#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 -5.68 0.00 7.83 2.88 -1.26 -4.82 113.62 112.57 1dt7 n SER 1 Ca 0.00 0.09 0.10 0.00 -1.33 0.00 0.00 58.87 57.74 1dt7 n SER 1 Cb 0.00 -4.76 0.46 0.00 -0.75 0.00 0.00 64.21 59.16 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 -2.82 0.00 -0.09 -1.46 1.02 -1.26 -3.67 120.64 112.35 1dt7 n GLU 2 Ca -0.23 0.13 0.24 0.00 -0.02 0.00 0.00 57.16 57.28 1dt7 n GLU 2 Cb 0.68 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 31.07 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 -0.45 -4.62 5.85 -1.99 1.20 115.31 115.29 1dt7 h LEU 3 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1dt7 h LEU 3 Cb 0.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1dt7 h LEU 3 CO 0.00 0.00 -0.62 1.05 -0.34 0.00 0.00 178.44 178.53 1dt7 h GLU 4 N 0.00 0.54 0.02 1.25 4.11 -1.98 -2.40 114.58 116.11 1dt7 h GLU 4 Ca 0.38 -0.37 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 1dt7 h GLU 4 Cb 2.43 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.71 1dt7 h GLU 4 CO -0.00 0.99 -1.23 1.57 0.07 0.00 0.00 179.01 180.41 1dt7 h LYS 5 N 0.40 0.04 -0.31 1.06 2.10 0.11 -3.13 116.57 116.84 1dt7 h LYS 5 Ca -0.01 -0.06 -0.18 0.00 -2.00 0.00 0.00 60.65 58.40 1dt7 h LYS 5 Cb 1.18 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1dt7 h LYS 5 CO 0.11 0.90 -0.52 0.00 -2.00 0.00 0.00 179.45 177.95 1dt7 h ALA 6 N 0.93 0.48 -0.57 0.07 0.00 -1.38 -2.20 119.26 116.59 1dt7 h ALA 6 Ca -0.10 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1dt7 h ALA 6 Cb 1.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1dt7 h ALA 6 CO 0.12 0.68 -0.07 0.52 0.00 0.00 0.00 179.25 180.50 1dt7 h MET 7 N 0.69 1.06 -0.59 0.00 2.86 -1.54 -2.15 114.93 115.26 1dt7 h MET 7 Ca 0.02 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 57.21 1dt7 h MET 7 Cb 1.13 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1dt7 h MET 7 CO 0.12 1.07 0.07 0.28 1.06 0.00 0.00 176.91 179.51 1dt7 h VAL 8 N 0.95 1.25 -0.25 -2.22 2.07 -1.49 -2.94 116.25 113.62 1dt7 h VAL 8 Ca 0.15 -1.02 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 1dt7 h VAL 8 Cb 0.64 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1dt7 h VAL 8 CO 0.04 0.37 -0.45 0.00 0.02 0.00 0.00 177.57 177.55 1dt7 h ALA 9 N 1.15 0.73 -1.01 1.67 0.00 -1.19 -2.39 119.26 118.22 1dt7 h ALA 9 Ca 0.18 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1dt7 h ALA 9 Cb 0.44 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1dt7 h ALA 9 CO 0.01 0.67 0.66 1.25 0.00 0.00 0.00 179.25 181.84 1dt7 h LEU 10 N 0.52 1.10 -0.38 0.00 7.12 -1.22 -1.92 115.31 120.52 1dt7 h LEU 10 Ca 0.03 -0.01 -0.16 0.00 0.13 0.00 0.00 57.88 57.87 1dt7 h LEU 10 Cb 0.99 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 1dt7 h LEU 10 CO 0.09 0.75 -0.40 0.40 -0.13 0.00 0.00 178.44 179.15 1dt7 h ILE 11 N 1.27 1.27 -0.39 4.05 2.04 -1.35 -3.12 117.51 121.28 1dt7 h ILE 11 Ca 0.40 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1dt7 h ILE 11 Cb 0.01 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1dt7 h