#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d10 n SER 1 N 0.00 0.38 0.20 7.83 3.41 -1.26 -4.78 113.62 119.40 3d10 n SER 1 Ca 0.00 0.46 0.04 0.00 -0.26 0.00 0.00 58.87 59.11 3d10 n SER 1 Cb 0.00 -1.47 0.42 0.00 -0.26 0.00 0.00 64.21 62.90 3d10 n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3d10 h GLU 2 N -1.59 0.00 0.26 4.33 4.39 -2.05 -0.70 114.58 119.22 3d10 h GLU 2 Ca -0.44 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 3d10 h GLU 2 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3d10 h GLU 2 CO 0.42 0.32 -0.13 1.25 -1.16 0.00 0.00 179.01 179.71 3d10 h LEU 3 N 0.00 -0.30 -0.97 1.33 5.85 -1.99 0.03 115.31 119.25 3d10 h LEU 3 Ca -0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3d10 h LEU 3 Cb 0.58 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3d10 h LEU 3 CO 0.04 -0.14 0.65 -0.33 -0.34 0.00 0.00 178.44 178.32 3d10 h GLU 4 N -0.44 1.28 -0.58 1.25 5.08 -1.89 -0.14 114.58 119.14 3d10 h GLU 4 Ca -0.04 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3d10 h GLU 4 Cb 0.34 -0.29 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 3d10 h GLU 4 CO 0.06 0.85 0.15 0.87 -1.00 0.00 0.00 179.01 179.94 3d10 h LYS 5 N 1.32 0.29 -0.51 2.33 1.57 -0.87 -1.80 116.57 118.89 3d10 h LYS 5 Ca 0.36 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 3d10 h LYS 5 Cb -0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3d10 h LYS 5 CO -0.08 0.19 0.07 0.00 -0.57 0.00 0.00 179.45 179.06 3d10 h ALA 6 N 1.44 0.68 -0.83 3.86 0.00 -0.19 -0.95 119.26 123.27 3d10 h ALA 6 Ca 0.30 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3d10 h ALA 6 Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3d10 h ALA 6 CO -0.35 0.43 0.54 0.52 0.00 0.00 0.00 179.25 180.38 3d10 h MET 7 N 0.73 1.10 -0.29 0.00 2.86 -0.72 -1.22 114.93 117.39 3d10 h MET 7 Ca 0.15 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.54 3d10 h MET 7 Cb 0.42 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3d10 h MET 7 CO 0.01 0.74 -0.53 0.28 1.06 0.00 0.00 176.91 178.48 3d10 h VAL 8 N 1.13 1.28 -0.87 -2.22 2.07 -0.96 -2.52 116.25 114.17 3d10 h VAL 8 Ca 0.30 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 66.17 3d10 h VAL 8 Cb -0.11 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3d10 h VAL 8 CO -0.06 0.56 0.53 0.00 0.02 0.00 0.00 177.57 178.62 3d10 h ALA 9 N 0.75 1.20 -0.28 1.67 0.00 -0.80 0.32 119.26 122.12 3d10 h ALA 9 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3d10 h ALA 9 Cb 1.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3d10 h ALA 9 CO 0.12 0.26 0.16 -0.07 0.00 0.00 0.00 179.25 179.72 3d10 h LEU 10 N 0.96 0.34 -0.48 0.00 3.38 -0.81 0.39 115.31 119.09 3d10 h LEU 10 Ca 0.38 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 3d10 h LEU 10 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3d10 h LEU 10 CO -0.18 0.30 0.13 0.40 0.09 0.00 0.00 178.44 179.17 3d10 h ILE 11 N 0.35 1.23 -0.06 1.22 2.04 -1.20 -2.22 117.51 118.87 3d10 h ILE 11 Ca 0.10 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3d10 h ILE 11 Cb 0.02 