#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8q n GLY 0 N 0.00 4.74 3.68 0.00 0.00 -1.26 -5.05 105.19 107.30 2b8q n GLY 0 Ca 0.00 -1.18 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 2b8q n GLY 0 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2b8q n LEU 1 N -1.04 3.28 -3.79 0.99 7.94 -1.26 -2.19 117.00 120.94 2b8q n LEU 1 Ca 0.25 1.17 -0.09 0.00 -1.11 0.00 0.00 56.01 56.23 2b8q n LEU 1 Cb 0.87 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 43.31 2b8q n LEU 1 CO 0.11 -0.51 0.00 -1.10 -1.11 0.00 0.00 177.39 174.78 2b8q s GLN 2 N -1.13 0.95 -0.00 1.96 -0.21 -0.66 -4.86 119.66 115.71 2b8q s GLN 2 Ca 0.62 -0.89 0.04 0.00 0.02 0.00 0.00 55.36 55.16 2b8q s GLN 2 Cb -0.61 0.39 -0.01 0.00 1.00 0.00 0.00 33.01 33.78 2b8q s GLN 2 CO 0.56 -0.33 -0.14 1.03 -2.12 0.00 0.00 175.29 174.28 2b8q s ARG 3 N -3.85 1.12 0.05 2.91 0.52 -1.26 -1.10 118.95 117.34 2b8q s ARG 3 Ca 0.05 -0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.71 2b8q s ARG 3 Cb 0.04 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 2b8q s ARG 3 CO -0.11 0.30 -0.03 -0.08 0.02 0.00 0.00 175.30 175.40 2b8q s THR 4 N -0.40 0.24 -0.21 0.02 -1.32 -0.34 -4.72 115.64 108.90 2b8q s THR 4 Ca 0.05 -1.61 -0.07 0.00 -1.21 0.00 0.00 61.69 58.85 2b8q s THR 4 Cb -0.06 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 2b8q s THR 4 CO -0.00 -0.87 0.05 -0.22 -2.21 0.00 0.00 174.62 171.36 2b8q s LEU 5 N -2.59 3.51 0.02 9.08 0.20 -1.26 -1.05 118.68 126.58 2b8q s LEU 5 Ca 0.02 -0.11 0.08 0.00 0.69 0.00 0.00 54.13 54.81 2b8q s LEU 5 Cb 0.04 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.86 2b8q s LEU 5 CO -0.08 0.06 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.14 2b8q s VAL 6 N 1.03 2.49 -0.13 1.68 1.01 0.52 -2.29 120.40 124.71 2b8q s VAL 6 Ca 0.03 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2b8q s VAL 6 Cb -0.14 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2b8q s VAL 6 CO 0.03 0.42 -0.16 -0.76 0.00 0.00 0.00 175.10 174.62 2b8q s LEU 7 N -1.16 1.77 -0.22 3.92 1.43 -0.45 0.13 118.68 124.11 2b8q s LEU 7 Ca 0.13 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 2b8q s LEU 7 Cb -0.10 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2b8q s LEU 7 CO 0.03 -0.00 0.72 -0.63 0.23 0.00 0.00 176.35 176.69 2b8q s ILE 8 N 1.15 4.94 0.64 -0.59 -1.09 0.42 -1.62 121.20 125.04 2b8q s ILE 8 Ca -0.02 1.35 -0.08 0.00 -2.23 0.00 0.00 60.65 59.66 2b8q s ILE 8 Cb -0.14 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 2b8q s ILE 8 CO -0.05 0.02 0.98 -0.54 -1.23 0.00 0.00 174.94 174.13 2b8q s LYS 9 N 2.37 2.91 0.31 2.79 1.02 -0.04 -2.35 119.74 126.74 2b8q s LYS 9 Ca 0.31 0.20 0.07 0.00 0.02 0.00 0.00 55.97 56.57 2b8q s LYS 9 Cb -0.16 -2.17 0.79 0.00 -0.52 0.00 0.00 37.83 35.78 2b8q s LYS 9 CO 0.09 -0.83 1.76 -1.35 -0.92 0.00 0.00 175.35 174.10 2b8q h PRO 10 N -0.37 0.68 0.00 -1.68 0.11 -1.85 0.96 132.00 129.85 2b8q h PRO 10 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2b8q h PRO 10 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b8q