#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7o h GLU 2 N 0.00 0.32 -0.24 -1.46 4.39 -2.06 -2.42 114.58 113.11 2k7o h GLU 2 Ca 0.00 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 2k7o h GLU 2 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2k7o h GLU 2 CO 0.00 0.38 -0.44 1.25 -1.16 0.00 0.00 179.01 179.04 2k7o h LEU 3 N 0.31 0.63 -0.79 1.33 5.85 -2.06 -2.93 115.31 117.65 2k7o h LEU 3 Ca 0.07 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2k7o h LEU 3 Cb 0.27 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2k7o h LEU 3 CO 0.01 0.99 0.34 -0.08 -0.34 0.00 0.00 178.44 179.36 2k7o h GLU 4 N 0.48 1.17 -0.65 1.25 4.81 -1.89 -2.33 114.58 117.43 2k7o h GLU 4 Ca 0.03 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 2k7o h GLU 4 Cb 0.96 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2k7o h GLU 4 CO 0.09 0.93 0.18 0.87 -0.73 0.00 0.00 179.01 180.34 2k7o h LYS 5 N 1.14 1.00 -0.40 1.92 1.57 -1.43 -0.65 116.57 119.73 2k7o h LYS 5 Ca 0.27 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2k7o h LYS 5 Cb 0.18 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2k7o h LYS 5 CO -0.03 0.87 0.26 0.00 -0.57 0.00 0.00 179.45 179.99 2k7o h ALA 6 N 1.23 0.50 -0.08 3.86 0.00 -1.25 0.22 119.26 123.74 2k7o h ALA 6 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k7o h ALA 6 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k7o h ALA 6 CO -0.00 -0.05 0.00 0.52 0.00 0.00 0.00 179.25 179.72 2k7o h MET 7 N 0.53 0.15 -0.75 0.00 2.86 -1.14 -2.89 114.93 113.67 2k7o h MET 7 Ca 0.15 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2k7o h MET 7 Cb -0.05 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2k7o h MET 7 CO -0.04 0.41 0.50 0.28 1.06 0.00 0.00 176.91 179.12 2k7o h VAL 8 N -0.13 1.18 -0.91 -2.22 2.07 -0.91 -1.79 116.25 113.55 2k7o h VAL 8 Ca 0.02 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.21 2k7o h VAL 8 Cb 0.34 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2k7o h VAL 8 CO 0.00 0.18 0.60 0.00 0.02 0.00 0.00 177.57 178.38 2k7o h ALA 9 N 1.53 1.15 -0.36 1.67 0.00 -0.40 -2.52 119.26 120.33 2k7o h ALA 9 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k7o h ALA 9 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 2k7o h ALA 9 CO -0.06 0.55 0.24 -0.07 0.00 0.00 0.00 179.25 179.90 2k7o h LEU 10 N 1.23 0.42 -0.02 0.00 3.38 -1.13 0.07 115.31 119.26 2k7o h LEU 10 Ca 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2k7o h LEU 10 Cb -0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2k7o h LEU 10 CO -0.07 0.31 0.01 0.40 0.09 0.00 0.00 178.44 179.18 2k7o h ILE 11 N 0.49 1.01 -1.01 1.22 2.04 -1.33 0.84 117.51 120.78 2k7o h ILE 11 Ca 0.13 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.00 2k7o h ILE 11 Cb -0.05 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2k7o h ILE 11 CO -0.03 0.01 0.67 0.44 0.00 0.00 0.00 178.15 179.23 2k7o h ASP 12 N 0.03 1.15 -0.37 1.72 3.32 -1.30 -1.03 116.42 119.94 2k7o h ASP 12 Ca 0.01 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 2k7o h ASP 12 Cb -0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2k7o h ASP 12 CO -0.00 0.82 -0.39 0.58 -1.72 0.00 0.00 179.24 178.53 2k7o h VAL 13 N 1.35 1.27 0.56 -1.35 2.07 -0.29 -2.81 116.25 117.06 2k7o h VAL 13 Ca 0.37 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2k7o h VAL 13 Cb -0.13 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2k7o h VAL 13 CO -0.09 0.52 -0.27 0.15 0.02 0.00 0.00 177.57 177.90 2k7o h PHE 14 N 0.72 -0.70 -1.01 1.57 3.04 0.14 -2.25 116.94 118.46 2k7o h PHE 14 Ca 0.06 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.00 2k7o h PHE 14 Cb 0.98 0.23 -0.05 0.00 2.56 0.00 0.00 35.95 39.68 2k7o h PHE 14 CO 0.07 -0.38 0.67 1.25 -2.02 0.00 0.00 178.31 177.89 2k7o h HIS 15 N -0.92 1.27 -0.53 0.41 2.76 -1.30 0.59 115.15 117.42 2k7o h HIS 15 Ca -0.08 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 2k7o h HIS 15 Cb 0.63 -0.43 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 2k7o h HIS 15 CO -0.01 0.80 -0.15 0.37 -1.30 0.00 0.00 177.93 177.64 2k7o h GLN 16 N 1.37 1.03 0.02 5.26 4.15 -1.51 0.19 115.11 125.62 2k7o h GLN 16 Ca 0.37 -0.40 -0.16 0.00 0.77 0.00 0.00 58.65 59.23 2k7o h GLN 16 Cb -0.16 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.49 2k7o h GLN 16 CO -0.08 1.09 -0.64 1.88 -1.93 0.00 0.00 178.83 179.15 2k7o h TYR 17 N 0.91 0.61 0.00 3.99 -1.99 -0.96 -3.23 116.97 116.30 2k7o h TYR 17 Ca 0.13 -0.34 -0.00 0.00 2.00 0.00 0.00 58.73 60.52 2k7o h TYR 17 Cb 0.72 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.39 2k7o h TYR 17 CO 0.05 1.17 -0.01 0.66 -0.00 0.00 0.00 178.16 180.04 2k7o h SER 18 N -0.13 0.00 -0.14 3.88 4.64 0.16 -2.94 113.55 119.01 2k7o h SER 18 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2k7o h SER 18 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2k7o h SER 18 CO 0.12 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 2k7o n GLY 19 N 0.36 1.66 0.11 -0.77 0.00 0.66 -3.92 105.19 103.30 2k7o n GLY 19 Ca 0.02 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2k7o n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k7o h ARG 20 N 0.98 0.28 -1.68 1.61 3.08 -1.62 -3.49 114.38 113.53 2k7o h ARG 20 Ca 0.00 -0.48 0.11 0.00 0.07 0.00 0.00 59.98 59.68 2k7o h ARG 20 Cb 0.80 0.18 -0.21 0.00 0.08 0.00 0.00 29.97 30.81 2k7o h ARG 20 CO 0.11 1.23 0.57 -2.00 -1.07 0.00 0.00 179.97 178.81 2k7o s GLU 21 N -2.42 0.60 0.00 0.04 -6.30 -1.25 -5.10 118.70 104.27 2k7o s GLU 21 Ca -0.15 0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.36 2k7o s GLU 21 Cb 0.01 0.28 0.00 0.00 0.00 0.00 0.00 34.13 34.42 2k7o s GLU 21 CO 0.82 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.30 2k7o n GLY 22 N 0.46 -1.95 7.00 -1.50 0.00 -1.26 -4.84 105.19 103.10 2k7o n GLY 22 Ca -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2k7o n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k7o n ASP 23 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.14 116.55 120.76 2k7o n ASP 23 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2k7o n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2k7o n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2k7o