#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 -2.39 0.00 7.83 3.41 -1.26 -4.67 113.62 116.53 1dt7 n SER 1 Ca 0.00 0.14 0.09 0.00 -0.26 0.00 0.00 58.87 58.85 1dt7 n SER 1 Cb 0.00 -2.14 0.41 0.00 -0.26 0.00 0.00 64.21 62.22 1dt7 n SER 1 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dt7 n GLU 2 N -0.89 0.00 0.11 4.33 1.02 -1.26 -3.59 120.64 120.37 1dt7 n GLU 2 Ca -0.06 0.17 0.14 0.00 -0.02 0.00 0.00 57.16 57.39 1dt7 n GLU 2 Cb 0.26 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.59 -4.62 5.85 -2.01 0.67 115.31 114.61 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 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1dt7 h LEU 3 CO 0.00 0.00 -0.44 1.05 -0.34 0.00 0.00 178.44 178.71 1dt7 h GLU 4 N 0.00 0.62 -0.01 1.25 4.11 -1.96 -2.42 114.58 116.17 1dt7 h GLU 4 Ca 0.20 -0.33 -0.18 0.00 0.07 0.00 0.00 59.36 59.12 1dt7 h GLU 4 Cb 2.07 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.32 1dt7 h GLU 4 CO -0.00 0.94 -0.79 1.57 0.07 0.00 0.00 179.01 180.79 1dt7 h LYS 5 N 0.50 0.12 -0.34 1.06 2.10 0.05 -3.12 116.57 116.94 1dt7 h LYS 5 Ca 0.04 -0.12 -0.14 0.00 -2.00 0.00 0.00 60.65 58.42 1dt7 h LYS 5 Cb 0.96 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1dt7 h LYS 5 CO 0.09 0.85 -0.35 0.00 -2.00 0.00 0.00 179.45 178.04 1dt7 h ALA 6 N 1.11 0.50 -0.82 0.07 0.00 -1.44 -2.07 119.26 116.60 1dt7 h ALA 6 Ca -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1dt7 h ALA 6 Cb 1.39 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1dt7 h ALA 6 CO 0.11 0.57 0.39 0.52 0.00 0.00 0.00 179.25 180.85 1dt7 h MET 7 N 0.62 1.19 -0.44 0.00 2.86 -1.46 -2.26 114.93 115.43 1dt7 h MET 7 Ca 0.05 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1dt7 h MET 7 Cb 0.94 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1dt7 h MET 7 CO 0.09 0.92 -0.16 0.28 1.06 0.00 0.00 176.91 179.10 1dt7 h VAL 8 N 1.17 1.27 -0.70 -2.22 2.07 -1.48 -3.05 116.25 113.30 1dt7 h VAL 8 Ca 0.28 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 1dt7 h VAL 8 Cb 0.12 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1dt7 h VAL 8 CO -0.03 0.43 0.21 0.00 0.02 0.00 0.00 177.57 178.19 1dt7 h ALA 9 N 1.07 1.03 -1.01 1.67 0.00 -0.83 -2.25 119.26 118.95 1dt7 h ALA 9 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dt7 h ALA 9 Cb 0.67 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1dt7 h ALA 9 CO 0.05 0.65 0.67 -0.07 0.00 0.00 0.00 179.25 180.54 1dt7 h LEU 10 N 1.05 1.15 -0.51 0.00 4.07 -1.32 -2.21 115.31 117.55 1dt7 h LEU 10 Ca 0.23 -0.03 -0.13 0.00 0.08 0.00 0.00 57.88 58.03 1dt7 h LEU 10 Cb 0.31 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1dt7 h LEU 10 CO -0.01 0.83 -0.23 0.40 -1.08 0.00 0.00 178.44 178.36 1dt7 h ILE 11 N 1.36 1.27 -0.76 1.22 2.04 -1.47 -2.44 117.51 118.72 1dt7 h ILE 11 Ca 0.37 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 1dt7 h ILE 11 Cb -0.15 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1dt7 h ILE 11 CO -0.08 0.48 0.28 0.44 0.00 0.00 0.00 178.15 179.26 1dt7 h ASP 12 N 0.84 1.08 -0.08 1.72 3.32 -0.83 -2.63 116.42 119.84 1dt7 h ASP 12 Ca 0.11 -0.19 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 1dt7 h ASP 12 Cb 0.80 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.08 1dt7 h ASP 12 CO 0.07 0.97 -0.78 1.62 -1.72 0.00 0.00 179.24 179.41 1dt7 h VAL 13 N 1.11 1.29 -1.00 -1.35 3.04 -1.44 -3.13 116.25 114.77 1dt7 h VAL 13 Ca 0.25 -2.00 0.02 0.00 -1.01 0.00 0.00 66.70 63.95 1dt7 h VAL 13 Cb 0.26 2.01 -0.05 0.00 -2.01 0.00 0.00 31.29 31.49 1dt7 h VAL 13 CO -0.02 0.63 0.66 0.15 -1.01 0.00 0.00 177.57 177.99 1dt7 h PHE 14 N 0.50 1.26 0.00 3.17 3.57 -1.32 0.15 116.94 124.27 1dt7 h PHE 14 Ca -0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1dt7 h PHE 14 Cb 1.40 -0.42 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1dt7 h PHE 14 CO 0.08 0.77 -0.10 1.25 -2.23 0.00 0.00 178.31 178.09 1dt7 h HIS 15 N 1.34 0.00 -0.82 0.41 2.76 -1.45 -1.55 115.15 115.83 1dt7 h HIS 15 Ca 0.38 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.56 1dt7 h HIS 15 Cb -0.11 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 1dt7 h HIS 15 CO -0.00 0.10 0.55 0.37 -1.30 0.00 0.00 177.93 177.64 1dt7 h GLN 16 N 0.00 1.08 0.00 5.26 -0.00 -0.64 -3.14 115.11 117.67 1dt7 h GLN 16 Ca -0.00 -0.07 -0.16 0.00 -0.00 0.00 0.00 58.65 58.42 1dt7 h GLN 16 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 27.48 27.48 1dt7 h GLN 16 CO 0.01 0.72 -2.10 0.66 0.00 0.00 0.00 178.83 178.12 1dt7 n TYR 17 N -4.51 0.08 -0.38 3.99 4.02 -1.02 -4.29 117.16 115.05 1dt7 n TYR 17 Ca 0.08 0.03 -0.02 0.00 -0.01 0.00 0.00 57.90 57.98 1dt7 n TYR 17 Cb 0.01 -0.76 0.11 0.00 -0.02 0.00 0.00 39.34 38.69 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 1.15 0.63 7.72 4.64 -1.30 0.29 113.55 126.69 1dt7 h SER 18 Ca -0.24 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1dt7 h SER 18 Cb 1.56 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1dt7 h SER 18 CO 0.02 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1dt7 n GLY 19 N -1.38 -1.20 0.11 -0.77 0.00 -1.19 -3.44 105.19 97.32 1dt7 n GLY 19 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.29 -6.39 1.61 2.43 -1.11 -3.43 114.38 107.78 1dt7 h ARG 20 Ca 0.00 -0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.54 1dt7 h ARG 20 Cb 0.32 -0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.67 1dt7 h ARG 20 CO 0.00 0.19 -0.72 -2.00 -1.51 0.00 0.00 179.97 175.93 1dt7 s GLU 21 N -6.17 2.03 0.66 0.20 2.12 -1.22 -4.98 118.70 111.32 1dt7 s GLU 21 Ca -0.13 -1.37 0.17 0.00 0.36 0.00 0.00 54.97 54.00 1dt7 s GLU 21 Cb 0.09 -2.10 0.91 0.00 0.26 0.00 0.00 34.13 33.29 1dt7 s GLU 21 CO 0.69 0.41 1.50 0.78 -0.54 0.00 0.00 175.26 178.10 1dt7 h GLY 22 N 2.66 0.00 -5.49 -1.50 0.00 -1.84 -3.15 103.07 93.76 1dt7 h GLY 22 Ca -0.46 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.34 1dt7 h GLY 22 CO 0.55 0.00 3.03 1.22 0.00 0.00 0.00 176.54 181.34 1dt7 n ASP 23 N -2.80 5.75 -0.35 0.19 8.00 -1.26 -4.56 116.55 121.51 1dt7 n ASP 23 Ca 0.01 -2.50 -0.03 0.00 0.71 0.00 0.00 54.79 52.98 1dt7 n ASP 23 Cb 