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3d10 h ILE 11 CO -0.02 0.29 -0.04 -0.78 0.00 0.00 0.00 178.15 177.61 3d10 h ASP 12 N 0.65 0.14 -0.72 1.72 -0.00 -0.60 -2.52 116.42 115.08 3d10 h ASP 12 Ca 0.15 -0.43 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 3d10 h ASP 12 Cb 0.31 -0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.57 3d10 h ASP 12 CO -0.00 0.54 0.47 0.58 -0.00 0.00 0.00 179.24 180.83 3d10 h VAL 13 N -0.26 1.19 -0.28 2.25 2.07 -0.95 -1.38 116.25 118.90 3d10 h VAL 13 Ca 0.01 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3d10 h VAL 13 Cb 0.49 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3d10 h VAL 13 CO 0.01 0.19 0.01 0.15 0.02 0.00 0.00 177.57 177.95 3d10 h PHE 14 N 0.98 0.00 0.00 1.57 3.57 -1.23 -2.14 116.94 119.70 3d10 h PHE 14 Ca 0.26 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3d10 h PHE 14 Cb -0.09 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3d10 h PHE 14 CO -0.02 -0.04 -0.51 0.45 -2.23 0.00 0.00 178.31 175.97 3d10 h HIS 15 N 0.10 0.00 -0.73 0.41 3.86 -1.22 0.19 115.15 117.76 3d10 h HIS 15 Ca 0.14 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 3d10 h HIS 15 Cb 0.17 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.59 3d10 h HIS 15 CO -0.21 0.51 0.43 1.96 0.86 0.00 0.00 177.93 181.48 3d10 h GLN 16 N 0.00 0.78 0.10 2.45 4.20 -0.60 -2.26 115.11 119.78 3d10 h GLN 16 Ca -0.01 -0.05 -0.35 0.00 0.06 0.00 0.00 58.65 58.31 3d10 h GLN 16 Cb 0.95 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3d10 h GLN 16 CO 0.07 0.51 -1.94 0.66 -0.67 0.00 0.00 178.83 177.46 3d10 n TYR 17 N -4.71 1.23 0.18 2.96 4.02 -1.01 -4.18 117.16 115.65 3d10 n TYR 17 Ca 0.09 0.29 0.02 0.00 -0.01 0.00 0.00 57.90 58.29 3d10 n TYR 17 Cb 0.16 -1.17 0.35 0.00 -0.02 0.00 0.00 39.34 38.65 3d10 n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3d10 h SER 18 N 0.06 0.03 -0.16 7.72 4.64 -0.60 -2.68 113.55 122.55 3d10 h SER 18 Ca -0.40 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3d10 h SER 18 Cb 2.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3d10 h SER 18 CO 0.09 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 3d10 n GLY 19 N -0.47 0.20 0.21 -0.77 0.00 -0.85 -4.06 105.19 99.45 3d10 n GLY 19 Ca -0.02 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 3d10 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d10 h ARG 20 N 0.97 0.68 -2.93 1.61 3.08 -1.65 -3.48 114.38 112.65 3d10 h ARG 20 Ca 0.00 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 3d10 h ARG 20 Cb 0.35 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 30.27 3d10 h ARG 20 CO 0.02 1.03 -0.06 -1.21 -1.07 0.00 0.00 179.97 178.68 3d10 s GLU 21 N -4.16 0.95 5.06 0.04 2.02 -1.26 -5.11 118.70 116.23 3d10 s GLU 21 Ca -0.12 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.56 3d10 s GLU 21 Cb 0.08 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.74 3d10 s GLU 21 CO 0.84 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.20 3d10 n GLY 22 N 0.51 2.07 3.66 -1.39 0.00 -1.26 -4.39 105.19 104.39 3d10 n GLY 22 Ca -0.19 -0.49 -0.53 0.00 0.00 0.00 0.00 46.02 