#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 0.89 -0.26 4.33 5.08 -2.07 -1.93 114.58 120.63 2k7o h GLU 2 Ca 0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2k7o h GLU 2 Cb 0.00 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2k7o h GLU 2 CO 0.00 0.59 -0.35 1.25 -1.00 0.00 0.00 179.01 179.50 2k7o h LEU 3 N 0.92 0.60 -0.93 1.33 5.85 -2.07 -2.89 115.31 118.12 2k7o h LEU 3 Ca 0.25 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k7o h LEU 3 Cb -0.10 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2k7o h LEU 3 CO -0.05 0.90 0.54 -0.08 -0.34 0.00 0.00 178.44 179.40 2k7o h GLU 4 N 0.48 1.28 -0.54 1.25 4.57 -1.82 -1.76 114.58 118.04 2k7o h GLU 4 Ca 0.05 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2k7o h GLU 4 Cb 0.84 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 2k7o h GLU 4 CO 0.07 0.91 0.36 0.87 -1.18 0.00 0.00 179.01 180.04 2k7o h LYS 5 N 1.29 0.72 -0.01 1.92 1.79 -1.27 -1.16 116.57 119.84 2k7o h LYS 5 Ca 0.33 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2k7o h LYS 5 Cb -0.02 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.47 2k7o h LYS 5 CO -0.06 0.47 0.01 0.00 -1.08 0.00 0.00 179.45 178.79 2k7o h ALA 6 N 1.66 0.01 -0.45 3.86 0.00 -1.24 -0.17 119.26 122.93 2k7o h ALA 6 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2k7o h ALA 6 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k7o h ALA 6 CO -0.04 -0.49 -0.14 0.52 0.00 0.00 0.00 179.25 179.10 2k7o h MET 7 N 0.01 0.89 -1.01 0.00 2.86 -1.39 -3.02 114.93 113.28 2k7o h MET 7 Ca 0.00 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.30 2k7o h MET 7 Cb 0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 2k7o h MET 7 CO -0.00 1.00 0.67 0.28 1.06 0.00 0.00 176.91 179.92 2k7o h VAL 8 N 0.73 1.26 -1.00 -2.22 2.07 -0.99 -2.08 116.25 114.03 2k7o h VAL 8 Ca 0.11 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2k7o h VAL 8 Cb 0.69 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2k7o h VAL 8 CO 0.05 0.25 0.66 0.00 0.02 0.00 0.00 177.57 178.55 2k7o h ALA 9 N 1.37 1.30 -0.39 1.67 0.00 -0.90 -1.99 119.26 120.32 2k7o h ALA 9 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k7o h ALA 9 Cb -0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.23 2k7o h ALA 9 CO -0.08 0.61 0.26 -0.07 0.00 0.00 0.00 179.25 179.96 2k7o h LEU 10 N 1.31 0.45 0.14 0.00 4.07 -1.33 0.60 115.31 120.55 2k7o h LEU 10 Ca 0.38 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.32 2k7o h LEU 10 Cb -0.08 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.55 2k7o h LEU 10 CO -0.10 0.33 -0.07 0.40 -1.08 0.00 0.00 178.44 177.92 2k7o h ILE 11 N 0.52 0.86 -0.57 1.22 2.04 -1.24 1.65 117.51 122.00 2k7o h ILE 11 Ca 0.14 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 2k7o h ILE 11 Cb -0.06 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2k7o h ILE 11 CO -0.03 0.00 0.11 0.44 0.00 0.00 0.00 178.15 178.67 2k7o h ASP 12 N -0.19 0.89 -0.23 1.72 3.32 -1.17 -0.63 116.42 120.13 2k7o h ASP 12 Ca -0.02 