 22 Ca -0.43 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.32 1dt7 h GLY 22 CO 0.64 0.00 1.66 0.99 0.00 0.00 0.00 176.54 179.83 1dt7 s ASP 23 N -3.06 6.35 -0.19 0.19 1.01 -1.26 -4.68 116.67 115.03 1dt7 s ASP 23 Ca -0.00 -1.79 -0.07 0.00 0.71 0.00 0.00 52.55 51.40 1dt7 s ASP 23 Cb 0.01 -2.57 -0.21 0.00 1.01 0.00 0.00 42.92 41.16 1dt7 s ASP 23 CO 0.03 -1.66 0.08 0.29 0.21 0.00 0.00 175.17 174.12 1dt7 n LYS 24 N 8.63 0.68 -0.00 8.23 5.02 -1.25 -4.22 118.16 135.25 1dt7 n LYS 24 Ca 0.41 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 57.11 1dt7 n LYS 24 Cb 0.48 -1.63 0.40 0.00 -0.02 0.00 0.00 35.03 34.26 1dt7 n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1dt7 n HIS 25 N -3.63 0.01 -4.06 2.13 8.25 -1.26 -4.76 115.22 111.90 1dt7 n HIS 25 Ca -0.39 -0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 56.99 1dt7 n HIS 25 Cb 0.96 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.97 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 -1.99 0.52 -0.18 -0.41 -2.85 -1.26 -4.16 119.74 109.41 1dt7 s LYS 26 Ca 0.35 -1.04 0.01 0.00 -1.00 0.00 0.00 55.97 54.29 1dt7 s LYS 26 Cb 0.21 0.18 0.03 0.00 -2.06 0.00 0.00 37.83 36.18 1dt7 s LYS 26 CO 0.32 -0.09 -0.14 -1.17 0.10 0.00 0.00 175.35 174.37 1dt7 s LEU 27 N -2.49 2.10 0.23 2.77 2.96 -0.76 -4.71 118.68 118.79 1dt7 s LEU 27 Ca 0.00 -0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 53.10 1dt7 s LEU 27 Cb 0.03 -1.30 -0.07 0.00 0.50 0.00 0.00 46.19 45.34 1dt7 s LEU 27 CO -0.07 -0.08 0.56 -0.54 -1.32 0.00 0.00 176.35 174.90 1dt7 s LYS 28 N 1.38 3.82 0.64 1.98 1.02 -1.26 -0.99 119.74 126.34 1dt7 s LYS 28 Ca 0.02 0.31 0.16 0.00 0.02 0.00 0.00 55.97 56.48 1dt7 s LYS 28 Cb -0.14 -2.64 0.73 0.00 -0.52 0.00 0.00 37.83 35.25 1dt7 s LYS 28 CO -0.10 0.31 1.37 1.57 -0.92 0.00 0.00 175.35 177.58 1dt7 h LYS 29 N 2.56 0.00 -0.02 1.68 2.10 -1.96 0.55 116.57 121.49 1dt7 h LYS 29 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 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 0.69 0.00 -0.02 0.66 -2.00 0.00 0.00 179.45 178.77 1dt7 h SER 30 N 0.00 0.05 0.12 7.07 4.64 -1.90 -2.02 113.55 121.51 1dt7 h SER 30 Ca 0.13 -0.53 -0.11 0.00 -0.47 0.00 0.00 61.79 60.81 1dt7 h SER 30 Cb 1.81 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.87 1dt7 h SER 30 CO -0.00 0.57 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.82 1dt7 h GLU 31 N -0.47 0.35 -0.91 4.77 5.08 -0.29 -2.55 114.58 120.56 1dt7 h GLU 31 Ca 0.00 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1dt7 h GLU 31 Cb 0.56 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1dt7 h GLU 31 CO 0.01 0.67 0.60 1.25 -1.00 0.00 0.00 179.01 180.54 1dt7 h LEU 32 N 0.29 1.05 -0.86 1.33 5.85 -1.29 -1.51 115.31 120.17 1dt7 h LEU 32 Ca 0.03 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1dt7 h LEU 32 Cb 0.79 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1dt7 h LEU 32 CO 0.06 0.76 0.41 0.50 -0.34 0.00 0.00 178.44 179.83 1dt7 h LYS 33 N 1.23 1.23 -0.97 1.25 1.63 -0.96 -2.02 116.57 117.96 1dt7 h LYS 33 Ca 0.33 