n LYS 24 N 13.60 0.18 -0.18 -1.24 5.02 -1.26 -4.85 118.16 129.43 2k7o n LYS 24 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 2k7o n LYS 24 Cb 0.00 -0.72 0.14 0.00 -0.02 0.00 0.00 35.03 34.43 2k7o n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2k7o n HIS 25 N -1.86 0.41 -3.81 2.13 8.25 -1.26 -4.10 115.22 114.98 2k7o n HIS 25 Ca 0.00 -0.60 -0.36 0.00 -0.26 0.00 0.00 57.72 56.49 2k7o n HIS 25 Cb 0.22 -0.09 -0.12 0.00 1.12 0.00 0.00 29.99 31.12 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2k7o s LYS 26 N -1.46 3.70 -0.23 -0.41 -0.14 -1.26 -4.23 119.74 115.70 2k7o s LYS 26 Ca 0.22 -0.46 -0.12 0.00 -1.36 0.00 0.00 55.97 54.25 2k7o s LYS 26 Cb 0.14 -3.31 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 2k7o s LYS 26 CO 0.10 -0.12 0.24 -0.51 -0.76 0.00 0.00 175.35 174.29 2k7o s LEU 27 N 1.44 4.12 0.47 3.17 1.43 -1.20 -4.75 118.68 123.35 2k7o s LEU 27 Ca 0.06 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2k7o s LEU 27 Cb -0.15 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 2k7o s LEU 27 CO 0.04 0.01 0.72 -0.75 0.23 0.00 0.00 176.35 176.59 2k7o s LYS 28 N 1.21 3.23 0.30 1.70 2.20 -1.26 -2.76 119.74 124.36 2k7o s LYS 28 Ca 0.11 -0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.54 2k7o s LYS 28 Cb -0.14 -2.48 0.57 0.00 -1.51 0.00 0.00 37.83 34.27 2k7o s LYS 28 CO 0.06 -0.26 1.88 1.57 -0.36 0.00 0.00 175.35 178.24 2k7o h LYS 29 N 0.31 0.96 -0.65 4.03 2.10 -1.98 0.13 116.57 121.47 2k7o h LYS 29 Ca -0.47 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2k7o h LYS 29 Cb 1.24 -0.22 -0.03 0.00 -0.90 0.00 0.00 32.23 32.32 2k7o h LYS 29 CO 0.60 0.63 0.42 0.66 -2.00 0.00 0.00 179.45 179.76 2k7o h SER 30 N 0.99 0.75 0.27 7.07 4.64 -2.00 -0.56 113.55 124.70 2k7o h SER 30 Ca 0.44 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.65 2k7o h SER 30 Cb 0.37 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2k7o h SER 30 CO -0.20 0.55 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.62 2k7o h GLU 31 N 0.88 0.13 -0.36 4.77 4.39 -1.13 -2.74 114.58 120.52 2k7o h GLU 31 Ca 0.24 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 2k7o h GLU 31 Cb -0.09 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2k7o h GLU 31 CO -0.05 0.47 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.79 2k7o h LEU 32 N 0.11 0.97 -0.51 1.33 3.38 -0.34 -1.77 115.31 118.48 2k7o h LEU 32 Ca 0.01 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2k7o h LEU 32 Cb 0.69 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2k7o h LEU 32 CO 0.05 1.25 0.23 0.50 0.09 0.00 0.00 178.44 180.56 2k7o h LYS 33 N 0.73 0.74 -0.21 1.13 3.64 -1.07 -0.10 116.57 121.43 2k7o h LYS 33 Ca 0.05 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 2k7o h LYS 33 Cb 1.01 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2k7o h LYS 33 CO 0.10 0.63 -0.23 1.49 -2.27 0.00 0.00 179.45 179.17 2k7o h GLU 34 N 0.68 0.52 -0.03 1.90 4.81 -1.47 -1.62 114.58 119.36 2k7o h GLU 34 Ca 0.17 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2k7o h GLU 34 Cb 0.14 