ILE 11 CO -0.13 0.53 0.26 -0.78 0.00 0.00 0.00 178.15 178.02 1dt7 h ASP 12 N 0.77 0.44 -0.53 1.72 1.82 -0.84 -2.83 116.42 116.97 1dt7 h ASP 12 Ca 0.06 -0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.57 1dt7 h ASP 12 Cb 1.00 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.88 1dt7 h ASP 12 CO 0.10 0.32 -0.14 1.62 -1.61 0.00 0.00 179.24 179.53 1dt7 h VAL 13 N 0.52 1.27 -1.00 2.25 3.04 -1.53 -2.99 116.25 117.81 1dt7 h VAL 13 Ca 0.14 -1.31 0.01 0.00 -1.01 0.00 0.00 66.70 64.54 1dt7 h VAL 13 Cb -0.06 1.00 -0.05 0.00 -2.01 0.00 0.00 31.29 30.17 1dt7 h VAL 13 CO -0.03 0.46 0.66 0.15 -1.01 0.00 0.00 177.57 177.80 1dt7 h PHE 14 N 0.91 1.26 0.00 3.17 3.57 -1.47 -1.04 116.94 123.34 1dt7 h PHE 14 Ca 0.13 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1dt7 h PHE 14 Cb 0.72 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1dt7 h PHE 14 CO 0.05 0.80 -0.20 0.45 -2.23 0.00 0.00 178.31 177.17 1dt7 h HIS 15 N 1.36 0.00 -0.96 0.41 3.86 -1.36 -1.48 115.15 116.97 1dt7 h HIS 15 Ca 0.37 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.58 1dt7 h HIS 15 Cb -0.15 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.27 1dt7 h HIS 15 CO 0.00 0.20 0.63 1.96 0.86 0.00 0.00 177.93 181.59 1dt7 h GLN 16 N 0.00 1.26 0.00 2.45 1.08 -1.07 -2.82 115.11 116.01 1dt7 h GLN 16 Ca -0.00 -0.08 -0.30 0.00 -1.45 0.00 0.00 58.65 56.82 1dt7 h GLN 16 Cb 0.41 -0.28 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 1dt7 h GLN 16 CO 0.03 0.84 -1.83 0.66 -0.95 0.00 0.00 178.83 177.58 1dt7 n TYR 17 N -4.41 0.82 -0.35 2.96 4.02 -1.05 -3.89 117.16 115.25 1dt7 n TYR 17 Ca 0.11 0.30 -0.02 0.00 -0.01 0.00 0.00 57.90 58.28 1dt7 n TYR 17 Cb 0.01 -1.15 0.13 0.00 -0.02 0.00 0.00 39.34 38.31 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 1.11 0.59 7.72 4.64 -1.21 -0.35 113.55 126.05 1dt7 h SER 18 Ca -0.33 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1dt7 h SER 18 Cb 2.05 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1dt7 h SER 18 CO 0.07 0.81 -0.03 0.61 -0.87 0.00 0.00 176.83 177.42 1dt7 n GLY 19 N -1.38 -1.26 0.04 -0.77 0.00 -1.07 -2.94 105.19 97.82 1dt7 n GLY 19 Ca 0.11 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 0.09 -0.00 -0.01 1.61 2.43 -1.16 -2.42 114.38 114.91 1dt7 h ARG 20 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dt7 h ARG 20 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1dt7 h ARG 20 CO 0.00 -0.00 -0.12 -1.91 -1.51 0.00 0.00 179.97 176.43 1dt7 n GLU 21 N -5.09 1.42 -0.00 0.20 2.13 -1.25 -4.90 120.64 113.14 1dt7 n GLU 21 Ca -0.07 -0.90 0.00 0.00 0.66 0.00 0.00 57.16 56.85 1dt7 n GLU 21 Cb 0.03 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1dt7 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dt7 n GLY 22 N 1.27 1.50 2.74 8.31 0.00 -0.91 -4.94 105.19 113.15 1dt7 n GLY 22 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 4.66 -0.25 1.61 8.00 -1.15 -4.69 116.55 124.73 1dt7 n ASP 23 Ca 0.00 -2.92 -0.08 0.00 0.71 0.00 0.00 54.79 52.51 1dt7 n ASP 23 Cb 0.00 -1.59 0.05 0.00 -0.02 0.00 0.00 41.12 