44.82 3d10 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d10 n ASP 23 N -0.67 2.41 0.00 1.61 -0.08 -1.26 -4.82 116.55 113.74 3d10 n ASP 23 Ca 0.00 1.07 0.11 0.00 -1.51 0.00 0.00 54.79 54.47 3d10 n ASP 23 Cb 0.00 -1.24 0.67 0.00 2.34 0.00 0.00 41.12 42.89 3d10 n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3d10 n LYS 24 N 4.35 0.82 -0.11 -0.67 5.02 -1.26 -3.45 118.16 122.87 3d10 n LYS 24 Ca 0.22 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.55 3d10 n LYS 24 Cb 0.20 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 3d10 n LYS 24 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3d10 n HIS 25 N -0.93 0.00 -3.86 2.13 -0.00 -1.26 -3.10 115.22 108.20 3d10 n HIS 25 Ca 0.17 -0.54 -0.11 0.00 0.46 0.00 0.00 57.72 57.70 3d10 n HIS 25 Cb 0.08 -0.08 -0.11 0.00 -0.12 0.00 0.00 29.99 29.76 3d10 n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3d10 s LYS 26 N -1.40 0.40 -0.15 1.57 1.02 -1.22 -4.33 119.74 115.63 3d10 s LYS 26 Ca 0.12 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 55.60 3d10 s LYS 26 Cb 0.10 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 3d10 s LYS 26 CO 0.01 -0.09 0.81 -0.51 -0.92 0.00 0.00 175.35 174.65 3d10 s LEU 27 N -1.04 4.20 0.78 3.17 1.43 0.62 -4.63 118.68 123.22 3d10 s LEU 27 Ca -0.11 1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 54.11 3d10 s LEU 27 Cb -0.06 -3.21 0.13 0.00 0.03 0.00 0.00 46.19 43.08 3d10 s LEU 27 CO 0.01 -0.34 1.08 -1.59 0.23 0.00 0.00 176.35 175.74 3d10 s LYS 28 N 1.87 1.51 0.23 1.70 -2.85 -1.26 -1.06 119.74 119.87 3d10 s LYS 28 Ca 0.38 -0.76 -0.07 0.00 -1.00 0.00 0.00 55.97 54.52 3d10 s LYS 28 Cb -0.17 -2.17 0.35 0.00 -2.06 0.00 0.00 37.83 33.78 3d10 s LYS 28 CO 0.14 -1.66 1.75 0.87 0.10 0.00 0.00 175.35 176.56 3d10 h LYS 29 N -0.83 0.49 -0.46 1.78 1.57 -1.97 0.14 116.57 117.29 3d10 h LYS 29 Ca -0.40 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 3d10 h LYS 29 Cb 1.27 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3d10 h LYS 29 CO 0.43 0.32 -0.11 0.66 -0.57 0.00 0.00 179.45 180.19 3d10 h SER 30 N 0.50 0.82 -0.27 0.86 4.64 -1.99 0.81 113.55 118.92 3d10 h SER 30 Ca 0.36 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 3d10 h SER 30 Cb 0.45 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3d10 h SER 30 CO -0.32 0.95 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.15 3d10 h GLU 31 N 0.75 0.56 -0.65 4.77 5.08 -1.60 -2.13 114.58 121.35 3d10 h GLU 31 Ca 0.12 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3d10 h GLU 31 Cb 0.61 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 3d10 h GLU 31 CO 0.04 0.79 0.33 1.25 -1.00 0.00 0.00 179.01 180.42 3d10 h LEU 32 N 0.30 0.44 -0.06 1.33 5.85 -0.54 -1.01 115.31 121.63 3d10 h LEU 32 Ca 0.06 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3d10 h LEU 32 Cb 0.61 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3d10 h LEU 32 CO 0.04 0.27 0.04 0.50 -0.34 0.00 0.00 178.44 178.95 3d10 h LYS 33 N 0.59 0.08 -0.38 1.25 3.64 -0.60 -1.88 116.57 119.26 3d10 h LYS 33 Ca 0.31 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3d10 