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 2k7o h ASP 12 Cb 0.15 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2k7o h ASP 12 CO 0.03 0.91 -0.25 0.58 -1.72 0.00 0.00 179.24 178.79 2k7o h VAL 13 N 0.83 1.32 0.44 -1.35 2.07 0.48 -2.76 116.25 117.28 2k7o h VAL 13 Ca 0.18 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 2k7o h VAL 13 Cb 0.39 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2k7o h VAL 13 CO 0.01 0.44 -0.21 0.15 0.02 0.00 0.00 177.57 177.98 2k7o h PHE 14 N 0.28 -0.54 -0.86 1.57 3.04 0.26 -1.88 116.94 118.81 2k7o h PHE 14 Ca 0.04 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2k7o h PHE 14 Cb 0.81 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.46 2k7o h PHE 14 CO 0.08 -0.33 0.57 1.25 -2.02 0.00 0.00 178.31 177.86 2k7o h HIS 15 N -0.60 1.08 -0.37 0.41 2.76 -1.17 0.74 115.15 118.00 2k7o h HIS 15 Ca -0.06 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.98 2k7o h HIS 15 Cb 0.46 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 2k7o h HIS 15 CO -0.04 0.68 -0.38 1.96 -1.30 0.00 0.00 177.93 178.85 2k7o h GLN 16 N 1.17 0.91 -0.11 5.26 7.50 -1.45 0.58 115.11 128.97 2k7o h GLN 16 Ca 0.32 -0.48 -0.12 0.00 0.50 0.00 0.00 58.65 58.86 2k7o h GLN 16 Cb -0.13 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.42 2k7o h GLN 16 CO -0.07 1.14 -0.41 1.88 -1.50 0.00 0.00 178.83 179.87 2k7o h TYR 17 N 0.73 0.62 0.00 2.96 -1.99 -1.02 -3.17 116.97 115.10 2k7o h TYR 17 Ca 0.06 -0.26 -0.03 0.00 2.00 0.00 0.00 58.73 60.50 2k7o h TYR 17 Cb 0.97 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.60 2k7o h TYR 17 CO 0.07 1.01 -0.16 1.03 -0.00 0.00 0.00 178.16 180.11 2k7o h SER 18 N 0.06 0.00 -0.27 3.88 0.87 0.49 -2.83 113.55 115.76 2k7o h SER 18 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2k7o h SER 18 Cb 1.04 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2k7o h SER 18 CO 0.09 0.16 0.01 0.61 -0.53 0.00 0.00 176.83 177.16 2k7o n GLY 19 N 0.15 2.21 0.26 5.77 0.00 0.19 -4.13 105.19 109.64 2k7o n GLY 19 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 2k7o n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k7o h ARG 20 N 1.78 0.88 -2.44 1.61 2.43 -1.55 -3.47 114.38 113.62 2k7o h ARG 20 Ca 0.01 -0.50 0.09 0.00 -0.81 0.00 0.00 59.98 58.76 2k7o h ARG 20 Cb 1.20 0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.65 2k7o h ARG 20 CO 0.24 1.15 0.43 -2.00 -1.51 0.00 0.00 179.97 178.28 2k7o s GLU 21 N -4.27 0.95 0.00 0.20 2.12 -1.26 -5.16 118.70 111.29 2k7o s GLU 21 Ca -0.11 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2k7o s GLU 21 Cb 0.11 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.92 2k7o s GLU 21 CO 0.88 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 2k7o n GLY 22 N -0.29 -0.00 0.00 -1.50 0.00 -1.26 -4.85 105.19 97.28 2k7o n GLY 22 Ca -0.10 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.57 0.00 -3.57 1.61 8.00 -1.26 -4.97 116.55 115.79 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 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2k7o