39.56 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 5.82 1.14 0.00 -1.24 3.64 -1.91 -3.00 116.57 121.02 1dt7 h LYS 24 Ca 0.54 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1dt7 h LYS 24 Cb 0.60 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1dt7 h LYS 24 CO 1.79 1.02 -0.38 1.25 -2.27 0.00 0.00 179.45 180.86 1dt7 h HIS 25 N 1.07 0.00 -4.12 1.91 2.76 -1.90 -3.47 115.15 111.42 1dt7 h HIS 25 Ca 0.22 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.24 1dt7 h HIS 25 Cb 0.40 0.00 -0.16 0.00 1.55 0.00 0.00 27.41 29.20 1dt7 h HIS 25 CO 0.03 0.38 -0.69 -1.59 -1.30 0.00 0.00 177.93 174.76 1dt7 s LYS 26 N -3.18 0.59 -0.08 5.26 -2.85 -1.13 -4.43 119.74 113.92 1dt7 s LYS 26 Ca 0.03 -1.11 0.04 0.00 -1.00 0.00 0.00 55.97 53.94 1dt7 s LYS 26 Cb 0.08 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1dt7 s LYS 26 CO 0.71 -0.08 -0.20 -1.17 0.10 0.00 0.00 175.35 174.71 1dt7 s LEU 27 N -2.61 1.94 -0.00 2.77 2.96 -0.77 -4.54 118.68 118.42 1dt7 s LEU 27 Ca 0.03 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1dt7 s LEU 27 Cb 0.03 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 1dt7 s LEU 27 CO -0.07 0.14 0.17 -0.75 -1.32 0.00 0.00 176.35 174.52 1dt7 s LYS 28 N 0.31 3.40 0.62 1.98 2.20 -1.26 -0.76 119.74 126.23 1dt7 s LYS 28 Ca -0.13 -0.35 0.23 0.00 -0.36 0.00 0.00 55.97 55.35 1dt7 s LYS 28 Cb -0.16 -3.07 0.96 0.00 -1.51 0.00 0.00 37.83 34.05 1dt7 s LYS 28 CO 0.06 0.67 1.45 1.57 -0.36 0.00 0.00 175.35 178.73 1dt7 h LYS 29 N 3.77 0.00 0.01 4.03 2.10 -1.93 0.58 116.57 125.13 1dt7 h LYS 29 Ca -0.49 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1dt7 h LYS 29 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1dt7 h LYS 29 CO 0.69 0.00 -0.00 0.77 -2.00 0.00 0.00 179.45 178.91 1dt7 h SER 30 N 0.00 -0.01 -0.35 7.07 0.02 -1.92 -2.44 113.55 115.92 1dt7 h SER 30 Ca 0.29 -0.70 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 1dt7 h SER 30 Cb 2.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.67 1dt7 h SER 30 CO -0.00 0.71 0.02 -0.08 -1.14 0.00 0.00 176.83 176.33 1dt7 h GLU 31 N -0.74 0.71 -0.97 3.45 4.81 -0.33 -2.43 114.58 119.08 1dt7 h GLU 31 Ca -0.00 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1dt7 h GLU 31 Cb 0.71 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 1dt7 h GLU 31 CO 0.00 0.71 0.64 1.25 -0.73 0.00 0.00 179.01 180.88 1dt7 h LEU 32 N 0.67 1.11 -1.00 1.64 5.85 -0.89 -2.18 115.31 120.51 1dt7 h LEU 32 Ca 0.14 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1dt7 h LEU 32 Cb 0.39 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1dt7 h LEU 32 CO 0.01 0.81 0.67 0.50 -0.34 0.00 0.00 178.44 180.09 1dt7 h LYS 33 N 1.31 1.32 -0.92 1.25 3.64 -0.92 -1.70 116.57 120.54 1dt7 h LYS 33 Ca 0.35 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1dt7 h LYS 33 Cb -0.15 -0.30 -0.04 0.00 -0.41 0.00 0.00 32.23 31.33 1dt7 h LYS 33 CO -0.08 0.87 0.53 0.93 -2.27 0.00 0.00 179.45 179.44 1dt7 h GLU 34 N 1.36 1.27 0.00 1.90 3.07 -1.35 0.25 114.58 121.09 1dt7 h GLU 34 Ca 0.37 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1dt7 