h LYS 33 Cb 0.28 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3d10 h LYS 33 CO -0.23 0.06 -0.23 0.93 -2.27 0.00 0.00 179.45 177.72 3d10 h GLU 34 N 0.07 0.76 -0.19 1.90 4.39 -1.33 0.01 114.58 120.19 3d10 h GLU 34 Ca 0.02 -0.31 0.05 0.00 0.34 0.00 0.00 59.36 59.47 3d10 h GLU 34 Cb 0.00 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 3d10 h GLU 34 CO -0.00 0.92 -0.22 1.25 -1.16 0.00 0.00 179.01 179.80 3d10 h LEU 35 N 0.66 -0.68 -0.41 1.33 6.46 -0.89 -0.39 115.31 121.39 3d10 h LEU 35 Ca 0.09 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.92 3d10 h LEU 35 Cb 0.73 0.32 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 3d10 h LEU 35 CO 0.06 -0.26 0.04 0.40 -0.62 0.00 0.00 178.44 178.05 3d10 h ILE 36 N -0.24 1.25 -0.39 4.05 2.04 -1.11 0.62 117.51 123.73 3d10 h ILE 36 Ca 0.12 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 3d10 h ILE 36 Cb 0.42 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3d10 h ILE 36 CO -0.33 0.32 -0.08 0.78 0.00 0.00 0.00 178.15 178.84 3d10 h ASN 37 N 0.55 0.64 0.19 1.72 2.35 -0.91 -0.86 115.58 119.27 3d10 h ASN 37 Ca 0.12 -0.17 -0.35 0.00 -0.55 0.00 0.00 56.30 55.36 3d10 h ASN 37 Cb 0.42 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 3d10 h ASN 37 CO 0.01 0.77 -2.10 0.59 -1.65 0.00 0.00 177.43 175.05 3d10 n ASN 38 N -4.19 1.04 -0.00 5.81 3.02 -0.17 -4.12 115.26 116.64 3d10 n ASN 38 Ca 0.01 0.16 0.06 0.00 -0.03 0.00 0.00 54.58 54.79 3d10 n ASN 38 Cb 0.33 0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.45 3d10 n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3d10 n GLU 39 N -3.08 1.37 -1.25 3.52 -0.58 0.21 -4.44 120.64 116.39 3d10 n GLU 39 Ca -0.30 -0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.29 3d10 n GLU 39 Cb 1.07 -1.23 0.12 0.00 -0.57 0.00 0.00 31.44 30.84 3d10 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3d10 n LEU 40 N -1.69 3.87 0.31 -4.62 4.77 -0.33 -4.84 117.00 114.47 3d10 n LEU 40 Ca -0.00 -4.28 0.20 0.00 -0.03 0.00 0.00 56.01 51.90 3d10 n LEU 40 Cb 0.29 -0.46 0.99 0.00 -2.33 0.00 0.00 43.42 41.91 3d10 n LEU 40 CO 0.27 1.71 1.10 0.77 -1.33 0.00 0.00 177.39 179.92 3d10 h SER 41 N 1.54 0.00 0.00 -1.43 4.64 -1.70 -0.67 113.55 115.92 3d10 h SER 41 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3d10 h SER 41 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3d10 h SER 41 CO 0.39 0.01 -1.46 1.41 -0.87 0.00 0.00 176.83 176.31 3d10 n HIS 42 N -3.14 0.00 -0.08 4.77 8.25 -1.26 -4.45 115.22 119.30 3d10 n HIS 42 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 3d10 n HIS 42 Cb 0.17 -0.25 -0.13 0.00 1.12 0.00 0.00 29.99 30.89 3d10 n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3d10 n PHE 43 N -1.86 0.00 -4.25 4.41 3.01 -0.87 -5.02 117.46 112.87 3d10 n PHE 43 Ca -0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 3d10 n PHE 43 Cb 0.42 -0.82 -0.12 0.00 -0.01 0.00 0.00 39.48 38.94 3d10 n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3d10 s LEU 44 N -5.21 2.25 0.34 4.37 1.43 -0.31 -5.05 118.68 116.49 3d10 s LEU 44 Ca -0.08 