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1dt7 h LYS 33 Cb -0.14 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 31.22 1dt7 h LYS 33 CO -0.07 0.95 0.61 0.93 -3.45 0.00 0.00 179.45 178.41 1dt7 h GLU 34 N 1.22 1.31 -0.21 1.90 4.39 -0.99 0.31 114.58 122.51 1dt7 h GLU 34 Ca 0.29 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 1dt7 h GLU 34 Cb 0.12 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1dt7 h GLU 34 CO -0.04 0.90 -0.23 1.25 -1.16 0.00 0.00 179.01 179.73 1dt7 h LEU 35 N 1.33 0.57 -0.33 1.33 6.46 -1.08 -1.05 115.31 122.54 1dt7 h LEU 35 Ca 0.35 -0.49 -0.14 0.00 -0.12 0.00 0.00 57.88 57.48 1dt7 h LEU 35 Cb -0.09 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.67 1dt7 h LEU 35 CO -0.07 0.94 -0.36 0.40 -0.62 0.00 0.00 178.44 178.73 1dt7 h ILE 36 N 0.21 1.29 0.06 4.05 2.04 -0.96 0.59 117.51 124.78 1dt7 h ILE 36 Ca 0.03 -1.54 -0.27 0.00 1.00 0.00 0.00 64.86 64.08 1dt7 h ILE 36 Cb 0.79 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1dt7 h ILE 36 CO 0.06 0.50 -1.40 -1.13 0.00 0.00 0.00 178.15 176.18 1dt7 h ASN 37 N 0.60 0.20 0.00 1.72 -0.73 -0.45 -3.30 115.58 113.62 1dt7 h ASN 37 Ca 0.05 -0.27 -0.36 0.00 1.87 0.00 0.00 56.30 57.58 1dt7 h ASN 37 Cb 0.95 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 39.41 1dt7 h ASN 37 CO 0.09 1.22 -2.38 -3.20 -0.37 0.00 0.00 177.43 172.79 1dt7 n ASN 38 N -3.34 1.48 0.11 1.15 4.05 -0.41 -4.51 115.26 113.79 1dt7 n ASN 38 Ca -0.11 -0.09 0.12 0.00 0.45 0.00 0.00 54.58 54.95 1dt7 n ASN 38 Cb 1.01 0.06 0.13 0.00 1.23 0.00 0.00 39.78 42.21 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1dt7 h GLU 39 N 0.00 0.00 -2.21 1.20 4.81 -0.84 -3.36 114.58 114.19 1dt7 h GLU 39 Ca -0.54 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.02 1dt7 h GLU 39 Cb 1.96 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.98 1dt7 h GLU 39 CO -0.05 0.00 -0.06 1.28 -0.73 0.00 0.00 179.01 179.45 1dt7 n LEU 40 N -2.53 5.52 -0.38 1.64 4.77 -0.98 -4.84 117.00 120.21 1dt7 n LEU 40 Ca 0.02 -5.53 -0.02 0.00 -0.03 0.00 0.00 56.01 50.45 1dt7 n LEU 40 Cb 0.50 -0.76 0.11 0.00 -2.33 0.00 0.00 43.42 40.93 1dt7 n LEU 40 CO 0.37 2.23 1.30 0.28 -1.33 0.00 0.00 177.39 180.24 1dt7 h SER 41 N 3.33 1.15 0.00 -1.43 0.02 -1.79 -3.37 113.55 111.46 1dt7 h SER 41 Ca 0.29 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1dt7 h SER 41 Cb 0.46 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1dt7 h SER 41 CO 0.96 0.83 0.00 1.57 -1.14 0.00 0.00 176.83 179.05 1dt7 n HIS 42 N -4.39 0.00 0.16 3.45 -0.00 -1.26 -4.75 115.22 108.43 1dt7 n HIS 42 Ca 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.84 1dt7 n HIS 42 Cb 0.01 0.00 0.26 0.00 -0.00 0.00 0.00 29.99 30.26 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 0.00 -4.30 1.57 3.57 -1.89 -3.45 116.94 112.44 1dt7 h PHE 43 Ca 0.00 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1dt7 h PHE 43 Cb 0.00 -0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.60 1dt7 h PHE 43 CO 0.00 0.50 -0.57 -1.17 -2.23 0.00 0.00 178.31 174.84 1dt7 s LEU 44 N -7.91 1.57 -0.07 0.59 2.96 -1.26 -5.09 118.68 