h GLU 34 Cb -0.16 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 27.50 1dt7 h GLU 34 CO -0.08 0.91 -0.00 1.25 -1.40 0.00 0.00 179.01 179.69 1dt7 h LEU 35 N 1.29 -0.00 -0.25 1.33 6.46 -1.11 -0.89 115.31 122.13 1dt7 h LEU 35 Ca 0.33 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.90 1dt7 h LEU 35 Cb -0.01 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1dt7 h LEU 35 CO -0.06 0.08 -0.26 0.40 -0.62 0.00 0.00 178.44 177.98 1dt7 h ILE 36 N -0.08 1.31 0.03 4.05 2.04 -0.94 0.15 117.51 124.07 1dt7 h ILE 36 Ca -0.00 -1.43 -0.23 0.00 1.00 0.00 0.00 64.86 64.19 1dt7 h ILE 36 Cb 0.08 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1dt7 h ILE 36 CO 0.00 0.45 -1.00 0.78 0.00 0.00 0.00 178.15 178.38 1dt7 h ASN 37 N 0.32 0.46 0.06 1.72 2.35 -0.53 -3.21 115.58 116.75 1dt7 h ASN 37 Ca 0.04 -0.39 -0.36 0.00 -0.55 0.00 0.00 56.30 55.03 1dt7 h ASN 37 Cb 0.83 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.99 1dt7 h ASN 37 CO 0.06 1.22 -2.31 0.59 -1.65 0.00 0.00 177.43 175.34 1dt7 n ASN 38 N -3.68 0.20 0.01 5.81 5.03 -0.34 -4.02 115.26 118.26 1dt7 n ASN 38 Ca -0.07 0.04 0.13 0.00 0.87 0.00 0.00 54.58 55.56 1dt7 n ASN 38 Cb 0.87 0.81 0.47 0.00 -1.02 0.00 0.00 39.78 40.90 1dt7 n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1dt7 n GLU 39 N -2.81 0.03 -3.03 3.52 2.13 0.51 -4.03 120.64 116.96 1dt7 n GLU 39 Ca -0.32 0.02 -0.20 0.00 0.66 0.00 0.00 57.16 57.32 1dt7 n GLU 39 Cb 1.14 -1.53 -0.03 0.00 0.27 0.00 0.00 31.44 31.30 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 -1.57 2.22 -0.38 4.31 4.77 -1.21 -4.87 117.00 120.27 1dt7 n LEU 40 Ca 0.06 -5.11 -0.02 0.00 -0.03 0.00 0.00 56.01 50.91 1dt7 n LEU 40 Cb 0.35 0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 1dt7 n LEU 40 CO 0.30 2.24 1.30 0.28 -1.33 0.00 0.00 177.39 180.18 1dt7 h SER 41 N 2.97 1.15 0.00 -1.43 0.02 -1.70 -3.35 113.55 111.22 1dt7 h SER 41 Ca 0.10 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1dt7 h SER 41 Cb 0.84 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1dt7 h SER 41 CO 0.62 0.84 -0.01 1.41 -1.14 0.00 0.00 176.83 178.54 1dt7 n HIS 42 N -4.38 0.00 0.18 3.45 8.25 -1.26 -4.65 115.22 116.82 1dt7 n HIS 42 Ca 0.12 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.62 1dt7 n HIS 42 Cb 0.01 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.47 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 0.00 -4.46 4.41 3.57 -1.90 -3.45 116.94 115.10 1dt7 h PHE 43 Ca 0.00 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 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 0.41 -0.51 -1.17 -2.23 0.00 0.00 178.31 174.81 1dt7 s LEU 44 N -7.56 1.09 -0.16 0.59 2.96 -1.25 -5.10 118.68 109.25 1dt7 s LEU 44 Ca -0.01 -1.37 -0.29 0.00 -0.22 0.00 0.00 54.13 52.23 1dt7 s LEU 44 Cb 0.13 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.46 1dt7 s LEU 44 CO 0.71 -0.94 1.52 -1.83 -1.32 0.00 0.00 176.35 174.49 1dt7 s GLU 45 N -3.99 4.03 0.78 1.98 -1.05 -1.26 -4.70 118.70 114.50 1dt7 s GLU 45 Ca 0.36 1.80 -0.13 0.00 -0.15 