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2k7o h GLU 34 CO -0.02 0.87 0.02 1.25 -0.73 0.00 0.00 179.01 180.40 2k7o h LEU 35 N 0.19 0.04 -0.11 1.64 5.85 -1.21 -0.41 115.31 121.31 2k7o h LEU 35 Ca 0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k7o h LEU 35 Cb 0.78 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2k7o h LEU 35 CO 0.06 0.03 0.07 0.40 -0.34 0.00 0.00 178.44 178.66 2k7o h ILE 36 N 0.04 1.03 -0.97 4.05 2.04 -1.02 0.49 117.51 123.17 2k7o h ILE 36 Ca 0.01 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2k7o h ILE 36 Cb -0.00 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2k7o h ILE 36 CO -0.00 0.03 0.60 0.78 0.00 0.00 0.00 178.15 179.56 2k7o h ASN 37 N 0.15 1.15 0.02 1.72 -0.26 -1.10 0.22 115.58 117.47 2k7o h ASN 37 Ca 0.04 -0.06 -0.21 0.00 -0.56 0.00 0.00 56.30 55.51 2k7o h ASN 37 Cb -0.01 -0.29 0.02 0.00 -1.06 0.00 0.00 38.32 36.97 2k7o h ASN 37 CO -0.01 0.87 -0.83 0.78 -1.06 0.00 0.00 177.43 177.18 2k7o h ASN 38 N 1.33 0.70 0.00 5.81 2.35 -0.77 -3.39 115.58 121.61 2k7o h ASN 38 Ca 0.35 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2k7o h ASN 38 Cb -0.09 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.07 2k7o h ASN 38 CO -0.07 1.38 0.00 -0.62 -1.65 0.00 0.00 177.43 176.47 2k7o n GLU 39 N -4.05 0.00 -3.05 0.81 1.02 0.17 -4.80 120.64 110.74 2k7o n GLU 39 Ca -0.11 0.14 -0.44 0.00 -0.02 0.00 0.00 57.16 56.73 2k7o n GLU 39 Cb 0.78 -0.53 -0.05 0.00 -0.02 0.00 0.00 31.44 31.62 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k7o s LEU 40 N -3.09 4.91 0.00 -4.62 1.43 0.77 -4.66 118.68 113.42 2k7o s LEU 40 Ca 0.00 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 2k7o s LEU 40 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2k7o s LEU 40 CO 0.00 -1.10 0.00 -1.54 0.23 0.00 0.00 176.35 173.94 2k7o n SER 41 N 6.64 0.00 -0.17 2.29 3.41 -1.22 -4.03 113.62 120.54 2k7o n SER 41 Ca -0.06 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.69 2k7o n SER 41 Cb 0.45 0.01 0.74 0.00 -0.26 0.00 0.00 64.21 65.15 2k7o n SER 41 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2k7o n HIS 42 N -2.46 0.01 0.10 7.33 -0.00 -1.26 -3.24 115.22 115.71 2k7o n HIS 42 Ca 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 57.72 57.74 2k7o n HIS 42 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2k7o n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2k7o n PHE 43 N -0.56 0.00 -4.16 1.57 3.01 -1.26 -5.02 117.46 111.03 2k7o n PHE 43 Ca 0.21 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.53 2k7o n PHE 43 Cb 0.18 -0.09 -0.11 0.00 -0.01 0.00 0.00 39.48 39.46 2k7o n PHE 43 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2k7o s LEU 44 N -2.99 2.39 0.39 4.37 2.96 -1.20 -5.12 118.68 119.49 2k7o s LEU 44 Ca -0.01 -0.79 -0.27 0.00 -0.22 0.00 0.00 54.13 52.84 2k7o s LEU 44 Cb 0.04 -0.27 -0.10 0.00 0.50 0.00 0.00 46.19 46.36 2k7o s LEU 44 CO 0.25 -0.27 1.49 -1.61 -1.32 0.00 0.00 176.35 174.89 2k7o s GLU 45 N -2.72 4.01 0.56 1.98 0.41 -1.26 -4.53 118.70 117.15 2k7o s GLU 45 Ca 0.04 2.57 -0.20 0.00 -0.41 0.00 0.00 54.97 56.97 