109.48 1dt7 s LEU 44 Ca -0.02 -1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 52.46 1dt7 s LEU 44 Cb 0.14 0.51 -0.06 0.00 0.50 0.00 0.00 46.19 47.28 1dt7 s LEU 44 CO 0.74 -0.77 1.71 -1.83 -1.32 0.00 0.00 176.35 174.89 1dt7 s GLU 45 N -4.03 4.09 0.65 1.98 1.03 -1.26 -4.72 118.70 116.44 1dt7 s GLU 45 Ca 0.23 2.18 -0.16 0.00 0.03 0.00 0.00 54.97 57.24 1dt7 s GLU 45 Cb 0.06 -4.03 -0.00 0.00 -0.80 0.00 0.00 34.13 29.36 1dt7 s GLU 45 CO 0.01 -0.96 1.16 -1.21 -1.33 0.00 0.00 175.26 172.93 1dt7 s GLU 46 N 4.26 2.72 -0.19 -4.83 2.02 -1.26 -4.98 118.70 116.45 1dt7 s GLU 46 Ca 0.76 1.61 -0.08 0.00 0.02 0.00 0.00 54.97 57.28 1dt7 s GLU 46 Cb -0.34 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 1dt7 s GLU 46 CO 0.31 -1.35 0.08 0.42 0.02 0.00 0.00 175.26 174.75 1dt7 s ILE 47 N -2.01 4.97 -0.02 -1.63 1.01 -1.26 -4.97 121.20 117.28 1dt7 s ILE 47 Ca 0.72 0.03 0.14 0.00 0.00 0.00 0.00 60.65 61.54 1dt7 s ILE 47 Cb -0.25 -3.25 -0.22 0.00 0.01 0.00 0.00 42.46 38.74 1dt7 s ILE 47 CO 0.39 0.45 0.31 0.29 0.00 0.00 0.00 174.94 176.38 1dt7 n LYS 48 N 3.56 0.45 -5.27 2.79 4.76 -1.26 -4.73 118.16 118.45 1dt7 n LYS 48 Ca -0.16 -0.13 -0.31 0.00 -2.87 0.00 0.00 58.31 54.83 1dt7 n LYS 48 Cb 0.52 -1.34 -0.16 0.00 -1.84 0.00 0.00 35.03 32.21 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 -3.00 2.27 0.57 1.97 2.56 -1.26 -5.01 118.70 116.80 1dt7 s GLU 49 Ca -0.05 -0.91 0.33 0.00 0.00 0.00 0.00 54.97 54.34 1dt7 s GLU 49 Cb 0.09 -2.10 1.67 0.00 2.00 0.00 0.00 34.13 35.79 1dt7 s GLU 49 CO 0.60 0.51 2.12 1.96 -0.56 0.00 0.00 175.26 179.89 1dt7 h GLN 50 N 5.65 0.00 -0.82 4.30 1.08 -2.01 -2.83 115.11 120.49 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 1.14 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.53 1dt7 h GLN 50 CO 0.47 0.06 0.54 1.05 -0.95 0.00 0.00 178.83 180.00 1dt7 h GLU 51 N 0.00 1.07 -0.98 1.46 -0.00 -2.00 -0.81 114.58 113.33 1dt7 h GLU 51 Ca -0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1dt7 h GLU 51 Cb 0.30 -0.24 -0.05 0.00 -0.00 0.00 0.00 28.75 28.76 1dt7 h GLU 51 CO 0.01 0.71 0.64 0.28 -0.00 0.00 0.00 179.01 180.65 1dt7 h VAL 52 N 1.10 1.25 -0.42 -1.06 2.07 -1.94 -0.88 116.25 116.39 1dt7 h VAL 52 Ca 0.30 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1dt7 h VAL 52 Cb -0.13 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.44 1dt7 h VAL 52 CO -0.07 0.24 -0.01 0.58 0.02 0.00 0.00 177.57 178.34 1dt7 h VAL 53 N 1.32 1.23 -0.66 2.57 2.07 -1.31 -1.63 116.25 119.83 1dt7 h VAL 53 Ca 0.36 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1dt7 h VAL 53 Cb -0.15 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1dt7 h VAL 53 CO -0.08 0.32 0.16 0.44 0.02 0.00 0.00 177.57 178.43 1dt7 h ASP 54 N 0.63 0.99 -0.54 0.57 3.32 -0.33 0.11 116.42 121.18 1dt7 h ASP 54 Ca 0.13 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1dt7 h ASP 54 Cb 0.41 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1dt7 h ASP 54 CO 0.02 0.95 -0.12 0.50 -1.72 0.00 0.00 179.24 178.87 1dt7 h LYS 55 N 0.99 1.04 0.00 3.56 3.64 -0.99 -1.67 116.57 123.14 