0.00 0.00 54.97 56.85 1dt7 s GLU 45 Cb 0.05 -3.94 0.07 0.00 -0.44 0.00 0.00 34.13 29.87 1dt7 s GLU 45 CO 0.14 -1.00 1.16 -2.00 0.95 0.00 0.00 175.26 174.51 1dt7 s GLU 46 N 4.15 1.89 -0.21 -4.83 2.12 -1.26 -4.96 118.70 115.60 1dt7 s GLU 46 Ca 0.67 1.57 -0.09 0.00 0.36 0.00 0.00 54.97 57.48 1dt7 s GLU 46 Cb -0.26 -1.82 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 1dt7 s GLU 46 CO 0.25 -1.99 0.11 0.42 -0.54 0.00 0.00 175.26 173.51 1dt7 s ILE 47 N -2.35 5.07 -0.04 -3.70 1.01 -1.26 -4.97 121.20 114.95 1dt7 s ILE 47 Ca 0.69 0.07 0.22 0.00 0.00 0.00 0.00 60.65 61.64 1dt7 s ILE 47 Cb -0.25 -3.32 -0.32 0.00 0.01 0.00 0.00 42.46 38.58 1dt7 s ILE 47 CO 0.50 0.41 0.51 0.29 0.00 0.00 0.00 174.94 176.66 1dt7 n LYS 48 N 3.84 0.66 -4.66 2.79 4.76 -1.26 -4.88 118.16 119.41 1dt7 n LYS 48 Ca -0.16 -0.18 -0.24 0.00 -2.87 0.00 0.00 58.31 54.86 1dt7 n LYS 48 Cb 0.52 -1.54 -0.16 0.00 -1.84 0.00 0.00 35.03 32.02 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 -3.51 1.40 0.59 1.97 2.12 -1.26 -5.01 118.70 115.00 1dt7 s GLU 49 Ca -0.08 -0.50 0.29 0.00 0.36 0.00 0.00 54.97 55.05 1dt7 s GLU 49 Cb 0.14 -1.26 1.82 0.00 0.26 0.00 0.00 34.13 35.08 1dt7 s GLU 49 CO 0.90 0.22 2.26 0.37 -0.54 0.00 0.00 175.26 178.47 1dt7 h GLN 50 N 6.20 0.00 -0.87 4.30 5.75 -2.01 -2.28 115.11 126.20 1dt7 h GLN 50 Ca -0.33 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.18 1dt7 h GLN 50 Cb 1.17 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.68 1dt7 h GLN 50 CO 0.48 0.00 0.57 1.05 -2.65 0.00 0.00 178.83 178.29 1dt7 h GLU 51 N 0.00 1.14 -1.00 1.69 -0.00 -1.99 -1.19 114.58 113.22 1dt7 h GLU 51 Ca -0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 59.36 59.30 1dt7 h GLU 51 Cb 0.00 -0.26 -0.05 0.00 -0.00 0.00 0.00 28.75 28.45 1dt7 h GLU 51 CO 0.00 0.75 0.66 0.28 -0.00 0.00 0.00 179.01 180.71 1dt7 h VAL 52 N 1.17 1.26 -0.53 -1.06 2.07 -1.84 -0.40 116.25 116.92 1dt7 h VAL 52 Ca 0.32 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1dt7 h VAL 52 Cb -0.14 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.39 1dt7 h VAL 52 CO -0.07 0.25 0.14 0.58 0.02 0.00 0.00 177.57 178.49 1dt7 h VAL 53 N 1.36 1.22 -0.61 2.57 2.07 -1.36 -1.63 116.25 119.88 1dt7 h VAL 53 Ca 0.37 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1dt7 h VAL 53 Cb -0.15 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1dt7 h VAL 53 CO -0.08 0.29 0.12 0.44 0.02 0.00 0.00 177.57 178.37 1dt7 h ASP 54 N 0.78 0.91 -0.34 0.57 3.32 -0.25 0.43 116.42 121.84 1dt7 h ASP 54 Ca 0.17 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1dt7 h ASP 54 Cb 0.28 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1dt7 h ASP 54 CO -0.00 0.89 -0.36 0.50 -1.72 0.00 0.00 179.24 178.55 1dt7 h LYS 55 N 0.91 0.88 0.00 3.56 3.64 -0.88 -2.07 116.57 122.62 1dt7 h LYS 55 Ca 0.19 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1dt7 h LYS 55 Cb 0.36 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1dt7 h LYS 55 CO 0.00 1.09 -0.26 0.28 -2.27 0.00 0.00 179.45 178.30 1dt7 h VAL 56 N 0.73 1.03 -0.25 2.00 2.07 -0.89 -1.89 116.25 119.05 1dt7 h VAL 56 Ca 0.07 -0.