n ASP 23 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2k7o s LYS 24 N 0.00 0.23 0.00 -1.24 2.20 -1.26 -4.94 119.74 114.73 2k7o s LYS 24 Ca 0.00 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 2k7o s LYS 24 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2k7o s LYS 24 CO 0.00 -0.06 0.00 1.58 -0.36 0.00 0.00 175.35 176.51 2k7o n HIS 25 N 3.79 0.00 -3.85 4.03 -0.00 -1.26 -5.02 115.22 112.91 2k7o n HIS 25 Ca -0.16 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.67 2k7o n HIS 25 Cb 0.56 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.30 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2k7o s LYS 26 N -0.22 3.42 -0.26 1.57 1.02 -1.26 -4.52 119.74 119.49 2k7o s LYS 26 Ca 0.00 -0.61 -0.14 0.00 0.02 0.00 0.00 55.97 55.24 2k7o s LYS 26 Cb 0.00 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2k7o s LYS 26 CO 0.00 -0.22 0.34 -0.51 -0.92 0.00 0.00 175.35 174.04 2k7o s LEU 27 N 1.52 4.05 0.44 3.17 1.02 -1.22 -4.87 118.68 122.79 2k7o s LEU 27 Ca 0.06 0.27 -0.01 0.00 0.02 0.00 0.00 54.13 54.46 2k7o s LEU 27 Cb -0.15 -2.38 -0.02 0.00 0.02 0.00 0.00 46.19 43.66 2k7o s LEU 27 CO -0.01 -0.14 0.68 -0.54 0.02 0.00 0.00 176.35 176.35 2k7o s LYS 28 N 1.89 3.30 0.20 1.70 1.02 -1.26 -2.04 119.74 124.54 2k7o s LYS 28 Ca 0.14 -0.24 -0.12 0.00 0.02 0.00 0.00 55.97 55.77 2k7o s LYS 28 Cb -0.16 -2.53 0.23 0.00 -0.52 0.00 0.00 37.83 34.86 2k7o s LYS 28 CO 0.10 -0.16 1.70 -0.22 -0.92 0.00 0.00 175.35 175.85 2k7o h LYS 29 N 0.42 0.19 -1.01 1.68 3.64 -1.98 0.70 116.57 120.22 2k7o h LYS 29 Ca -0.47 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2k7o h LYS 29 Cb 1.23 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2k7o h LYS 29 CO 0.60 0.13 0.67 0.77 -2.27 0.00 0.00 179.45 179.35 2k7o h SER 30 N 0.20 1.16 -0.37 4.20 0.02 -1.99 -0.27 113.55 116.50 2k7o h SER 30 Ca 0.28 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.04 2k7o h SER 30 Cb 0.40 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2k7o h SER 30 CO -0.39 0.84 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.43 2k7o h GLU 31 N 1.37 0.93 -0.11 3.45 5.08 -1.36 -2.62 114.58 121.30 2k7o h GLU 31 Ca 0.37 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2k7o h GLU 31 Cb -0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2k7o h GLU 31 CO -0.08 1.14 0.07 1.25 -1.00 0.00 0.00 179.01 180.39 2k7o h LEU 32 N 0.76 0.12 -0.98 1.33 5.85 0.11 -2.50 115.31 120.00 2k7o h LEU 32 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2k7o h LEU 32 Cb 0.97 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2k7o h LEU 32 CO 0.09 0.09 0.63 0.50 -0.34 0.00 0.00 178.44 179.42 2k7o h LYS 33 N 0.15 1.31 -0.44 1.25 3.64 -1.03 -2.56 116.57 118.89 2k7o h LYS 33 Ca 0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2k7o h LYS 33 Cb -0.02 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 2k7o h LYS 33 CO -0.01 0.88 0.29 0.93 -2.27 0.00 0.00 179.45 179.28 2k7o h GLU 34 N 1.34 0.58 -0.05 1.90 4.39 -1.13 -1.02 114.58 120.60 2k7o h GLU 34 Ca 