1dt7 h LYS 55 Ca 0.21 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1dt7 h LYS 55 Cb 0.35 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1dt7 h LYS 55 CO 0.00 1.08 -0.27 0.28 -2.27 0.00 0.00 179.45 178.28 1dt7 h VAL 56 N 0.92 1.09 -0.13 2.00 2.07 -0.78 -1.47 116.25 119.95 1dt7 h VAL 56 Ca 0.14 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 1dt7 h VAL 56 Cb 0.69 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1dt7 h VAL 56 CO 0.05 0.26 -0.38 0.24 0.02 0.00 0.00 177.57 177.77 1dt7 h MET 57 N 0.00 0.28 -1.01 1.57 2.86 0.13 0.16 114.93 118.92 1dt7 h MET 57 Ca -0.00 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1dt7 h MET 57 Cb 0.50 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1dt7 h MET 57 CO 0.03 0.62 0.66 1.49 1.06 0.00 0.00 176.91 180.77 1dt7 h GLU 58 N 0.24 1.21 0.03 1.72 4.81 -0.72 3.16 114.58 125.04 1dt7 h GLU 58 Ca 0.03 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1dt7 h GLU 58 Cb 0.78 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1dt7 h GLU 58 CO 0.06 0.80 -0.41 1.15 -0.73 0.00 0.00 179.01 179.88 1dt7 h THR 59 N 1.24 1.55 0.00 0.32 2.02 -1.37 -3.35 112.91 113.32 1dt7 h THR 59 Ca 0.41 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1dt7 h THR 59 Cb 0.06 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1dt7 h THR 59 CO -0.14 0.60 -0.72 -0.07 0.37 0.00 0.00 175.52 175.56 1dt7 h LEU 60 N -0.47 0.00 -5.07 2.58 3.38 -0.39 -3.37 115.31 111.96 1dt7 h LEU 60 Ca -0.06 -0.21 -0.66 0.00 0.09 0.00 0.00 57.88 57.04 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 0.08 0.10 3.41 -0.67 0.09 0.00 0.00 178.44 181.46 1dt7 n ASP 61 N -2.17 8.50 -0.20 -0.43 -0.08 1.05 -4.55 116.55 118.66 1dt7 n ASP 61 Ca 0.03 -2.67 0.03 0.00 -1.51 0.00 0.00 54.79 50.66 1dt7 n ASP 61 Cb 0.45 -1.52 0.28 0.00 2.34 0.00 0.00 41.12 42.68 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 4.83 0.90 0.00 -0.67 5.08 -1.79 0.37 114.58 123.30 1dt7 h GLU 62 Ca 0.82 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1dt7 h GLU 62 Cb 0.34 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1dt7 h GLU 62 CO 1.66 0.60 0.00 -0.25 -1.00 0.00 0.00 179.01 180.02 1dt7 n ASP 63 N -4.45 0.00 -2.35 1.42 8.00 -1.26 -4.87 116.55 113.04 1dt7 n ASP 63 Ca 0.09 0.50 -0.21 0.00 0.71 0.00 0.00 54.79 55.88 1dt7 n ASP 63 Cb 0.10 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.68 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 1.05 -0.46 0.84 0.44 0.00 0.13 -4.85 105.19 102.34 1dt7 n GLY 64 Ca 0.06 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.95 3.14 -0.64 1.61 5.75 -1.26 -4.93 116.55 118.28 1dt7 n ASP 65 Ca -0.25 -1.95 -0.08 0.00 -0.01 0.00 0.00 54.79 52.50 1dt7 n ASP 65 Cb 0.69 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.89 1.01 3.21 6.12 0.00 -1.26 -4.97 105.19 110.19 1dt7 n GLY 66 Ca 0.15 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.59 0.32 -0.19 1.61 2.12 -1.26 -3.64 118.70 115.07 1dt7 s GLU 67 Ca 0.00 0.82 -0.11 0.00 0.36 0.00 0.00 54.97 56.04 1dt7 s GLU 67 Cb 0.00 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.40 