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 1dt7 h VAL 56 Cb 0.94 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1dt7 h VAL 56 CO 0.09 0.26 -0.35 0.24 0.02 0.00 0.00 177.57 177.82 1dt7 h MET 57 N 0.00 0.54 -0.94 1.57 2.86 -0.24 0.26 114.93 118.97 1dt7 h MET 57 Ca -0.00 -0.25 0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1dt7 h MET 57 Cb 0.52 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 1dt7 h MET 57 CO 0.03 0.82 0.60 0.93 1.06 0.00 0.00 176.91 180.35 1dt7 h GLU 58 N 0.45 0.84 0.01 1.72 5.08 -0.86 3.06 114.58 124.89 1dt7 h GLU 58 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1dt7 h GLU 58 Cb 0.83 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1dt7 h GLU 58 CO 0.07 0.56 -0.07 1.15 -1.00 0.00 0.00 179.01 179.71 1dt7 h THR 59 N 0.87 1.77 0.00 1.13 2.02 -1.37 -3.37 112.91 113.96 1dt7 h THR 59 Ca 0.47 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 65.28 1dt7 h THR 59 Cb 0.56 3.38 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1dt7 h THR 59 CO -0.23 0.62 -0.70 0.18 0.37 0.00 0.00 175.52 175.76 1dt7 n LEU 60 N -4.57 0.66 -3.38 2.58 4.77 0.85 -4.29 117.00 113.62 1dt7 n LEU 60 Ca -0.10 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 1dt7 n LEU 60 Cb 0.51 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1dt7 n LEU 60 CO 0.35 -0.02 3.17 -0.67 -1.33 0.00 0.00 177.39 178.89 1dt7 n ASP 61 N -2.03 8.23 -0.38 -1.43 -0.08 1.02 -4.57 116.55 117.30 1dt7 n ASP 61 Ca 0.03 -2.69 -0.01 0.00 -1.51 0.00 0.00 54.79 50.60 1dt7 n ASP 61 Cb 0.43 -1.53 0.12 0.00 2.34 0.00 0.00 41.12 42.48 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 5.02 1.30 0.00 -0.67 5.08 -1.78 0.35 114.58 123.89 1dt7 h GLU 62 Ca 0.82 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1dt7 h GLU 62 Cb 0.32 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1dt7 h GLU 62 CO 1.74 0.86 0.00 -0.44 -1.00 0.00 0.00 179.01 180.18 1dt7 h ASP 63 N 1.34 0.00 -3.36 1.42 3.32 -1.85 -3.46 116.42 113.84 1dt7 h ASP 63 Ca 0.38 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 57.05 1dt7 h ASP 63 Cb -0.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.45 1dt7 h ASP 63 CO -0.09 0.00 -0.53 0.61 -1.72 0.00 0.00 179.24 177.51 1dt7 n GLY 64 N 0.01 -0.43 0.89 2.75 0.00 0.12 -4.86 105.19 103.68 1dt7 n GLY 64 Ca 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.92 3.41 0.00 1.61 5.75 -1.26 -4.92 116.55 119.22 1dt7 n ASP 65 Ca -0.18 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1dt7 n ASP 65 Cb 0.65 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.67 0.88 3.02 6.12 0.00 -1.26 -4.98 105.19 109.64 1dt7 n GLY 66 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1dt7 n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dt7 s GLU 67 N -0.02 0.17 -0.10 1.61 -1.05 -1.26 -3.07 118.70 114.99 1dt7 s GLU 67 Ca 0.00 0.38 -0.06 0.00 -0.15 0.00 0.00 54.97 55.14 1dt7 s GLU 67 Cb 0.00 -0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.59 1dt7 s GLU 67 CO 0.00 -0.11 0.14 0.00 