0.72 -1.30 0.10 0.00 -0.02 0.00 0.00 41.12 40.62 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 6.06 1.28 0.00 -1.24 1.57 -1.57 -2.45 116.57 120.22 1dt7 h LYS 24 Ca 0.62 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1dt7 h LYS 24 Cb 0.31 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1dt7 h LYS 24 CO 1.67 0.91 -0.02 0.45 -0.57 0.00 0.00 179.45 181.89 1dt7 h HIS 25 N 1.30 0.00 -3.69 -1.35 3.86 -1.87 -3.45 115.15 109.96 1dt7 h HIS 25 Ca 0.33 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.47 1dt7 h HIS 25 Cb -0.03 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.31 1dt7 h HIS 25 CO 0.01 0.02 -0.25 -1.59 0.86 0.00 0.00 177.93 176.97 1dt7 s LYS 26 N -3.34 1.02 -0.06 2.45 -2.85 -0.92 -4.22 119.74 111.82 1dt7 s LYS 26 Ca 0.05 -0.95 -0.00 0.00 -1.00 0.00 0.00 55.97 54.07 1dt7 s LYS 26 Cb 0.06 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 1dt7 s LYS 26 CO 0.64 -0.37 -0.01 -0.51 0.10 0.00 0.00 175.35 175.19 1dt7 s LEU 27 N -2.88 3.47 0.12 2.77 1.43 -0.78 -4.54 118.68 118.28 1dt7 s LEU 27 Ca 0.08 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.30 1dt7 s LEU 27 Cb 0.03 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1dt7 s LEU 27 CO -0.08 0.35 0.06 -0.54 0.23 0.00 0.00 176.35 176.38 1dt7 s LYS 28 N -1.04 2.72 0.58 1.70 1.02 -1.26 -1.24 119.74 122.22 1dt7 s LYS 28 Ca 0.15 -0.86 0.38 0.00 0.02 0.00 0.00 55.97 55.66 1dt7 s LYS 28 Cb -0.11 -2.59 1.34 0.00 -0.52 0.00 0.00 37.83 35.95 1dt7 s LYS 28 CO 0.04 0.51 1.47 -0.22 -0.92 0.00 0.00 175.35 176.24 1dt7 h LYS 29 N 2.95 0.00 0.02 1.68 3.64 -1.92 1.08 116.57 124.03 1dt7 h LYS 29 Ca -0.47 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1dt7 h LYS 29 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1dt7 h LYS 29 CO 0.62 0.00 -0.15 0.77 -2.27 0.00 0.00 179.45 178.42 1dt7 h SER 30 N 0.00 0.09 0.19 4.20 0.02 -1.92 -2.80 113.55 113.33 1dt7 h SER 30 Ca 0.69 -0.96 -0.13 0.00 -0.84 0.00 0.00 61.79 60.55 1dt7 h SER 30 Cb 3.22 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 65.72 1dt7 h SER 30 CO -0.01 1.05 -0.47 -0.08 -1.14 0.00 0.00 176.83 176.18 1dt7 h GLU 31 N -0.85 0.33 -0.86 3.45 4.81 0.11 -2.91 114.58 118.67 1dt7 h GLU 31 Ca -0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1dt7 h GLU 31 Cb 1.09 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1dt7 h GLU 31 CO 0.03 0.74 0.52 1.25 -0.73 0.00 0.00 179.01 180.81 1dt7 h LEU 32 N 0.27 1.03 -0.97 1.64 5.85 0.72 -2.32 115.31 121.53 1dt7 h LEU 32 Ca 0.02 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1dt7 h LEU 32 Cb 0.93 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1dt7 h LEU 32 CO 0.08 0.80 0.59 0.50 -0.34 0.00 0.00 178.44 180.06 1dt7 h LYS 33 N 1.18 1.29 -0.79 1.25 3.64 -1.29 -2.21 116.57 119.64 1dt7 h LYS 33 Ca 0.31 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1dt7 h LYS 33 Cb -0.04 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.47 1dt7 h LYS 33 CO -0.06 0.89 0.29 0.93 -2.27 0.00 0.00 179.45 179.24 1dt7 h GLU 34 N 1.31 1.19 -0.00 1.90 4.39 -1.37 0.55 114.58 122.56 1dt7 h GLU 34 Ca 0.34 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1dt7 h GLU 34 Cb -0.07 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.39 1dt7 h GLU 34 CO -0.07 0.98 0.00 1.25 -1.16 0.00 0.00 179.01 180.01 1dt7 h LEU 35 N 1.15 0.00 -0.19 1.33 6.46 -1.09 -1.54 115.31 121.44 1dt7 h LEU 35 Ca 0.26 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1dt7 h LEU 35 Cb 0.25 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1dt7 h LEU 35 CO -0.02 0.13 -0.29 0.40 -0.62 0.00 0.00 178.44 178.04 1dt7 h ILE 36 N -0.12 1.34 -0.47 4.05 2.04 -1.13 0.95 117.51 124.17 1dt7 h ILE 36 Ca 0.00 -1.51 -0.14 0.00 1.00 0.00 0.00 64.86 64.21 1dt7 h ILE 36 Cb 0.13 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1dt7 h ILE 36 CO -0.00 0.46 -0.25 0.78 0.00 0.00 0.00 178.15 179.14 1dt7 h ASN 37 N 0.19 1.03 0.04 1.72 -0.26 0.10 -3.02 115.58 115.38 1dt7 h ASN 37 Ca 0.02 -0.41 -0.38 0.00 -0.56 0.00 0.00 56.30 54.97 1dt7 h ASN 37 Cb 0.87 -0.28 -0.06 0.00 -1.06 0.00 0.00 38.32 37.78 1dt7 h ASN 37 CO 0.07 1.21 -2.36 0.59 -1.06 0.00 0.00 177.43 175.88 1dt7 n ASN 38 N -4.10 1.26 0.20 5.81 5.03 -0.58 -3.35 115.26 119.52 1dt7 n ASN 38 Ca -0.00 -0.03 0.06 0.00 0.87 0.00 0.00 54.58 55.47 1dt7 n ASN 38 Cb 0.48 0.05 0.39 0.00 -1.02 0.00 0.00 39.78 39.68 1dt7 n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1dt7 h GLU 39 N 0.01 0.00 -1.51 3.52 4.81 -0.86 -3.21 114.58 117.32 1dt7 h GLU 39 Ca -0.54 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.16 1dt7 h GLU 39 Cb 2.04 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 31.00 1dt7 h GLU 39 CO -0.02 0.35 -0.85 1.28 -0.73 0.00 0.00 179.01 179.03 1dt7 n LEU 40 N -3.68 3.74 -0.33 1.64 4.77 -1.14 -4.82 117.00 117.18 1dt7 n LEU 40 Ca -0.01 -4.92 -0.03 0.00 -0.03 0.00 0.00 56.01 51.02 1dt7 n LEU 40 Cb 0.45 -0.21 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1dt7 n LEU 40 CO 0.36 2.10 1.24 -1.28 -1.33 0.00 0.00 177.39 178.49 1dt7 h SER 41 N 2.74 1.01 0.00 -1.43 0.87 -1.56 -3.32 113.55 111.87 1dt7 h SER 41 Ca 0.18 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1dt7 h SER 41 Cb 0.93 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1dt7 h SER 41 CO 0.75 0.73 -0.47 1.41 -0.53 0.00 0.00 176.83 178.72 1dt7 n HIS 42 N -4.47 0.00 -0.22 2.24 8.25 -1.26 -4.36 115.22 115.40 1dt7 n HIS 42 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 1dt7 n HIS 42 Cb 0.01 0.00 0.07 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 1.12 -0.31 4.41 3.57 -1.88 -3.46 116.94 120.38 1dt7 h PHE 43 Ca 0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1dt7 h PHE 43 Cb 0.00 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1dt7 h PHE 43 CO 0.00 0.94 0.00 -0.11 -2.23 0.00 0.00 178.31 176.91 1dt7 n LEU 44 N -4.22 0.00 -4.48 0.59 7.94 -1.25 -5.08 117.00 110.50 1dt7 n LEU 44 Ca 0.04 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.51 1dt7 n LEU 44 Cb 0.28 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.17 1dt7 n LEU 44 CO 0.42 0.00 0.38 -0.70 -1.11 0.00 0.00 177.39 176.38 1dt7 s GLU 45 N 3.48 3.19 0.34 1.96 2.12 -1.26 -4.89 118.70 123.64 1dt7 s GLU 45 Ca 0.00 -0.