0.36 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2k7o h GLU 34 Cb -0.13 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.39 2k7o h GLU 34 CO -0.07 0.39 0.03 1.25 -1.16 0.00 0.00 179.01 179.45 2k7o h LEU 35 N 0.60 0.06 -0.29 1.33 5.85 -1.11 0.57 115.31 122.32 2k7o h LEU 35 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2k7o h LEU 35 Cb -0.07 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2k7o h LEU 35 CO -0.04 0.04 0.19 0.40 -0.34 0.00 0.00 178.44 178.70 2k7o h ILE 36 N 0.07 1.08 0.00 4.05 2.04 -1.24 -1.14 117.51 122.36 2k7o h ILE 36 Ca 0.02 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2k7o h ILE 36 Cb -0.01 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2k7o h ILE 36 CO -0.00 0.07 -0.26 0.78 0.00 0.00 0.00 178.15 178.74 2k7o h ASN 37 N 0.39 0.00 0.00 1.72 -0.26 -1.02 0.13 115.58 116.55 2k7o h ASN 37 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2k7o h ASN 37 Cb -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2k7o h ASN 37 CO -0.02 0.26 -0.03 -3.20 -1.06 0.00 0.00 177.43 173.38 2k7o n ASN 38 N -3.29 1.66 0.00 5.81 5.15 0.20 -4.16 115.26 120.63 2k7o n ASN 38 Ca 0.01 -1.51 0.00 0.00 -0.60 0.00 0.00 54.58 52.48 2k7o n ASN 38 Cb 0.53 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 2k7o n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k7o n GLU 39 N 0.25 0.00 -0.02 1.20 1.02 -0.48 -4.88 120.64 117.74 2k7o n GLU 39 Ca 0.18 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.45 2k7o n GLU 39 Cb 0.39 -0.27 0.49 0.00 -0.02 0.00 0.00 31.44 32.03 2k7o n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k7o n LEU 40 N -1.67 1.57 -0.34 -4.62 4.32 0.39 -4.06 117.00 112.57 2k7o n LEU 40 Ca 0.00 -0.55 -0.01 0.00 -0.02 0.00 0.00 56.01 55.43 2k7o n LEU 40 Cb 0.00 -0.02 0.14 0.00 -1.62 0.00 0.00 43.42 41.92 2k7o n LEU 40 CO 0.00 0.27 1.29 -1.28 -1.22 0.00 0.00 177.39 176.45 2k7o h SER 41 N 2.38 1.10 0.70 -1.43 0.87 -1.52 0.88 113.55 116.53 2k7o h SER 41 Ca 0.00 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2k7o h SER 41 Cb 0.51 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2k7o h SER 41 CO 0.00 0.79 -0.06 0.45 -0.53 0.00 0.00 176.83 177.48 2k7o h HIS 42 N 1.29 0.00 0.00 2.24 3.86 -1.90 -2.76 115.15 117.89 2k7o h HIS 42 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2k7o h HIS 42 Cb -0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2k7o h HIS 42 CO 0.00 0.06 -1.67 1.19 0.86 0.00 0.00 177.93 178.37 2k7o n PHE 43 N -3.25 0.00 -3.91 2.45 3.01 -0.27 -4.94 117.46 110.55 2k7o n PHE 43 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.31 2k7o n PHE 43 Cb 0.27 -0.35 -0.15 0.00 -0.01 0.00 0.00 39.48 39.24 2k7o n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2k7o s LEU 44 N -4.03 1.58 -0.49 4.37 1.43 0.29 -5.10 118.68 116.73 2k7o s LEU 44 Ca -0.04 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 2k7o s LEU 44 Cb 0.12 -0.11 0.15 0.00 0.03 0.00 0.00 46.19 46.38 2k7o s LEU 44 CO 0.76 -0.05 0.30 -0.70 0.23 0.00 0.00 176.35 176.90 2k7o s