h PRO 10 CO 0.62 0.45 -0.04 0.38 -0.21 0.00 0.00 178.00 179.20 2b8q h ASP 11 N 0.70 0.00 -0.37 -2.05 2.03 -1.91 -0.70 116.42 114.11 2b8q h ASP 11 Ca 0.60 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.83 2b8q h ASP 11 Cb 1.01 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 2b8q h ASP 11 CO -0.41 0.04 -0.06 0.00 -1.03 0.00 0.00 179.24 177.79 2b8q h ALA 12 N 1.96 0.51 -0.16 4.15 0.00 -1.07 -0.94 119.26 123.71 2b8q h ALA 12 Ca -0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 2b8q h ALA 12 Cb 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2b8q h ALA 12 CO 0.01 0.33 -0.77 0.74 0.00 0.00 0.00 179.25 179.56 2b8q h PHE 13 N 0.50 1.05 -0.52 0.00 -1.00 -1.39 0.19 116.94 115.77 2b8q h PHE 13 Ca 0.10 -0.46 0.08 0.00 2.81 0.00 0.00 57.97 60.50 2b8q h PHE 13 Cb 0.55 -0.16 -0.06 0.00 3.61 0.00 0.00 35.95 39.89 2b8q h PHE 13 CO 0.05 1.29 0.17 1.49 -1.61 0.00 0.00 178.31 179.69 2b8q h GLU 14 N 0.53 0.32 -0.50 1.51 4.57 -1.06 -2.42 114.58 117.54 2b8q h GLU 14 Ca -0.05 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2b8q h GLU 14 Cb 1.39 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2b8q h GLU 14 CO 0.16 0.21 0.00 0.54 -1.18 0.00 0.00 179.01 178.74 2b8q n ARG 15 N -5.03 2.26 -3.61 1.92 1.74 -0.37 -4.97 116.66 108.61 2b8q n ARG 15 Ca 0.06 -1.94 -0.21 0.00 -0.77 0.00 0.00 57.85 54.99 2b8q n ARG 15 Cb 0.22 -1.44 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 2b8q n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2b8q n SER 16 N 1.09 -2.21 -0.19 0.55 7.64 -0.50 -4.92 113.62 115.09 2b8q n SER 16 Ca 0.18 -0.72 0.09 0.00 1.01 0.00 0.00 58.87 59.44 2b8q n SER 16 Cb 0.47 -4.51 0.15 0.00 -1.01 0.00 0.00 64.21 59.30 2b8q n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2b8q n LEU 17 N -4.32 2.55 0.04 -3.43 4.77 0.55 -4.78 117.00 112.39 2b8q n LEU 17 Ca -0.24 -3.01 -0.13 0.00 -0.03 0.00 0.00 56.01 52.60 2b8q n LEU 17 Cb 0.65 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 2b8q n LEU 17 CO 0.66 0.69 0.69 0.58 -1.33 0.00 0.00 177.39 178.68 2b8q h VAL 18 N 0.27 1.12 -0.52 4.08 2.07 -1.92 -2.25 116.25 119.10 2b8q h VAL 18 Ca 0.00 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2b8q h VAL 18 Cb 1.03 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2b8q h VAL 18 CO 0.03 0.17 0.20 0.00 0.02 0.00 0.00 177.57 177.99 2b8q h ALA 19 N 0.50 0.67 -0.45 1.67 0.00 -1.95 -1.72 119.26 117.98 2b8q h ALA 19 Ca -0.01 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.83 2b8q h ALA 19 Cb 0.35 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 2b8q h ALA 19 CO 0.02 0.28 -0.14 1.49 0.00 0.00 0.00 179.25 180.90 2b8q h GLU 20 N 0.69 -0.03 0.10 0.00 4.57 -1.87 0.61 114.58 118.64 2b8q h GLU 20 Ca 0.17 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2b8q h GLU 20 Cb 0.20 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2b8q h GLU 20 CO -0.01 -0.02 -0.05 0.82 -1.18 0.00 0.00 179.01 178.57 2b8q h ILE 21 N -0.03 1.05 0.00 2.32 2.04 -1.25 -2.61 117.51 119.04 2b8q h ILE 21 Ca 0.22 