2k7o s GLU 45 Cb -0.03 -2.90 -0.04 0.00 -1.78 0.00 0.00 34.13 29.38 2k7o s GLU 45 CO -0.00 -0.61 1.23 -1.21 -0.49 0.00 0.00 175.26 174.17 2k7o s GLU 46 N -2.19 3.13 0.04 1.61 2.02 -1.26 -4.94 118.70 117.12 2k7o s GLU 46 Ca 0.55 1.89 -0.31 0.00 0.02 0.00 0.00 54.97 57.12 2k7o s GLU 46 Cb -0.46 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 31.65 2k7o s GLU 46 CO 0.63 -1.10 1.31 0.42 0.02 0.00 0.00 175.26 176.53 2k7o s ILE 47 N -1.53 3.78 0.00 -1.63 -1.09 -1.26 -4.95 121.20 114.52 2k7o s ILE 47 Ca 0.74 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 2k7o s ILE 47 Cb -0.32 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2k7o s ILE 47 CO 0.36 0.06 0.00 0.29 -1.23 0.00 0.00 174.94 174.41 2k7o n LYS 48 N 4.51 0.00 -4.17 2.79 5.02 -1.26 -5.02 118.16 120.03 2k7o n LYS 48 Ca 0.11 0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 2k7o n LYS 48 Cb 0.45 -0.52 -0.08 0.00 -0.02 0.00 0.00 35.03 34.85 2k7o n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k7o s GLU 49 N -0.78 2.46 0.25 1.97 2.02 -1.26 -5.02 118.70 118.34 2k7o s GLU 49 Ca 0.00 -0.99 -0.06 0.00 0.02 0.00 0.00 54.97 53.94 2k7o s GLU 49 Cb 0.00 -2.43 0.26 0.00 0.10 0.00 0.00 34.13 32.06 2k7o s GLU 49 CO 0.00 0.49 1.93 0.37 0.02 0.00 0.00 175.26 178.07 2k7o h GLN 50 N 3.02 1.32 -1.10 1.61 4.15 -2.00 -1.94 115.11 120.18 2k7o h GLN 50 Ca -0.47 -0.08 0.31 0.00 0.77 0.00 0.00 58.65 59.17 2k7o h GLN 50 Cb 1.19 -0.30 -0.10 0.00 0.21 0.00 0.00 27.48 28.47 2k7o h GLN 50 CO 0.58 0.88 0.70 1.49 -1.93 0.00 0.00 178.83 180.55 2k7o h GLU 51 N 1.36 0.32 -0.23 1.69 4.81 -1.99 1.63 114.58 122.16 2k7o h GLU 51 Ca 0.37 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 2k7o h GLU 51 Cb -0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2k7o h GLU 51 CO -0.08 0.21 -0.28 0.28 -0.73 0.00 0.00 179.01 178.41 2k7o h VAL 52 N 0.32 1.27 -0.27 0.32 2.07 -1.76 -2.43 116.25 115.77 2k7o h VAL 52 Ca 0.65 -1.30 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 2k7o h VAL 52 Cb 1.74 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2k7o h VAL 52 CO -0.34 0.41 -0.42 0.58 0.02 0.00 0.00 177.57 177.82 2k7o h VAL 53 N 0.39 1.30 -0.98 2.57 2.07 0.22 -2.73 116.25 119.10 2k7o h VAL 53 Ca 0.05 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.97 2k7o h VAL 53 Cb 0.69 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 2k7o h VAL 53 CO 0.05 0.52 0.65 0.44 0.02 0.00 0.00 177.57 179.24 2k7o h ASP 54 N 0.51 1.13 -0.06 0.57 3.32 -0.65 0.48 116.42 121.73 2k7o h ASP 54 Ca 0.02 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k7o h ASP 54 Cb 1.02 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2k7o h ASP 54 CO 0.10 0.82 0.03 0.50 -1.72 0.00 0.00 179.24 178.97 2k7o h LYS 55 N 1.33 0.08 -0.84 3.56 3.64 -1.39 0.25 116.57 123.20 2k7o h LYS 55 Ca 0.36 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 2k7o h LYS 55 Cb -0.15 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 2k7o h LYS 55 CO -0.08 0.11 0.48 0.28 -2.27 0.00 0.00 179.45 177.98 2k7o h VAL 56 N 0.02 1.24 -0.38 2.00 2.07 -1.06 0.12 116.25 120.26 2k7o