GLU 45 N 0.48 1.52 0.00 1.70 2.56 -1.26 -4.09 118.70 119.61 2k7o s GLU 45 Ca -0.04 -2.34 0.00 0.00 0.00 0.00 0.00 54.97 52.59 2k7o s GLU 45 Cb -0.07 -2.51 0.00 0.00 2.00 0.00 0.00 34.13 33.56 2k7o s GLU 45 CO -0.01 -1.21 0.00 -1.91 -0.56 0.00 0.00 175.26 171.57 2k7o n GLU 46 N 3.10 0.00 -4.10 4.30 2.13 -1.26 -5.04 120.64 119.77 2k7o n GLU 46 Ca 0.13 0.00 -0.48 0.00 0.66 0.00 0.00 57.16 57.48 2k7o n GLU 46 Cb 0.36 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.09 2k7o n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2k7o n ILE 47 N 0.00 -2.57 1.13 6.31 5.41 -1.26 -4.82 119.36 123.56 2k7o n ILE 47 Ca 0.00 -0.59 0.12 0.00 1.00 0.00 0.00 62.75 63.28 2k7o n ILE 47 Cb 0.00 -2.19 0.21 0.00 -0.71 0.00 0.00 39.64 36.96 2k7o n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2k7o n LYS 48 N -5.10 0.81 -5.28 0.38 5.02 -1.26 -4.87 118.16 107.86 2k7o n LYS 48 Ca -0.11 -0.57 -0.31 0.00 -2.02 0.00 0.00 58.31 55.29 2k7o n LYS 48 Cb 0.56 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.58 2.44 0.24 1.97 0.41 -1.26 -5.03 118.70 114.90 2k7o s GLU 49 Ca 0.20 -0.91 -0.06 0.00 -0.41 0.00 0.00 54.97 53.79 2k7o s GLU 49 Cb 0.18 -2.13 0.24 0.00 -1.78 0.00 0.00 34.13 30.65 2k7o s GLU 49 CO 0.58 0.42 1.91 0.37 -0.49 0.00 0.00 175.26 178.05 2k7o h GLN 50 N 5.92 1.31 -0.60 1.61 4.15 -2.01 -2.11 115.11 123.38 2k7o h GLN 50 Ca -0.35 -0.10 0.17 0.00 0.77 0.00 0.00 58.65 59.15 2k7o h GLN 50 Cb 1.16 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 2k7o h GLN 50 CO 0.47 0.89 0.45 1.05 -1.93 0.00 0.00 178.83 179.76 2k7o h GLU 51 N 1.34 0.00 -0.35 1.69 4.11 -2.00 0.38 114.58 119.74 2k7o h GLU 51 Ca 0.35 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.66 2k7o h GLU 51 Cb -0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k7o h GLU 51 CO -0.07 0.00 -0.29 0.28 0.07 0.00 0.00 179.01 179.00 2k7o h VAL 52 N 0.00 1.28 -0.31 -1.06 2.07 -1.80 -2.62 116.25 113.81 2k7o h VAL 52 Ca 0.28 -1.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.23 2k7o h VAL 52 Cb 1.17 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2k7o h VAL 52 CO -0.00 0.47 -0.39 0.58 0.02 0.00 0.00 177.57 178.25 2k7o h VAL 53 N 0.64 1.29 -0.65 2.57 2.07 -0.33 -2.88 116.25 118.96 2k7o h VAL 53 Ca 0.08 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.03 2k7o h VAL 53 Cb 0.81 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2k7o h VAL 53 CO 0.07 0.51 0.43 -0.78 0.02 0.00 0.00 177.57 177.82 2k7o h ASP 54 N 0.58 0.74 -0.86 0.57 1.82 -1.16 0.28 116.42 118.40 2k7o h ASP 54 Ca 0.04 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2k7o h ASP 54 Cb 0.98 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.77 2k7o h ASP 54 CO 0.09 0.54 0.49 0.50 -1.61 0.00 0.00 179.24 179.25 2k7o h LYS 55 N 0.88 1.18 -0.52 0.28 3.64 -1.46 -2.21 116.57 118.37 2k7o h LYS 55 Ca 0.24 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2k7o h LYS 55 Cb -0.10 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.46 2k7o h LYS 55 CO -0.05 0.85 -0.07 0.28 -2.27 0.00 