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.39 1dt7 s GLU 45 Cb 0.00 -4.04 -0.10 0.00 0.26 0.00 0.00 34.13 30.25 1dt7 s GLU 45 CO 0.00 -1.16 1.32 -2.00 -0.54 0.00 0.00 175.26 172.88 1dt7 s GLU 46 N 2.81 4.33 -0.09 4.30 2.12 -1.25 -4.91 118.70 126.00 1dt7 s GLU 46 Ca 0.19 2.24 -0.17 0.00 0.36 0.00 0.00 54.97 57.59 1dt7 s GLU 46 Cb -0.17 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 1dt7 s GLU 46 CO 0.15 -0.21 0.45 0.42 -0.54 0.00 0.00 175.26 175.52 1dt7 s ILE 47 N -1.14 5.16 -0.10 -3.70 -1.09 -1.26 -4.95 121.20 114.11 1dt7 s ILE 47 Ca 0.49 0.90 0.15 0.00 -2.23 0.00 0.00 60.65 59.96 1dt7 s ILE 47 Cb -0.40 -3.78 -0.21 0.00 -1.58 0.00 0.00 42.46 36.48 1dt7 s ILE 47 CO 0.54 0.38 0.17 0.29 -1.23 0.00 0.00 174.94 175.09 1dt7 n LYS 48 N 3.27 1.12 -5.25 2.79 4.76 -1.26 -4.87 118.16 118.73 1dt7 n LYS 48 Ca -0.09 -0.06 -0.30 0.00 -2.87 0.00 0.00 58.31 54.99 1dt7 n LYS 48 Cb 0.52 -1.39 -0.16 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.67 2.02 0.59 1.97 2.02 -1.26 -5.00 118.70 116.37 1dt7 s GLU 49 Ca -0.07 -0.89 0.36 0.00 0.02 0.00 0.00 54.97 54.39 1dt7 s GLU 49 Cb 0.07 -1.95 1.77 0.00 0.10 0.00 0.00 34.13 34.12 1dt7 s GLU 49 CO 0.65 0.54 2.14 0.37 0.02 0.00 0.00 175.26 178.98 1dt7 h GLN 50 N 5.52 0.00 -0.96 1.61 -0.00 -2.01 -2.70 115.11 116.57 1dt7 h GLN 50 Ca -0.42 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.24 1dt7 h GLN 50 Cb 1.12 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.56 1dt7 h GLN 50 CO 0.47 0.03 0.63 1.05 0.00 0.00 0.00 178.83 181.01 1dt7 h GLU 51 N 0.00 1.26 -1.00 1.69 4.11 -2.00 -1.55 114.58 117.10 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 0.29 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1dt7 h GLU 51 CO 0.00 0.84 0.66 0.28 0.07 0.00 0.00 179.01 180.86 1dt7 h VAL 52 N 1.30 1.26 -0.94 -1.06 2.07 -1.91 -0.60 116.25 116.36 1dt7 h VAL 52 Ca 0.35 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1dt7 h VAL 52 Cb -0.14 -0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 29.37 1dt7 h VAL 52 CO -0.07 0.25 0.56 0.58 0.02 0.00 0.00 177.57 178.91 1dt7 h VAL 53 N 1.36 1.26 -0.99 2.57 2.07 -1.43 -1.59 116.25 119.49 1dt7 h VAL 53 Ca 0.37 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1dt7 h VAL 53 Cb -0.15 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.50 1dt7 h VAL 53 CO -0.08 0.27 0.64 -0.78 0.02 0.00 0.00 177.57 177.65 1dt7 h ASP 54 N 1.30 1.15 -0.56 0.57 1.82 -0.50 0.10 116.42 120.31 1dt7 h ASP 54 Ca 0.34 -0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.82 1dt7 h ASP 54 Cb -0.05 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 39.66 1dt7 h ASP 54 CO -0.06 0.85 -0.09 0.50 -1.61 0.00 0.00 179.24 178.82 1dt7 h LYS 55 N 1.35 1.05 0.00 0.28 3.64 -0.65 -1.73 116.57 120.51 1dt7 h LYS 55 Ca 0.36 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1dt7 h LYS 55 Cb -0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1dt7 h LYS 55 