h VAL 56 Ca 0.02 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 2k7o h VAL 56 Cb 0.06 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2k7o h VAL 56 CO -0.00 0.26 0.16 -0.03 0.02 0.00 0.00 177.57 177.98 2k7o h MET 57 N 1.17 0.56 -0.07 1.57 1.85 0.45 1.41 114.93 121.87 2k7o h MET 57 Ca 0.30 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 59.29 2k7o h MET 57 Cb -0.00 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 31.93 2k7o h MET 57 CO -0.05 0.53 0.05 1.49 -0.40 0.00 0.00 176.91 178.52 2k7o h GLU 58 N 0.47 0.10 -0.44 0.39 4.81 0.04 1.22 114.58 121.16 2k7o h GLU 58 Ca 0.13 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 2k7o h GLU 58 Cb 0.17 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2k7o h GLU 58 CO -0.01 0.07 -0.30 1.15 -0.73 0.00 0.00 179.01 179.19 2k7o h THR 59 N 0.09 1.27 -0.39 0.32 2.02 -0.77 -3.11 112.91 112.35 2k7o h THR 59 Ca 0.03 -1.47 -0.16 0.00 0.77 0.00 0.00 66.41 65.58 2k7o h THR 59 Cb -0.00 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2k7o h THR 59 CO -0.01 0.50 -0.39 0.25 0.37 0.00 0.00 175.52 176.25 2k7o h LEU 60 N 0.82 1.01 -8.62 2.58 5.85 0.23 -3.40 115.31 113.78 2k7o h LEU 60 Ca 0.09 -0.47 -0.51 0.00 0.84 0.00 0.00 57.88 57.83 2k7o h LEU 60 Cb 0.89 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2k7o h LEU 60 CO 0.08 1.27 1.42 -0.62 -0.34 0.00 0.00 178.44 180.25 2k7o s ASP 61 N -6.84 5.18 0.20 1.25 -1.08 0.42 -4.83 116.67 110.97 2k7o s ASP 61 Ca -0.11 0.80 -0.09 0.00 -0.52 0.00 0.00 52.55 52.63 2k7o s ASP 61 Cb 0.11 -2.52 0.14 0.00 -1.46 0.00 0.00 42.92 39.19 2k7o s ASP 61 CO 0.88 -2.36 1.78 -0.33 0.52 0.00 0.00 175.17 175.66 2k7o h GLU 62 N 15.77 1.11 -0.02 4.34 5.08 -1.83 -2.91 114.58 136.13 2k7o h GLU 62 Ca -0.28 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2k7o h GLU 62 Cb 1.19 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2k7o h GLU 62 CO 1.15 0.89 -0.25 -0.40 -1.00 0.00 0.00 179.01 179.41 2k7o n ASP 63 N -4.35 2.23 -1.54 1.42 5.75 -1.26 -4.95 116.55 113.85 2k7o n ASP 63 Ca 0.06 -1.62 -0.14 0.00 -0.01 0.00 0.00 54.79 53.08 2k7o n ASP 63 Cb 0.16 0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 2k7o n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k7o n GLY 64 N 1.37 0.14 0.00 6.12 0.00 -1.10 -4.85 105.19 106.86 2k7o n GLY 64 Ca 0.12 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.95 2k7o n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k7o n ASP 65 N -0.68 0.00 -0.65 1.61 5.75 -1.26 -4.85 116.55 116.47 2k7o n ASP 65 Ca -0.17 -0.04 -0.07 0.00 -0.01 0.00 0.00 54.79 54.51 2k7o n ASP 65 Cb 0.60 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 2k7o n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k7o n GLY 66 N 0.43 0.60 3.39 6.12 0.00 -1.26 -5.00 105.19 109.48 2k7o n GLY 66 Ca 0.10 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 2k7o n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k7o s GLU 67 N -3.27 1.16 -0.36 1.61 -6.30 -1.26 -4.83 118.70 105.45 2k7o s GLU 67 Ca 0.00 -0.45 -0.02 0.00 -2.50 0.00 0.00 54.97 52.00 2k7o s GLU 67 Cb 0.00 