0.00 179.45 178.19 2k7o h VAL 56 N 1.19 1.27 -0.05 2.00 2.07 -1.16 -2.64 116.25 118.92 2k7o h VAL 56 Ca 0.31 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2k7o h VAL 56 Cb -0.01 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2k7o h VAL 56 CO -0.05 0.42 0.03 -0.03 0.02 0.00 0.00 177.57 177.96 2k7o h MET 57 N 0.83 0.06 -0.80 1.57 1.85 -0.48 0.22 114.93 118.18 2k7o h MET 57 Ca 0.14 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.23 2k7o h MET 57 Cb 0.62 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.59 2k7o h MET 57 CO 0.04 0.04 0.53 0.93 -0.40 0.00 0.00 176.91 178.05 2k7o h GLU 58 N 0.07 1.05 -0.37 0.39 5.08 -1.38 0.39 114.58 119.80 2k7o h GLU 58 Ca 0.02 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 2k7o h GLU 58 Cb -0.01 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2k7o h GLU 58 CO -0.00 0.70 -0.42 1.15 -1.00 0.00 0.00 179.01 179.44 2k7o h THR 59 N 1.08 1.27 -0.28 1.13 2.02 -1.22 -3.21 112.91 113.71 2k7o h THR 59 Ca 0.29 -1.59 -0.19 0.00 0.77 0.00 0.00 66.41 65.69 2k7o h THR 59 Cb -0.12 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2k7o h THR 59 CO -0.06 0.53 -0.57 -0.07 0.37 0.00 0.00 175.52 175.72 2k7o h LEU 60 N 0.75 0.98 -8.55 2.58 -0.00 -0.12 -3.41 115.31 107.54 2k7o h LEU 60 Ca 0.05 -0.54 -0.52 0.00 -0.00 0.00 0.00 57.88 56.88 2k7o h LEU 60 Cb 1.02 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 41.35 2k7o h LEU 60 CO 0.10 1.34 1.29 -1.81 -0.00 0.00 0.00 178.44 179.37 2k7o s ASP 61 N -6.97 5.52 0.23 -0.43 1.01 0.13 -4.83 116.67 111.33 2k7o s ASP 61 Ca -0.11 0.44 -0.08 0.00 0.71 0.00 0.00 52.55 53.51 2k7o s ASP 61 Cb 0.10 -2.53 0.20 0.00 1.01 0.00 0.00 42.92 41.69 2k7o s ASP 61 CO 0.89 -2.16 1.86 -0.08 0.21 0.00 0.00 175.17 175.90 2k7o h GLU 62 N 13.88 1.19 0.00 8.23 4.22 -1.84 -2.35 114.58 137.91 2k7o h GLU 62 Ca -0.27 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.05 2k7o h GLU 62 Cb 1.15 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2k7o h GLU 62 CO 1.19 0.85 -0.55 -0.40 -2.18 0.00 0.00 179.01 177.91 2k7o n ASP 63 N -4.40 0.65 -1.21 1.04 5.75 -1.26 -4.94 116.55 112.18 2k7o n ASP 63 Ca 0.09 0.11 -0.11 0.00 -0.01 0.00 0.00 54.79 54.87 2k7o n ASP 63 Cb 0.07 0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.36 -0.07 0.00 6.12 0.00 -0.89 -4.87 105.19 106.85 2k7o n GLY 64 Ca 0.04 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.02 0.00 0.00 1.61 5.75 -1.26 -4.83 116.55 117.80 2k7o n ASP 65 Ca -0.13 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 2k7o n ASP 65 Cb 0.60 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.49 0.74 3.09 6.12 0.00 -1.26 -5.00 105.19 109.37 2k7o n GLY 66 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2k7o n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7o s GLU 67 N -0.01 0.61 -0.44 1.61 2.02 -1.26 -4.61 118.70 116.62 2k7o s GLU 67 Ca 0.00 -1.22 -0.13 0.00 0.02 0.00 0.00 54.97 53.64 2k7o s GLU 67 Cb 0.00 0.21 0.06 0.00 0.10 0.00 0.00 34.13 34.50 2k7o s GLU 67 CO 0.00 -0.11 0.33 0.00 0.02 