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 3d10 s LEU 44 Cb 0.05 -0.61 -0.11 0.00 0.03 0.00 0.00 46.19 45.56 3d10 s LEU 44 CO 0.70 -0.02 1.47 -0.70 0.23 0.00 0.00 176.35 178.03 3d10 s GLU 45 N -1.60 4.17 0.33 1.70 2.12 -1.26 -4.53 118.70 119.63 3d10 s GLU 45 Ca 0.00 2.48 -0.29 0.00 0.36 0.00 0.00 54.97 57.53 3d10 s GLU 45 Cb -0.09 -3.01 -0.12 0.00 0.26 0.00 0.00 34.13 31.16 3d10 s GLU 45 CO 0.02 -0.48 1.39 -1.91 -0.54 0.00 0.00 175.26 173.74 3d10 n GLU 46 N 1.01 2.31 -2.98 4.30 2.13 -1.26 -4.94 120.64 121.21 3d10 n GLU 46 Ca 0.03 0.81 -0.42 0.00 0.66 0.00 0.00 57.16 58.24 3d10 n GLU 46 Cb 0.39 -2.46 -0.05 0.00 0.27 0.00 0.00 31.44 29.59 3d10 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3d10 s ILE 47 N -0.83 4.83 0.00 6.31 1.01 -1.26 -4.90 121.20 126.36 3d10 s ILE 47 Ca 0.58 1.11 0.00 0.00 0.00 0.00 0.00 60.65 62.34 3d10 s ILE 47 Cb -0.55 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 37.81 3d10 s ILE 47 CO 0.59 -0.22 0.37 0.29 0.00 0.00 0.00 174.94 175.97 3d10 n LYS 48 N 6.12 0.63 -4.59 2.79 5.02 -1.26 -5.00 118.16 121.88 3d10 n LYS 48 Ca 0.03 -0.37 -0.22 0.00 -2.02 0.00 0.00 58.31 55.73 3d10 n LYS 48 Cb 0.48 -0.86 -0.15 0.00 -0.02 0.00 0.00 35.03 34.48 3d10 n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3d10 s GLU 49 N -0.20 1.08 0.40 1.97 0.41 -1.26 -5.03 118.70 116.08 3d10 s GLU 49 Ca 0.00 -0.46 0.09 0.00 -0.41 0.00 0.00 54.97 54.19 3d10 s GLU 49 Cb 0.00 -1.04 0.83 0.00 -1.78 0.00 0.00 34.13 32.15 3d10 s GLU 49 CO 0.00 0.27 1.98 0.37 -0.49 0.00 0.00 175.26 177.39 3d10 h GLN 50 N 5.88 0.35 0.00 1.61 5.75 -2.00 -2.42 115.11 124.28 3d10 h GLN 50 Ca -0.33 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.07 3d10 h GLN 50 Cb 1.17 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3d10 h GLN 50 CO 0.49 0.36 -0.18 1.05 -2.65 0.00 0.00 178.83 177.89 3d10 h GLU 51 N 0.35 0.00 0.04 1.69 4.11 -1.99 -1.42 114.58 117.36 3d10 h GLU 51 Ca 0.08 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.36 3d10 h GLU 51 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3d10 h GLU 51 CO 0.00 0.18 -0.63 0.28 0.07 0.00 0.00 179.01 178.91 3d10 h VAL 52 N 0.00 1.46 -0.56 -1.06 2.07 -1.87 -1.73 116.25 114.57 3d10 h VAL 52 Ca -0.00 -2.21 -0.11 0.00 0.82 0.00 0.00 66.70 65.20 3d10 h VAL 52 Cb 0.43 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3d10 h VAL 52 CO 0.02 0.63 -0.08 1.62 0.02 0.00 0.00 177.57 179.79 3d10 h VAL 53 N -0.22 1.27 -0.23 2.57 3.04 -1.34 -1.22 116.25 120.12 3d10 h VAL 53 Ca -0.09 -1.23 0.04 0.00 -1.01 0.00 0.00 66.70 64.41 3d10 h VAL 53 Cb 1.38 0.92 -0.04 0.00 -2.01 0.00 0.00 31.29 31.54 3d10 h VAL 53 CO 0.12 0.44 -0.02 0.44 -1.01 0.00 0.00 177.57 177.54 3d10 h ASP 54 N 0.92 -0.14 -0.69 3.17 3.32 -1.31 -0.46 116.42 121.22 3d10 h ASP 54 Ca 0.15 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3d10 h ASP 54 Cb 0.64 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 3d10 h ASP 54 CO 0.04 -0.04 0.24 0.07 -1.72 0.00 0.00 179.24 177.84 3d10 h LYS 55 N 0.04 1.05 -0.15 3.56 2.10 -1.08 -0.22 116.57 121.87 3d10 h LYS 55 Ca 0.11 -0.21 