0.95 0.00 0.00 175.26 176.23 1dt7 s ASP 69 N -1.20 5.87 0.42 0.00 1.01 -1.26 -1.85 116.67 119.66 1dt7 s ASP 69 Ca 0.17 1.45 0.24 0.00 0.71 0.00 0.00 52.55 55.11 1dt7 s ASP 69 Cb -0.12 -2.42 1.25 0.00 1.01 0.00 0.00 42.92 42.64 1dt7 s ASP 69 CO 0.07 -1.10 1.72 0.15 0.21 0.00 0.00 175.17 176.22 1dt7 h PHE 70 N -0.48 0.56 -0.01 4.23 3.57 -1.92 0.29 116.94 123.19 1dt7 h PHE 70 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1dt7 h PHE 70 Cb 1.20 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1dt7 h PHE 70 CO 0.63 -0.03 0.00 0.37 -2.23 0.00 0.00 178.31 177.05 1dt7 h GLN 71 N 0.26 0.01 -1.01 1.11 4.15 -1.95 -1.29 115.11 116.39 1dt7 h GLN 71 Ca 0.67 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 60.10 1dt7 h GLN 71 Cb 1.92 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.56 1dt7 h GLN 71 CO -0.31 0.01 0.67 0.93 -1.93 0.00 0.00 178.83 178.19 1dt7 h GLU 72 N 0.01 1.33 -0.06 1.69 5.08 -0.76 -1.65 114.58 120.21 1dt7 h GLU 72 Ca 0.00 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1dt7 h GLU 72 Cb -0.00 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1dt7 h GLU 72 CO -0.00 0.88 -0.48 0.35 -1.00 0.00 0.00 179.01 178.76 1dt7 h PHE 73 N 1.37 0.19 -0.82 4.33 3.57 -1.25 -2.93 116.94 121.39 1dt7 h PHE 73 Ca 0.37 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1dt7 h PHE 73 Cb -0.15 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1dt7 h PHE 73 CO -0.00 0.61 0.54 0.52 -2.23 0.00 0.00 178.31 177.75 1dt7 h MET 74 N 0.13 1.07 -0.44 1.11 2.86 -0.25 -2.11 114.93 117.30 1dt7 h MET 74 Ca 0.01 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1dt7 h MET 74 Cb 0.90 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1dt7 h MET 74 CO 0.07 0.71 -0.11 0.00 1.06 0.00 0.00 176.91 178.64 1dt7 h ALA 75 N 1.49 0.99 -1.01 6.32 0.00 -1.32 -2.90 119.26 122.84 1dt7 h ALA 75 Ca 0.30 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dt7 h ALA 75 Cb -0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1dt7 h ALA 75 CO -0.07 0.60 0.67 0.35 0.00 0.00 0.00 179.25 180.81 1dt7 h PHE 76 N 0.71 1.27 -0.63 0.00 3.57 -1.41 -2.24 116.94 118.22 1dt7 h PHE 76 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1dt7 h PHE 76 Cb 0.59 -0.43 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1dt7 h PHE 76 CO 0.03 0.80 0.41 0.28 -2.23 0.00 0.00 178.31 177.60 1dt7 h VAL 77 N 1.37 1.17 -0.82 1.41 2.07 -1.33 -2.07 116.25 118.04 1dt7 h VAL 77 Ca 0.37 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1dt7 h VAL 77 Cb -0.16 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 1dt7 h VAL 77 CO -0.08 0.16 0.35 -1.28 0.02 0.00 0.00 177.57 176.74 1dt7 h SER 78 N 0.86 1.11 -0.12 0.57 0.87 -1.36 -1.69 113.55 113.78 1dt7 h SER 78 Ca 0.23 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1dt7 h SER 78 Cb -0.08 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.59 1dt7 h SER 78 CO -0.05 0.97 -0.24 0.24 -0.53 0.00 0.00 176.83 177.22 1dt7 h MET 79 N 1.19 0.37 -0.73 2.24 2.07 -1.36 -2.86 114.93 115.85 1dt7 h MET 79 Ca 0.28 -0.24 