0.53 0.08 0.00 0.00 0.00 0.00 34.13 34.74 2k7o s GLU 67 CO 0.00 -0.47 0.11 0.00 0.02 0.00 0.00 175.26 174.92 2k7o s ASP 69 N 1.52 1.78 0.15 0.00 -1.08 -1.26 -3.26 116.67 114.51 2k7o s ASP 69 Ca 0.03 0.70 -0.16 0.00 -0.52 0.00 0.00 52.55 52.60 2k7o s ASP 69 Cb -0.21 -1.03 0.01 0.00 -1.46 0.00 0.00 42.92 40.23 2k7o s ASP 69 CO -0.03 -3.60 1.78 0.15 0.52 0.00 0.00 175.17 173.99 2k7o h PHE 70 N -2.22 0.55 0.52 -5.34 3.04 -1.99 0.26 116.94 111.76 2k7o h PHE 70 Ca -0.47 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.45 2k7o h PHE 70 Cb 1.30 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.63 2k7o h PHE 70 CO -1.32 0.39 -0.25 1.96 -2.02 0.00 0.00 178.31 177.07 2k7o h GLN 71 N 0.54 -0.68 -0.80 1.11 1.08 -1.96 -2.26 115.11 112.14 2k7o h GLN 71 Ca 0.15 0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2k7o h GLN 71 Cb 0.01 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 2k7o h GLN 71 CO -0.03 -0.45 0.53 0.93 -0.95 0.00 0.00 178.83 178.86 2k7o h GLU 72 N -0.71 1.05 -1.03 1.46 5.08 -1.89 -1.13 114.58 117.41 2k7o h GLU 72 Ca -0.07 -0.06 0.29 0.00 -1.00 0.00 0.00 59.36 58.52 2k7o h GLU 72 Cb 0.54 -0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.43 2k7o h GLU 72 CO 0.12 0.70 0.62 0.35 -1.00 0.00 0.00 179.01 179.79 2k7o h PHE 73 N 1.09 0.89 -0.12 4.33 3.57 -0.09 2.20 116.94 128.80 2k7o h PHE 73 Ca 0.30 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 2k7o h PHE 73 Cb -0.12 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 2k7o h PHE 73 CO -0.02 -0.04 -0.32 1.98 -2.23 0.00 0.00 178.31 177.68 2k7o h MET 74 N 0.42 0.24 0.45 1.11 4.05 -0.64 -1.84 114.93 118.73 2k7o h MET 74 Ca 0.68 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.99 2k7o h MET 74 Cb 1.54 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 2k7o h MET 74 CO -0.48 0.54 -0.22 0.00 0.23 0.00 0.00 176.91 176.98 2k7o h ALA 75 N 1.46 -0.61 -1.00 0.39 0.00 0.38 0.92 119.26 120.79 2k7o h ALA 75 Ca 0.03 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.94 2k7o h ALA 75 Cb 0.68 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 2k7o h ALA 75 CO 0.05 -0.79 0.62 0.35 0.00 0.00 0.00 179.25 179.48 2k7o h PHE 76 N -0.72 1.10 -0.87 0.00 3.57 -1.06 1.31 116.94 120.27 2k7o h PHE 76 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k7o h PHE 76 Cb 0.52 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2k7o h PHE 76 CO -0.02 0.31 0.54 0.28 -2.23 0.00 0.00 178.31 177.19 2k7o h VAL 77 N 0.84 1.24 -0.05 1.41 2.07 -0.76 -1.95 116.25 119.05 2k7o h VAL 77 Ca 0.55 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2k7o h VAL 77 Cb 0.76 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2k7o h VAL 77 CO -0.34 0.24 -0.12 0.77 0.02 0.00 0.00 177.57 178.14 2k7o h SER 78 N 1.19 0.19 -1.01 0.57 4.64 0.34 -2.86 113.55 116.62 2k7o h SER 78 Ca 0.31 -0.58 0.20 0.00 -0.47 0.00 0.00 61.79 61.25 2k7o h SER 78 Cb -0.07 -0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 61.85 2k7o h SER 78 CO -0.06 0.74 0.61 -0.03 -0.87 0.00 0.00 176.83 177.22 2k7o h MET 79 N -0.35 0.71 0.00 4.77 -1.53 0.14 1.88 