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 3d10 h LYS 55 Cb 0.16 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3d10 h LYS 55 CO -0.21 0.89 0.08 0.28 -2.00 0.00 0.00 179.45 178.49 3d10 h VAL 56 N 0.99 1.11 -0.53 0.07 2.07 -0.83 0.11 116.25 119.25 3d10 h VAL 56 Ca 0.23 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3d10 h VAL 56 Cb 0.26 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3d10 h VAL 56 CO -0.01 0.11 0.19 -0.03 0.02 0.00 0.00 177.57 177.85 3d10 h MET 57 N 0.13 0.81 -0.75 1.57 1.85 -0.92 -0.88 114.93 116.75 3d10 h MET 57 Ca 0.05 -0.16 0.06 0.00 -0.61 0.00 0.00 59.70 59.04 3d10 h MET 57 Cb 0.10 -0.12 -0.06 0.00 0.43 0.00 0.00 31.60 31.95 3d10 h MET 57 CO -0.01 0.72 0.45 1.49 -0.40 0.00 0.00 176.91 179.16 3d10 h GLU 58 N 0.72 0.80 -0.25 0.39 4.81 -0.80 0.56 114.58 120.81 3d10 h GLU 58 Ca 0.17 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3d10 h GLU 58 Cb 0.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3d10 h GLU 58 CO -0.01 0.53 0.11 1.15 -0.73 0.00 0.00 179.01 180.06 3d10 h THR 59 N 0.82 1.16 0.00 0.32 2.02 -0.32 -3.26 112.91 113.65 3d10 h THR 59 Ca 0.33 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3d10 h THR 59 Cb 0.16 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3d10 h THR 59 CO -0.17 0.16 -0.45 0.00 0.37 0.00 0.00 175.52 175.43 3d10 n LEU 60 N -4.80 0.45 -4.40 2.58 -0.00 -0.38 -4.70 117.00 105.76 3d10 n LEU 60 Ca -0.03 0.05 -0.43 0.00 -0.00 0.00 0.00 56.01 55.61 3d10 n LEU 60 Cb 0.12 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 3d10 n LEU 60 CO 0.35 0.11 2.12 -0.67 -0.00 0.00 0.00 177.39 179.31 3d10 n ASP 61 N -1.51 4.72 0.25 1.45 2.03 0.16 -4.80 116.55 118.84 3d10 n ASP 61 Ca 0.06 -2.90 0.14 0.00 0.52 0.00 0.00 54.79 52.60 3d10 n ASP 61 Cb 0.34 -1.73 0.57 0.00 -0.72 0.00 0.00 41.12 39.58 3d10 n ASP 61 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3d10 h ASN 62 N 7.23 0.00 0.00 1.67 4.21 -1.86 -3.05 115.58 123.78 3d10 h ASN 62 Ca 0.47 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.89 3d10 h ASN 62 Cb 0.82 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 3d10 h ASN 62 CO 1.55 0.09 -0.57 -2.24 -1.29 0.00 0.00 177.43 174.97 3d10 h ASP 63 N 0.00 0.00 0.00 5.81 -0.00 -1.93 -3.49 116.42 116.81 3d10 h ASP 63 Ca -0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 57.03 56.41 3d10 h ASP 63 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.96 3d10 h ASP 63 CO 0.01 1.14 0.00 0.61 -0.00 0.00 0.00 179.24 181.00 3d10 n GLY 64 N 1.55 1.93 0.65 7.15 0.00 -1.15 -5.02 105.19 110.30 3d10 n GLY 64 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 3d10 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d10 n ASP 65 N 0.00 1.94 0.00 1.61 5.75 -1.26 -4.87 116.55 119.72 3d10 n ASP 65 Ca 0.00 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3d10 n ASP 65 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 3d10 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d10 n GLY 66 N 1.16 0.72 3.48 6.12 0.00 -1.26 -5.01 105.19 110.41 3d10 n GLY 66 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3d10 