0.00 0.00 175.26 175.49 2k7o s ASP 69 N 2.22 1.47 0.09 0.00 -1.08 -1.26 -3.39 116.67 114.73 2k7o s ASP 69 Ca 0.04 0.43 -0.22 0.00 -0.52 0.00 0.00 52.55 52.28 2k7o s ASP 69 Cb -0.23 -0.55 -0.13 0.00 -1.46 0.00 0.00 42.92 40.56 2k7o s ASP 69 CO 0.06 -3.76 1.70 0.15 0.52 0.00 0.00 175.17 173.83 2k7o h PHE 70 N -2.34 0.10 0.16 -5.34 3.57 -1.98 0.31 116.94 111.42 2k7o h PHE 70 Ca -0.44 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.07 2k7o h PHE 70 Cb 1.26 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 2k7o h PHE 70 CO -2.08 0.12 -0.23 1.96 -2.23 0.00 0.00 178.31 175.85 2k7o h GLN 71 N 0.05 -0.44 -0.71 1.11 4.20 -1.99 -0.49 115.11 116.84 2k7o h GLN 71 Ca 0.03 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.77 2k7o h GLN 71 Cb 0.05 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2k7o h GLN 71 CO -0.00 -0.29 0.47 0.93 -0.67 0.00 0.00 178.83 179.26 2k7o h GLU 72 N -0.46 0.94 -1.00 1.46 5.08 -1.89 -0.94 114.58 117.76 2k7o h GLU 72 Ca 0.01 -0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 2k7o h GLU 72 Cb 0.46 -0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 2k7o h GLU 72 CO -0.10 0.62 0.61 0.35 -1.00 0.00 0.00 179.01 179.49 2k7o h PHE 73 N 0.97 1.05 -0.10 4.33 3.57 0.41 1.28 116.94 128.45 2k7o h PHE 73 Ca 0.26 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 2k7o h PHE 73 Cb -0.11 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.30 2k7o h PHE 73 CO -0.02 0.17 -0.40 1.98 -2.23 0.00 0.00 178.31 177.81 2k7o h MET 74 N 0.69 0.22 0.63 1.11 4.05 0.22 -2.79 114.93 119.07 2k7o h MET 74 Ca 0.61 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.89 2k7o h MET 74 Cb 1.03 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.83 2k7o h MET 74 CO -0.42 0.59 -0.30 0.00 0.23 0.00 0.00 176.91 177.01 2k7o h ALA 75 N 1.41 -0.85 -1.10 0.39 0.00 0.23 0.32 119.26 119.66 2k7o h ALA 75 Ca 0.02 -0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.02 2k7o h ALA 75 Cb 0.79 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2k7o h ALA 75 CO 0.06 -0.87 0.72 0.35 0.00 0.00 0.00 179.25 179.51 2k7o h PHE 76 N -1.06 0.55 -0.37 0.00 3.04 -1.04 2.95 116.94 121.01 2k7o h PHE 76 Ca -0.09 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.76 2k7o h PHE 76 Cb 0.70 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 2k7o h PHE 76 CO -0.00 0.01 -0.25 0.28 -2.02 0.00 0.00 178.31 176.33 2k7o h VAL 77 N 0.29 1.28 -0.02 1.41 2.07 -1.17 -2.27 116.25 117.84 2k7o h VAL 77 Ca 0.62 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2k7o h VAL 77 Cb 1.77 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2k7o h VAL 77 CO -0.28 0.46 -0.10 0.77 0.02 0.00 0.00 177.57 178.45 2k7o h SER 78 N 0.61 0.13 -1.00 0.57 4.64 0.38 -3.12 113.55 115.76 2k7o h SER 78 Ca 0.07 -0.65 0.34 0.00 -0.47 0.00 0.00 61.79 61.08 2k7o h SER 78 Cb 0.82 -0.04 -0.16 0.00 -0.31 0.00 0.00 62.40 62.71 2k7o h SER 78 CO 0.07 0.76 0.56 -0.03 -0.87 0.00 0.00 176.83 177.32 2k7o h MET 79 N -0.50 0.25 0.00 4.77 -1.53 0.47 0.72 114.93 119.10 