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2b8q h ILE 21 Cb 0.37 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2b8q h ILE 21 CO -0.48 0.14 -0.10 0.24 0.00 0.00 0.00 178.15 177.95 2b8q h MET 22 N -0.39 0.00 -0.16 2.37 2.86 -0.91 -2.27 114.93 116.44 2b8q h MET 22 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 2b8q h MET 22 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2b8q h MET 22 CO 0.02 0.10 -0.47 0.78 1.06 0.00 0.00 176.91 178.39 2b8q h GLY 23 N 0.31 0.44 1.28 8.32 0.00 0.38 0.31 103.07 114.11 2b8q h GLY 23 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 2b8q h GLY 23 CO 0.01 0.42 -0.16 3.21 0.00 0.00 0.00 176.54 180.02 2b8q h ARG 24 N 0.32 0.84 -0.11 4.80 3.08 -1.03 0.40 114.38 122.68 2b8q h ARG 24 Ca 0.02 -0.31 -0.18 0.00 0.07 0.00 0.00 59.98 59.57 2b8q h ARG 24 Cb 0.96 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2b8q h ARG 24 CO 0.08 0.94 -0.69 0.82 -1.07 0.00 0.00 179.97 180.05 2b8q h ILE 25 N 0.74 1.35 -0.55 2.04 2.04 -1.35 -3.02 117.51 118.76 2b8q h ILE 25 Ca 0.11 -2.03 -0.08 0.00 1.00 0.00 0.00 64.86 63.86 2b8q h ILE 25 Cb 0.68 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2b8q h ILE 25 CO 0.05 0.62 0.02 -0.08 0.00 0.00 0.00 178.15 178.76 2b8q h GLU 26 N 0.35 0.96 0.00 2.37 4.81 -0.62 -2.93 114.58 119.52 2b8q h GLU 26 Ca -0.02 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2b8q h GLU 26 Cb 1.26 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2b8q h GLU 26 CO 0.12 0.96 -0.01 0.87 -0.73 0.00 0.00 179.01 180.23 2b8q h LYS 27 N 0.85 0.00 -0.16 1.92 1.79 -0.92 -2.06 116.57 117.99 2b8q h LYS 27 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2b8q h LYS 27 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2b8q h LYS 27 CO 0.02 0.01 0.00 1.17 -1.08 0.00 0.00 179.45 179.57 2b8q n LYS 28 N -3.10 1.51 -2.88 3.15 3.00 -1.12 -4.91 118.16 113.80 2b8q n LYS 28 Ca 0.00 -0.78 -0.09 0.00 -0.00 0.00 0.00 58.31 57.45 2b8q n LYS 28 Cb 0.29 -1.29 0.03 0.00 0.00 0.00 0.00 35.03 34.06 2b8q n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2b8q n ASN 29 N 0.04 -3.56 -4.75 3.14 4.05 -0.77 -5.07 115.26 108.34 2b8q n ASN 29 Ca 0.13 -0.19 -0.32 0.00 0.45 0.00 0.00 54.58 54.65 2b8q n ASN 29 Cb 0.23 -2.12 -0.07 0.00 1.23 0.00 0.00 39.78 39.04 2b8q n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2b8q s PHE 30 N -3.10 3.19 -0.02 1.20 0.40 -1.16 -4.91 117.98 113.56 2b8q s PHE 30 Ca 0.21 0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 2b8q s PHE 30 Cb -0.09 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 2b8q s PHE 30 CO 0.26 0.52 -0.10 0.15 0.70 0.00 0.00 175.22 176.74 2b8q s LYS 31 N -1.93 2.52 -0.03 0.44 -0.14 -0.87 -4.58 119.74 115.15 2b8q s LYS 31 Ca 0.24 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 2b8q s LYS 31 Cb -0.12 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.55 2b8q s LYS 31 CO 0.16 0.61 1.22 0.42 -0.76 0.00 0.00 175.35 177.00 2b8q s ILE 32 N -0.88 4.17 -0.11 2.17 1.01 -1.26 -1.05 121.20 125.25 2b8q s ILE 32 Ca 0.14 1.52 0.13 0.00 0.00 0.00 