1dt7 s GLU 67 CO 0.00 -0.20 0.18 0.00 -0.54 0.00 0.00 175.26 174.69 1dt7 s ASP 69 N 0.35 4.69 0.33 0.00 1.01 -1.26 -1.82 116.67 119.97 1dt7 s ASP 69 Ca 0.11 1.79 0.12 0.00 0.71 0.00 0.00 52.55 55.28 1dt7 s ASP 69 Cb -0.12 -2.52 1.00 0.00 1.01 0.00 0.00 42.92 42.30 1dt7 s ASP 69 CO -0.00 -1.91 1.69 0.15 0.21 0.00 0.00 175.17 175.31 1dt7 h PHE 70 N -1.03 0.96 -0.51 4.23 3.57 -1.91 0.42 116.94 122.68 1dt7 h PHE 70 Ca -0.44 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 60.97 1dt7 h PHE 70 Cb 1.23 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1dt7 h PHE 70 CO 0.59 -0.06 -0.19 -0.56 -2.23 0.00 0.00 178.31 175.86 1dt7 h GLN 71 N 0.44 1.02 -0.64 1.11 3.07 -1.93 -2.00 115.11 116.17 1dt7 h GLN 71 Ca 0.69 -0.42 -0.03 0.00 0.09 0.00 0.00 58.65 58.98 1dt7 h GLN 71 Cb 1.48 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.97 1dt7 h GLN 71 CO -0.54 1.10 0.27 0.93 0.09 0.00 0.00 178.83 180.68 1dt7 h GLU 72 N 0.89 0.95 -0.37 0.06 5.08 -0.52 -2.32 114.58 118.35 1dt7 h GLU 72 Ca 0.12 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1dt7 h GLU 72 Cb 0.77 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1dt7 h GLU 72 CO 0.06 0.80 -0.15 0.35 -1.00 0.00 0.00 179.01 179.07 1dt7 h PHE 73 N 0.90 0.75 -0.90 4.33 3.57 -1.24 -2.86 116.94 121.49 1dt7 h PHE 73 Ca 0.22 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1dt7 h PHE 73 Cb 0.19 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1dt7 h PHE 73 CO 0.01 0.79 0.60 0.52 -2.23 0.00 0.00 178.31 178.00 1dt7 h MET 74 N 0.61 1.19 -0.03 1.11 2.86 -0.83 -2.34 114.93 117.50 1dt7 h MET 74 Ca 0.10 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1dt7 h MET 74 Cb 0.60 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1dt7 h MET 74 CO 0.04 0.79 -0.38 0.00 1.06 0.00 0.00 176.91 178.42 1dt7 h ALA 75 N 1.44 1.32 0.00 6.32 0.00 -1.22 -2.40 119.26 124.72 1dt7 h ALA 75 Ca 0.33 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dt7 h ALA 75 Cb -0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1dt7 h ALA 75 CO -0.07 0.50 -0.01 0.35 0.00 0.00 0.00 179.25 180.01 1dt7 h PHE 76 N 0.05 0.00 -0.04 0.00 3.57 -1.42 -2.69 116.94 116.41 1dt7 h PHE 76 Ca 0.00 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 1dt7 h PHE 76 Cb 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1dt7 h PHE 76 CO 0.00 0.01 -0.88 0.28 -2.23 0.00 0.00 178.31 175.49 1dt7 h VAL 77 N 0.00 1.36 -0.42 1.41 2.07 -1.38 -2.69 116.25 116.60 1dt7 h VAL 77 Ca -0.00 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 1dt7 h VAL 77 Cb 0.51 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1dt7 h VAL 77 CO 0.00 0.69 0.20 0.28 0.02 0.00 0.00 177.57 178.77 1dt7 h SER 78 N 0.30 0.55 -0.33 0.57 0.02 -1.46 -2.41 113.55 110.78 1dt7 h SER 78 Ca -0.07 -0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.58 1dt7 h SER 78 Cb 1.51 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1dt7 h SER 78 CO 0.16 0.52 -0.48 0.00 -1.14 0.00 0.00 176.83 175.89 1dt7 h MET 79 N 0.53 0.92 -1.01 3.45 -0.00 -1.59 -3.01 114.93 114.22 