114.93 120.56 2k7o h MET 79 Ca -0.00 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.15 2k7o h MET 79 Cb 0.71 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.59 2k7o h MET 79 CO 0.03 0.47 -0.31 0.28 0.14 0.00 0.00 176.91 177.52 2k7o h VAL 80 N 0.74 1.00 0.06 -5.77 2.07 -1.35 0.15 116.25 113.16 2k7o h VAL 80 Ca 0.59 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2k7o h VAL 80 Cb 0.95 1.65 0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2k7o h VAL 80 CO -0.40 0.30 -0.38 0.74 0.02 0.00 0.00 177.57 177.85 2k7o h THR 81 N 0.00 1.65 0.00 2.57 2.02 0.26 -3.21 112.91 116.20 2k7o h THR 81 Ca -0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.79 2k7o h THR 81 Cb 0.63 3.24 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 2k7o h THR 81 CO 0.04 0.65 0.00 0.35 0.37 0.00 0.00 175.52 176.93 2k7o n THR 82 N -4.39 0.86 -0.03 3.16 -2.24 0.35 -2.72 114.28 109.28 2k7o n THR 82 Ca -0.12 0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 2k7o n THR 82 Cb 0.63 -1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 67.62 2k7o n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k7o h ALA 83 N 2.31 0.06 -2.75 6.98 0.00 -0.71 -3.44 119.26 121.70 2k7o h ALA 83 Ca 0.00 -0.45 -0.49 0.00 0.00 0.00 0.00 54.91 53.96 2k7o h ALA 83 Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k7o h ALA 83 CO 0.00 0.10 0.40 0.00 0.00 0.00 0.00 179.25 179.75 2k7o s HIS 85 N -1.20 3.44 0.39 0.00 3.76 -1.26 -4.90 115.29 115.51 2k7o s HIS 85 Ca 0.43 1.33 0.12 0.00 -0.15 0.00 0.00 55.06 56.79 2k7o s HIS 85 Cb -0.28 -3.42 0.81 0.00 1.11 0.00 0.00 32.58 30.80 2k7o s HIS 85 CO 0.35 -1.27 1.90 1.05 -0.85 0.00 0.00 174.74 175.92 2k7o h GLU 86 N 6.35 0.10 0.00 1.40 4.11 -1.94 -0.44 114.58 124.16 2k7o h GLU 86 Ca -0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k7o h GLU 86 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k7o h GLU 86 CO 0.79 0.33 0.00 0.34 0.07 0.00 0.00 179.01 180.55 2k7o n PHE 87 N -4.22 0.00 -2.57 2.06 -0.00 -1.26 -4.80 117.46 106.67 2k7o n PHE 87 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.26 2k7o n PHE 87 Cb 0.31 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.48 39.67 2k7o n PHE 87 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2k7o n PHE 88 N -1.12 -1.35 -1.78 -5.13 7.35 -0.17 -4.87 117.46 110.38 2k7o n PHE 88 Ca 0.10 0.10 -0.41 0.00 -0.76 0.00 0.00 57.45 56.48 2k7o n PHE 88 Cb 0.08 -3.48 -0.00 0.00 0.35 0.00 0.00 39.48 36.44 2k7o n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2k7o s GLU 89 N -5.19 4.09 -0.23 -4.13 2.12 -1.26 -4.97 118.70 109.13 2k7o s GLU 89 Ca 0.07 2.60 -0.12 0.00 0.36 0.00 0.00 54.97 57.87 2k7o s GLU 89 Cb -0.03 -2.96 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 2k7o s GLU 89 CO 0.08 -0.56 0.24 -1.01 -0.54 0.00 0.00 175.26 173.47 2k7o s HIS 90 N -1.12 3.32 -2.46 5.30 3.76 -1.26 -4.93 115.29 117.91 2k7o s HIS 90 Ca 0.53 0.33 0.28 0.00 -0.15 0.00 0.00 55.06 56.06 2k7o s HIS 90 Cb -0.47 -2.36 1.13 0.00 1.11 0.00 0.00 32.58 31.99 2k7o s HIS 90 CO 0.64 0.02 1.79 0.39 -0.85 0.00 0.00 174.74 176.73