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d10 s GLU 67 N -0.22 1.72 -0.25 1.61 2.02 -1.26 -4.63 118.70 117.69 3d10 s GLU 67 Ca 0.00 -1.97 -0.03 0.00 0.02 0.00 0.00 54.97 52.99 3d10 s GLU 67 Cb 0.00 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.33 3d10 s GLU 67 CO 0.00 -0.21 -0.03 0.00 0.02 0.00 0.00 175.26 175.04 3d10 n ASP 69 N 4.74 1.31 -0.11 0.00 5.68 -1.26 -0.27 116.55 126.64 3d10 n ASP 69 Ca -0.17 -2.08 -0.09 0.00 -0.50 0.00 0.00 54.79 51.96 3d10 n ASP 69 Cb 0.48 -0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 39.89 3d10 n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3d10 h PHE 70 N -0.51 0.45 -0.52 2.11 3.57 -2.00 -0.84 116.94 119.20 3d10 h PHE 70 Ca -0.30 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.31 3d10 h PHE 70 Cb 1.12 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 3d10 h PHE 70 CO 0.00 0.31 -0.02 0.37 -2.23 0.00 0.00 178.31 176.74 3d10 h GLN 71 N 0.46 0.09 -0.81 1.11 4.15 -1.98 -0.11 115.11 118.03 3d10 h GLN 71 Ca 0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 3d10 h GLN 71 Cb -0.02 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 3d10 h GLN 71 CO -0.03 0.06 0.48 0.93 -1.93 0.00 0.00 178.83 178.35 3d10 h GLU 72 N 0.10 1.11 -0.77 1.69 5.08 -1.85 -2.11 114.58 117.83 3d10 h GLU 72 Ca 0.26 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3d10 h GLU 72 Cb 0.41 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3d10 h GLU 72 CO -0.45 0.79 0.43 0.35 -1.00 0.00 0.00 179.01 179.13 3d10 h PHE 73 N 1.12 1.04 -0.89 4.33 3.57 -0.60 -1.28 116.94 124.23 3d10 h PHE 73 Ca 0.29 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3d10 h PHE 73 Cb -0.03 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 3d10 h PHE 73 CO -0.00 0.72 0.54 0.52 -2.23 0.00 0.00 178.31 177.86 3d10 h MET 74 N 1.06 1.20 -0.07 1.11 2.86 -0.64 -0.31 114.93 120.14 3d10 h MET 74 Ca 0.27 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 3d10 h MET 74 Cb 0.01 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 3d10 h MET 74 CO -0.05 0.84 -0.28 0.00 1.06 0.00 0.00 176.91 178.48 3d10 h ALA 75 N 1.29 1.41 -0.72 6.32 0.00 -1.03 -1.25 119.26 125.28 3d10 h ALA 75 Ca 0.32 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3d10 h ALA 75 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3d10 h ALA 75 CO -0.06 0.42 0.19 0.35 0.00 0.00 0.00 179.25 180.15 3d10 h PHE 76 N 0.11 1.21 -0.49 0.00 3.57 -0.28 -1.04 116.94 120.01 3d10 h PHE 76 Ca 0.02 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 3d10 h PHE 76 Cb 0.56 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3d10 h PHE 76 CO 0.00 0.97 0.01 0.28 -2.23 0.00 0.00 178.31 177.35 3d10 h VAL 77 N 1.09 1.26 -0.84 1.41 2.07 -0.84 -0.86 116.25 119.55 3d10 h VAL 77 Ca 0.23 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.71 3d10 h VAL 77 Cb 0.36 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3d10 h VAL 77 CO 0.00 0.37 0.56 0.00 0.02 0.00 0.00 177.57 178.51 3d10 h ALA 78 N 0.93 1.08 -0.34 1.67 0.00 -0.99 0.23 119.26 121.83 3d10 h ALA 78 