2k7o h MET 79 Ca -0.01 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 2k7o h MET 79 Cb 0.76 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.75 2k7o h MET 79 CO 0.02 0.16 0.00 0.28 0.14 0.00 0.00 176.91 177.51 2k7o n VAL 80 N -5.10 0.00 -0.32 -5.77 0.31 -0.86 0.65 118.33 107.24 2k7o n VAL 80 Ca 0.33 0.78 -0.00 0.00 -0.01 0.00 0.00 64.34 65.44 2k7o n VAL 80 Cb 1.05 -1.67 0.06 0.00 -0.91 0.00 0.00 33.84 32.36 2k7o n VAL 80 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2k7o h THR 81 N 0.00 0.08 -0.20 2.52 1.35 -1.06 0.42 112.91 116.02 2k7o h THR 81 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2k7o h THR 81 Cb 0.00 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.49 2k7o h THR 81 CO 0.00 0.00 0.13 0.71 -0.25 0.00 0.00 175.52 176.11 2k7o h THR 82 N -0.04 1.05 -0.13 6.82 1.35 0.35 -1.28 112.91 121.03 2k7o h THR 82 Ca 0.34 -0.10 -0.18 0.00 -0.55 0.00 0.00 66.41 65.93 2k7o h THR 82 Cb 0.60 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2k7o h THR 82 CO -0.89 0.05 -0.65 0.00 -0.25 0.00 0.00 175.52 173.78 2k7o h ALA 83 N 1.87 0.62 -2.76 6.62 0.00 0.46 -3.42 119.26 122.66 2k7o h ALA 83 Ca 0.07 -0.56 -0.56 0.00 0.00 0.00 0.00 54.91 53.86 2k7o h ALA 83 Cb -0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2k7o h ALA 83 CO -0.02 0.72 0.02 0.00 0.00 0.00 0.00 179.25 179.98 2k7o s HIS 85 N 0.64 3.39 0.39 0.00 -3.43 -1.26 -4.83 115.29 110.19 2k7o s HIS 85 Ca 0.34 1.50 -0.27 0.00 -0.80 0.00 0.00 55.06 55.83 2k7o s HIS 85 Cb -0.17 -2.79 -0.10 0.00 -1.43 0.00 0.00 32.58 28.09 2k7o s HIS 85 CO 0.16 -0.23 1.36 -2.00 -2.00 0.00 0.00 174.74 172.04 2k7o s GLU 86 N -3.63 4.06 0.00 -0.38 2.12 -1.26 -4.83 118.70 114.78 2k7o s GLU 86 Ca 0.60 2.30 0.00 0.00 0.36 0.00 0.00 54.97 58.23 2k7o s GLU 86 Cb -0.10 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.42 2k7o s GLU 86 CO 0.23 -0.47 0.00 0.34 -0.54 0.00 0.00 175.26 174.82 2k7o n PHE 87 N 0.33 0.00 -0.99 5.30 7.35 -1.26 -5.15 117.46 123.04 2k7o n PHE 87 Ca 0.02 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.79 2k7o n PHE 87 Cb 0.42 0.08 -0.02 0.00 0.35 0.00 0.00 39.48 40.31 2k7o n PHE 87 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2k7o n PHE 88 N 0.00 -2.50 -3.37 -5.13 7.35 -1.26 -4.69 117.46 107.86 2k7o n PHE 88 Ca 0.00 0.67 -0.34 0.00 -0.76 0.00 0.00 57.45 57.01 2k7o n PHE 88 Cb 0.26 -1.21 -0.06 0.00 0.35 0.00 0.00 39.48 38.83 2k7o n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2k7o s GLU 89 N -1.25 3.93 0.02 -4.13 0.41 -1.26 -5.09 118.70 111.32 2k7o s GLU 89 Ca 0.00 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 2k7o s GLU 89 Cb 0.00 -2.83 -0.02 0.00 -1.78 0.00 0.00 34.13 29.50 2k7o s GLU 89 CO 0.00 0.42 -0.03 -1.58 -0.49 0.00 0.00 175.26 173.58 2k7o s HIS 90 N -1.59 0.26 -2.00 1.61 5.65 -1.26 -5.33 115.29 112.63 2k7o s HIS 90 Ca 0.41 -0.47 0.19 0.00 0.25 0.00 0.00 55.06 55.44 2k7o s HIS 90 Cb -0.14 -0.18 1.16 0.00 -1.18 0.00 0.00 32.58 32.24 2k7o s HIS 90 CO 0.20 -0.16 1.55 0.39 -0.65 0.00 0.00 174.74 176.06