1dt7 h MET 79 Ca 0.14 -0.54 0.01 0.00 -0.00 0.00 0.00 59.70 59.32 1dt7 h MET 79 Cb 0.12 0.05 -0.05 0.00 -0.00 0.00 0.00 31.60 31.71 1dt7 h MET 79 CO -0.02 1.18 0.67 0.28 -0.00 0.00 0.00 176.91 179.02 1dt7 h VAL 80 N 0.72 1.26 -0.99 -0.10 2.07 -1.39 -1.43 116.25 116.39 1dt7 h VAL 80 Ca 0.04 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1dt7 h VAL 80 Cb 1.08 -0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1dt7 h VAL 80 CO 0.11 0.25 0.66 0.74 0.02 0.00 0.00 177.57 179.35 1dt7 h THR 81 N 1.37 1.25 -1.02 2.57 2.02 -1.37 -0.55 112.91 117.18 1dt7 h THR 81 Ca 0.37 -0.46 0.26 0.00 0.77 0.00 0.00 66.41 67.35 1dt7 h THR 81 Cb -0.16 -0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 65.97 1dt7 h THR 81 CO -0.08 0.24 0.68 0.74 0.37 0.00 0.00 175.52 177.47 1dt7 h THR 82 N 1.34 0.54 -0.52 3.16 2.02 -1.13 1.04 112.91 119.37 1dt7 h THR 82 Ca 0.36 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.35 1dt7 h THR 82 Cb -0.15 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1dt7 h THR 82 CO -0.08 0.05 -0.04 0.00 0.37 0.00 0.00 175.52 175.82 1dt7 h ALA 83 N 1.58 0.96 -0.42 6.16 0.00 -1.08 -2.33 119.26 124.12 1dt7 h ALA 83 Ca 0.54 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1dt7 h ALA 83 Cb 1.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1dt7 h ALA 83 CO -0.20 0.62 0.28 0.00 0.00 0.00 0.00 179.25 179.96 1dt7 h HIS 85 N 0.56 1.26 -1.00 0.00 6.17 -0.89 2.42 115.15 123.66 1dt7 h HIS 85 Ca 0.16 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.28 1dt7 h HIS 85 Cb -0.04 -0.43 -0.05 0.00 2.52 0.00 0.00 27.41 29.41 1dt7 h HIS 85 CO -0.00 0.79 0.66 1.49 0.71 0.00 0.00 177.93 181.58 1dt7 h GLU 86 N 1.35 1.32 0.00 5.26 4.81 -1.15 -2.35 114.58 123.84 1dt7 h GLU 86 Ca 0.37 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1dt7 h GLU 86 Cb -0.15 -0.30 -0.02 0.00 0.63 0.00 0.00 28.75 28.91 1dt7 h GLU 86 CO -0.08 0.88 -1.03 0.35 -0.73 0.00 0.00 179.01 178.40 1dt7 h PHE 87 N 1.36 0.00 -1.67 0.92 3.04 -0.88 -3.36 116.94 116.36 1dt7 h PHE 87 Ca 0.37 0.00 -0.77 0.00 3.98 0.00 0.00 57.97 61.55 1dt7 h PHE 87 Cb -0.15 0.00 -0.18 0.00 2.56 0.00 0.00 35.95 38.18 1dt7 h PHE 87 CO 0.00 0.52 1.83 0.34 -2.02 0.00 0.00 178.31 178.98 1dt7 n PHE 88 N -3.01 2.65 -1.61 0.41 -0.00 0.80 -4.97 117.46 111.73 1dt7 n PHE 88 Ca -0.04 -2.72 -0.44 0.00 -0.00 0.00 0.00 57.45 54.24 1dt7 n PHE 88 Cb 0.78 -1.64 -0.04 0.00 -0.00 0.00 0.00 39.48 38.59 1dt7 n PHE 88 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1dt7 n GLU 89 N 1.71 2.13 -0.38 -4.13 4.71 -1.23 -4.80 120.64 118.65 1dt7 n GLU 89 Ca 0.50 0.68 -0.02 0.00 -0.01 0.00 0.00 57.16 58.31 1dt7 n GLU 89 Cb 0.28 -3.02 0.11 0.00 -1.01 0.00 0.00 31.44 27.80 1dt7 n GLU 89 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1dt7 h HIS 90 N 12.90 1.27 0.00 -0.32 -0.00 -1.93 -3.53 115.15 123.54 1dt7 h HIS 90 Ca -0.43 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 1dt7 h HIS 90 Cb 1.25 -0.43 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1dt7 h HIS 90 CO 0.94 0.80 0.00 0.39 -0.00 0.00 0.00 177.93 180.06