CO -0.08 1.08 -0.30 0.28 -2.27 0.00 0.00 179.45 178.16 1dt7 h VAL 56 N 0.94 1.06 0.00 2.00 2.07 -0.66 -1.59 116.25 120.07 1dt7 h VAL 56 Ca 0.15 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 1dt7 h VAL 56 Cb 0.67 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1dt7 h VAL 56 CO 0.05 0.30 -0.43 0.24 0.02 0.00 0.00 177.57 177.74 1dt7 h MET 57 N 0.00 0.00 -1.00 1.57 2.86 0.07 1.44 114.93 119.87 1dt7 h MET 57 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1dt7 h MET 57 Cb 0.59 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 1dt7 h MET 57 CO 0.04 0.43 0.67 1.49 1.06 0.00 0.00 176.91 180.60 1dt7 h GLU 58 N 0.00 1.32 0.19 1.72 4.81 -0.76 2.83 114.58 124.68 1dt7 h GLU 58 Ca -0.00 -0.08 -0.35 0.00 -0.13 0.00 0.00 59.36 58.80 1dt7 h GLU 58 Cb 0.82 -0.30 0.01 0.00 0.63 0.00 0.00 28.75 29.91 1dt7 h GLU 58 CO 0.06 0.87 -1.71 1.15 -0.73 0.00 0.00 179.01 178.65 1dt7 h THR 59 N 1.36 0.98 0.00 0.32 2.02 -1.36 -3.36 112.91 112.87 1dt7 h THR 59 Ca 0.37 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.99 1dt7 h THR 59 Cb -0.15 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1dt7 h THR 59 CO -0.08 0.85 -0.74 -0.07 0.37 0.00 0.00 175.52 175.86 1dt7 h LEU 60 N 0.11 0.00 -5.31 2.58 -0.00 0.22 -3.38 115.31 109.54 1dt7 h LEU 60 Ca -0.33 -0.08 -0.68 0.00 -0.00 0.00 0.00 57.88 56.79 1dt7 h LEU 60 Cb 2.10 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.77 1dt7 h LEU 60 CO 0.19 0.04 3.64 -0.67 -0.00 0.00 0.00 178.44 181.63 1dt7 n ASP 61 N -2.51 7.29 -0.16 -0.43 -0.08 0.94 -4.55 116.55 117.05 1dt7 n ASP 61 Ca 0.02 -2.66 0.02 0.00 -1.51 0.00 0.00 54.79 50.66 1dt7 n ASP 61 Cb 0.51 -1.59 0.30 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 5.30 0.86 0.00 -0.67 5.08 -1.79 0.27 114.58 123.63 1dt7 h GLU 62 Ca 0.78 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 1dt7 h GLU 62 Cb 0.39 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1dt7 h GLU 62 CO 1.82 0.57 0.00 -0.25 -1.00 0.00 0.00 179.01 180.15 1dt7 n ASP 63 N -4.44 0.19 -2.32 1.42 8.00 -1.26 -4.89 116.55 113.24 1dt7 n ASP 63 Ca 0.07 0.52 -0.20 0.00 0.71 0.00 0.00 54.79 55.89 1dt7 n ASP 63 Cb 0.06 -0.57 -0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 1.38 -0.43 0.74 0.44 0.00 0.95 -4.86 105.19 103.42 1dt7 n GLY 64 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.80 2.83 -0.01 1.61 5.75 -1.26 -4.92 116.55 118.75 1dt7 n ASP 65 Ca -0.21 -1.85 -0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1dt7 n ASP 65 Cb 0.66 -0.19 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.83 0.47 2.91 6.12 0.00 -1.26 -5.00 105.19 109.26 1dt7 n GLY 66 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1dt7 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dt7 s GLU 67 N -0.25 0.10 -0.18 1.61 2.02 -1.26 -2.98 118.70 117.75 1dt7 s GLU 67 Ca 0.00 -0.17 -0.04 0.00 0.02 0.00 0.00 54.97 54.78 1dt7 s GLU 67 Cb 0.00 0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.24 1dt7 s GLU 67 CO 0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 175.26 