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3d10 h ALA 78 Cb 0.50 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3d10 h ALA 78 CO 0.02 0.46 0.09 1.98 0.00 0.00 0.00 179.25 181.81 3d10 h MET 79 N 1.13 0.54 -0.29 0.00 1.85 -0.69 -0.82 114.93 116.65 3d10 h MET 79 Ca 0.31 -0.13 -0.06 0.00 -0.61 0.00 0.00 59.70 59.22 3d10 h MET 79 Cb -0.11 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 3d10 h MET 79 CO -0.08 0.59 -0.04 0.28 -0.40 0.00 0.00 176.91 177.26 3d10 h VAL 80 N 0.40 1.27 -0.83 -5.77 2.07 -0.94 -1.76 116.25 110.69 3d10 h VAL 80 Ca 0.11 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.64 3d10 h VAL 80 Cb 0.28 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3d10 h VAL 80 CO -0.00 0.33 0.53 0.74 0.02 0.00 0.00 177.57 179.19 3d10 h THR 81 N 0.31 1.11 -0.68 2.57 2.02 -0.50 -1.47 112.91 116.27 3d10 h THR 81 Ca 0.08 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 3d10 h THR 81 Cb 0.50 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3d10 h THR 81 CO 0.02 0.19 0.28 0.74 0.37 0.00 0.00 175.52 177.12 3d10 h THR 82 N 1.02 1.24 -0.28 3.16 2.02 -1.00 -1.12 112.91 117.94 3d10 h THR 82 Ca 0.34 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 3d10 h THR 82 Cb 0.05 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3d10 h THR 82 CO -0.13 0.29 -0.24 0.00 0.37 0.00 0.00 175.52 175.81 3d10 h ALA 83 N 1.13 1.05 -0.46 6.16 0.00 -0.65 -1.93 119.26 124.57 3d10 h ALA 83 Ca 0.23 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3d10 h ALA 83 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d10 h ALA 83 CO -0.02 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.84 3d10 h HIS 85 N 0.64 0.13 -0.30 0.00 6.17 -0.99 -2.47 115.15 118.33 3d10 h HIS 85 Ca 0.13 0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.14 3d10 h HIS 85 Cb 0.44 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.34 3d10 h HIS 85 CO 0.03 0.05 -0.19 0.93 0.71 0.00 0.00 177.93 179.46 3d10 h GLU 86 N 0.19 0.55 -1.00 5.26 5.08 -1.22 -3.04 114.58 120.40 3d10 h GLU 86 Ca 0.12 -0.19 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3d10 h GLU 86 Cb 0.10 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 3d10 h GLU 86 CO -0.14 0.72 0.64 0.35 -1.00 0.00 0.00 179.01 179.58 3d10 h PHE 87 N 0.49 1.18 -0.52 4.33 3.57 -0.46 -2.37 116.94 123.16 3d10 h PHE 87 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3d10 h PHE 87 Cb 0.62 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3d10 h PHE 87 CO 0.02 0.58 0.00 1.19 -2.23 0.00 0.00 178.31 177.87 3d10 n PHE 88 N -4.53 0.95 -4.40 0.41 3.72 -1.10 -4.86 117.46 107.65 3d10 n PHE 88 Ca 0.16 -0.41 -0.26 0.00 -0.05 0.00 0.00 57.45 56.89 3d10 n PHE 88 Cb 0.22 -0.11 -0.12 0.00 -0.94 0.00 0.00 39.48 38.53 3d10 n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3d10 s GLU 89 N -1.54 1.46 0.00 -1.08 2.12 -0.89 -5.12 118.70 113.65 3d10 s GLU 89 Ca 0.38 -1.49 0.00 0.00 0.36 0.00 0.00 54.97 54.22 3d10 s GLU 89 Cb 0.22 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.86 3d10 s GLU 89 CO 0.22 0.38 0.00 1.58 -0.54 0.00 0.00 175.26 176.90