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 1dt7 h MET 79 Cb 0.19 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 1dt7 h MET 79 CO -0.03 0.84 0.39 0.28 1.07 0.00 0.00 176.91 179.46 1dt7 h VAL 80 N -0.05 1.22 -0.93 -2.22 2.07 -1.33 -1.47 116.25 113.55 1dt7 h VAL 80 Ca 0.00 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1dt7 h VAL 80 Cb 0.83 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1dt7 h VAL 80 CO 0.05 0.25 0.61 0.74 0.02 0.00 0.00 177.57 179.24 1dt7 h THR 81 N 1.02 1.23 -0.96 2.57 2.02 -1.30 -0.19 112.91 117.30 1dt7 h THR 81 Ca 0.26 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1dt7 h THR 81 Cb 0.04 -0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.26 1dt7 h THR 81 CO -0.04 0.23 0.63 0.74 0.37 0.00 0.00 175.52 177.44 1dt7 h THR 82 N 1.25 1.09 -1.00 3.16 2.02 -1.03 0.47 112.91 118.87 1dt7 h THR 82 Ca 0.34 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1dt7 h THR 82 Cb -0.14 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.08 1dt7 h THR 82 CO -0.08 0.21 0.66 0.00 0.37 0.00 0.00 175.52 176.68 1dt7 h ALA 83 N 1.47 1.28 -0.55 6.16 0.00 -0.81 -1.72 119.26 125.09 1dt7 h ALA 83 Ca 0.41 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1dt7 h ALA 83 Cb 0.15 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1dt7 h ALA 83 CO -0.15 0.67 0.36 0.00 0.00 0.00 0.00 179.25 180.12 1dt7 h HIS 85 N 0.61 1.26 -0.88 0.00 6.17 -0.98 1.54 115.15 122.87 1dt7 h HIS 85 Ca 0.22 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.30 1dt7 h HIS 85 Cb 0.13 -0.43 -0.04 0.00 2.52 0.00 0.00 27.41 29.59 1dt7 h HIS 85 CO -0.00 0.80 0.45 0.93 0.71 0.00 0.00 177.93 180.82 1dt7 h GLU 86 N 1.36 1.25 0.03 5.26 4.39 -1.16 0.71 114.58 126.41 1dt7 h GLU 86 Ca 0.36 -0.16 -0.26 0.00 0.34 0.00 0.00 59.36 59.64 1dt7 h GLU 86 Cb -0.15 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.23 1dt7 h GLU 86 CO -0.08 0.93 -1.34 0.74 -1.16 0.00 0.00 179.01 178.10 1dt7 h PHE 87 N 1.25 0.12 -0.45 4.33 0.04 -1.03 -3.26 116.94 117.94 1dt7 h PHE 87 Ca 0.31 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1dt7 h PHE 87 Cb 0.07 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1dt7 h PHE 87 CO 0.01 1.10 0.00 1.19 -0.60 0.00 0.00 178.31 180.01 1dt7 n PHE 88 N -3.29 0.60 -1.54 -0.55 3.01 0.52 -4.88 117.46 111.33 1dt7 n PHE 88 Ca -0.09 -0.30 -0.34 0.00 1.01 0.00 0.00 57.45 57.73 1dt7 n PHE 88 Cb 1.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.41 1dt7 n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1dt7 n GLU 89 N 0.96 0.77 -0.21 -1.08 2.13 0.24 -4.74 120.64 118.72 1dt7 n GLU 89 Ca 0.17 -0.10 0.01 0.00 0.66 0.00 0.00 57.16 57.90 1dt7 n GLU 89 Cb 0.44 -3.08 0.26 0.00 0.27 0.00 0.00 31.44 29.33 1dt7 n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1dt7 h HIS 90 N 17.33 0.92 0.00 4.31 3.86 -1.89 -3.50 115.15 136.17 1dt7 h HIS 90 Ca -0.17 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1dt7 h HIS 90 Cb 1.24 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1dt7 h HIS 90 CO 1.02 0.58 0.00 -1.91 0.86 0.00 0.00 177.93 178.48