175.25 1dt7 s ASP 69 N 0.76 3.44 0.28 0.00 -1.08 -1.26 -1.86 116.67 116.95 1dt7 s ASP 69 Ca -0.01 1.14 0.01 0.00 -0.52 0.00 0.00 52.55 53.17 1dt7 s ASP 69 Cb -0.14 -1.78 0.56 0.00 -1.46 0.00 0.00 42.92 40.10 1dt7 s ASP 69 CO 0.02 -2.62 1.83 0.15 0.52 0.00 0.00 175.17 175.07 1dt7 h PHE 70 N -1.54 1.11 -0.54 -5.34 3.57 -1.94 -0.54 116.94 111.71 1dt7 h PHE 70 Ca -0.51 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 60.91 1dt7 h PHE 70 Cb 1.32 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1dt7 h PHE 70 CO 0.34 0.42 -0.10 -0.56 -2.23 0.00 0.00 178.31 176.17 1dt7 h GLN 71 N 0.95 1.02 -0.86 1.11 3.07 -1.94 -2.41 115.11 116.05 1dt7 h GLN 71 Ca 0.50 -0.37 -0.03 0.00 0.09 0.00 0.00 58.65 58.84 1dt7 h GLN 71 Cb 0.52 -0.07 -0.04 0.00 0.08 0.00 0.00 27.48 27.98 1dt7 h GLN 71 CO -0.28 1.06 0.44 0.93 0.09 0.00 0.00 178.83 181.07 1dt7 h GLU 72 N 0.91 1.22 -0.38 0.06 5.08 -1.45 -2.13 114.58 117.88 1dt7 h GLU 72 Ca 0.14 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1dt7 h GLU 72 Cb 0.67 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1dt7 h GLU 72 CO 0.05 0.92 -0.16 0.35 -1.00 0.00 0.00 179.01 179.17 1dt7 h PHE 73 N 1.22 0.78 -0.92 4.33 3.57 -1.24 -2.95 116.94 121.73 1dt7 h PHE 73 Ca 0.30 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1dt7 h PHE 73 Cb 0.08 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 1dt7 h PHE 73 CO 0.01 0.82 0.61 0.52 -2.23 0.00 0.00 178.31 178.04 1dt7 h MET 74 N 0.63 1.21 -0.25 1.11 2.86 -0.88 -2.51 114.93 117.11 1dt7 h MET 74 Ca 0.10 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1dt7 h MET 74 Cb 0.62 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1dt7 h MET 74 CO 0.04 0.80 -0.32 0.00 1.06 0.00 0.00 176.91 178.49 1dt7 h ALA 75 N 1.43 0.98 -0.58 6.32 0.00 -1.30 -2.81 119.26 123.30 1dt7 h ALA 75 Ca 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dt7 h ALA 75 Cb -0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1dt7 h ALA 75 CO -0.07 0.60 0.38 0.35 0.00 0.00 0.00 179.25 180.51 1dt7 h PHE 76 N 0.45 0.74 -1.00 0.00 3.57 -1.43 -1.67 116.94 117.60 1dt7 h PHE 76 Ca 0.05 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1dt7 h PHE 76 Cb 0.78 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1dt7 h PHE 76 CO 0.03 0.47 0.65 0.28 -2.23 0.00 0.00 178.31 177.51 1dt7 h VAL 77 N 0.79 1.26 -0.94 1.41 2.07 -1.39 -2.22 116.25 117.23 1dt7 h VAL 77 Ca 0.21 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1dt7 h VAL 77 Cb -0.08 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.45 1dt7 h VAL 77 CO -0.05 0.26 0.57 0.28 0.02 0.00 0.00 177.57 178.65 1dt7 h SER 78 N 1.36 1.14 -0.07 0.57 0.02 -1.31 -2.12 113.55 113.14 1dt7 h SER 78 Ca 0.36 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 61.05 1dt7 h SER 78 Cb -0.14 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.13 1dt7 h SER 78 CO -0.08 0.87 -0.73 0.24 -1.14 0.00 0.00 176.83 176.00 1dt7 h MET 79 N 1.30 0.61 -0.86 3.45 2.07 -1.40 -3.05 114.93 117.05 1dt7 h MET 79 Ca 0.34 -0.57 -0.03 0.00 -2.07 0.00 0.00 59.70 57.37 1dt7 h MET 79 Cb -0.05 0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 29.78 1dt7 h MET 79 CO -0.06 1.18 0.42 0.28 1.07 0.00 0.00 176.91 179.80 1dt7 h VAL 80 N 0.24 1.26 -0.96 -2.22 2.07 -1.30 -1.89 116.25 113.45 1dt7 h VAL 80 Ca -0.07 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1dt7 h VAL 80 Cb 1.38 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1dt7 h VAL 80 CO 0.15 0.31 0.63 0.74 0.02 0.00 0.00 177.57 179.42 1dt7 h THR 81 N 1.23 1.25 -0.98 2.57 2.02 -1.43 -0.36 112.91 117.20 1dt7 h THR 81 Ca 0.30 -0.44 0.13 0.00 0.77 0.00 0.00 66.41 67.16 1dt7 h THR 81 Cb 0.10 -0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 66.27 1dt7 h THR 81 CO -0.04 0.24 0.62 0.74 0.37 0.00 0.00 175.52 177.45 1dt7 h THR 82 N 1.30 0.89 -1.00 3.16 2.02 -1.23 0.43 112.91 118.48 1dt7 h THR 82 Ca 0.35 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1dt7 h THR 82 Cb -0.15 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.10 1dt7 h THR 82 CO -0.08 0.17 0.66 0.00 0.37 0.00 0.00 175.52 176.65 1dt7 h ALA 83 N 1.56 1.28 -0.39 6.16 0.00 -0.90 -1.09 119.26 125.88 1dt7 h ALA 83 Ca 0.49 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1dt7 h ALA 83 Cb 0.55 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dt7 h ALA 83 CO -0.26 0.67 0.26 0.00 0.00 0.00 0.00 179.25 179.92 1dt7 h HIS 85 N 0.50 1.18 -0.76 0.00 6.17 -0.56 1.95 115.15 123.63 1dt7 h HIS 85 Ca 0.15 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.20 1dt7 h HIS 85 Cb -0.02 -0.40 -0.03 0.00 2.52 0.00 0.00 27.41 29.48 1dt7 h HIS 85 CO -0.00 0.74 0.27 1.49 0.71 0.00 0.00 177.93 181.14 1dt7 h GLU 86 N 1.27 1.17 -0.30 5.26 4.81 -1.24 -2.51 114.58 123.04 1dt7 h GLU 86 Ca 0.35 -0.23 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 1dt7 h GLU 86 Cb -0.14 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.06 1dt7 h GLU 86 CO -0.08 0.97 -0.51 0.35 -0.73 0.00 0.00 179.01 179.01 1dt7 h PHE 87 N 1.12 1.07 0.00 0.92 3.57 -0.71 -3.27 116.94 119.64 1dt7 h PHE 87 Ca 0.25 -0.37 -0.67 0.00 3.53 0.00 0.00 57.97 60.72 1dt7 h PHE 87 Cb 0.27 -0.21 0.02 0.00 2.79 0.00 0.00 35.95 38.82 1dt7 h PHE 87 CO 0.02 1.19 3.66 0.34 -2.23 0.00 0.00 178.31 181.29 1dt7 n PHE 88 N -4.01 2.61 -2.18 0.41 -0.00 0.65 -4.89 117.46 110.04 1dt7 n PHE 88 Ca -0.04 -3.02 -0.41 0.00 -0.00 0.00 0.00 57.45 53.98 1dt7 n PHE 88 Cb 0.61 -2.47 -0.03 0.00 -0.00 0.00 0.00 39.48 37.59 1dt7 n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1dt7 s GLU 89 N 2.46 3.15 -1.06 -4.13 2.12 -1.23 -4.87 118.70 115.14 1dt7 s GLU 89 Ca 0.64 0.83 -0.23 0.00 0.36 0.00 0.00 54.97 56.57 1dt7 s GLU 89 Cb 0.17 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.32 1dt7 s GLU 89 CO -0.06 -2.09 1.85 -1.01 -0.54 0.00 0.00 175.26 173.40 1dt7 s HIS 90 N 7.06 2.07 0.00 5.30 3.76 -1.26 -5.17 115.29 127.05 1dt7 s HIS 90 Ca 0.65 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.68 1dt7 s HIS 90 Cb -0.15 -4.20 0.00 0.00 1.11 0.00 0.00 32.58 29.34 1dt7 s HIS 90 CO 0.27 -1.59 0.00 -0.85 -0.85 0.00 0.00 174.74 171.72