0.00 60.65 62.44 2b8q s ILE 32 Cb -0.11 -3.98 -0.19 0.00 0.01 0.00 0.00 42.46 38.20 2b8q s ILE 32 CO 0.04 0.02 0.12 0.52 0.00 0.00 0.00 174.94 175.64 2b8q n VAL 33 N 4.47 0.72 -3.64 2.92 0.31 0.13 -4.96 118.33 118.28 2b8q n VAL 33 Ca 0.11 -0.53 -0.15 0.00 -0.01 0.00 0.00 64.34 63.76 2b8q n VAL 33 Cb 0.46 -0.44 -0.07 0.00 -0.91 0.00 0.00 33.84 32.88 2b8q n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2b8q s SER 34 N -4.46 -0.45 -0.20 4.52 0.01 -1.21 -4.99 113.70 106.92 2b8q s SER 34 Ca -0.06 0.51 -0.17 0.00 1.31 0.00 0.00 55.95 57.53 2b8q s SER 34 Cb 0.05 0.52 0.05 0.00 0.21 0.00 0.00 66.02 66.86 2b8q s SER 34 CO 0.58 -0.49 0.53 -0.32 0.41 0.00 0.00 173.24 173.95 2b8q s MET 35 N -1.05 0.60 -0.01 12.44 0.00 -1.26 -1.44 119.30 128.58 2b8q s MET 35 Ca -0.11 0.77 -0.00 0.00 0.00 0.00 0.00 55.69 56.36 2b8q s MET 35 Cb -0.03 0.25 0.01 0.00 0.00 0.00 0.00 34.83 35.07 2b8q s MET 35 CO 0.06 -0.09 0.02 0.21 0.00 0.00 0.00 175.02 175.22 2b8q s LYS 36 N 0.49 -0.01 -0.21 4.11 2.20 -0.39 -5.01 119.74 120.92 2b8q s LYS 36 Ca -0.02 0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.60 2b8q s LYS 36 Cb -0.04 -0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 2b8q s LYS 36 CO -0.02 -0.08 0.10 0.12 -0.36 0.00 0.00 175.35 175.11 2b8q s PHE 37 N 0.51 3.27 -0.29 4.03 5.36 -1.26 -1.51 117.98 128.09 2b8q s PHE 37 Ca -0.04 0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 56.01 2b8q s PHE 37 Cb -0.06 -2.17 0.05 0.00 -0.34 0.00 0.00 43.02 40.50 2b8q s PHE 37 CO -0.01 0.08 -0.02 -1.58 -1.46 0.00 0.00 175.22 172.23 2b8q s TRP 38 N 0.73 3.25 0.35 10.12 0.52 0.08 -4.96 118.94 129.03 2b8q s TRP 38 Ca 0.05 -1.93 0.02 0.00 0.02 0.00 0.00 56.10 54.27 2b8q s TRP 38 Cb -0.13 -2.07 0.63 0.00 -1.15 0.00 0.00 33.47 30.75 2b8q s TRP 38 CO 0.02 -0.81 2.00 0.66 0.02 0.00 0.00 176.95 178.84 2b8q h SER 39 N 7.96 0.74 -1.75 2.95 4.64 -1.91 -0.53 113.55 125.65 2b8q h SER 39 Ca -0.21 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.14 2b8q h SER 39 Cb 1.06 -0.18 -0.22 0.00 -0.31 0.00 0.00 62.40 62.75 2b8q h SER 39 CO 0.52 0.53 -0.22 -0.75 -0.87 0.00 0.00 176.83 176.04 2b8q s LYS 40 N -5.74 0.54 0.38 4.77 2.20 -1.26 -2.89 119.74 117.74 2b8q s LYS 40 Ca -0.10 1.23 -0.24 0.00 -0.36 0.00 0.00 55.97 56.51 2b8q s LYS 40 Cb 0.18 0.66 -0.10 0.00 -1.51 0.00 0.00 37.83 37.05 2b8q s LYS 40 CO 0.77 -0.35 0.97 0.00 -0.36 0.00 0.00 175.35 176.38 2b8q s ALA 41 N 2.84 3.11 0.15 3.13 0.00 -1.26 -5.00 121.76 124.73 2b8q s ALA 41 Ca 0.03 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 2b8q s ALA 41 Cb -0.13 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2b8q s ALA 41 CO -0.19 0.06 1.43 -2.14 0.00 0.00 0.00 175.76 174.92 2b8q s PRO 42 N -2.59 4.30 0.55 0.00 0.02 -1.26 -4.85 135.00 131.17 2b8q s PRO 42 Ca 0.57 2.16 0.29 0.00 0.02 0.00 0.00 61.00 64.04 2b8q s PRO 42 Cb -0.16 -3.20 1.46 0.00 0.02 0.00 0.00 34.50 32.62 2b8q s PRO 42 CO 0.21 -0.45 1.92 -0.09 -0.33 0.00 0.00 177.00 178.25 2b8q h ARG 43 N 6.46 0.00 -0.02 5.54 2.43 -1.97 -1.40 114.38 125.42 2b8q h ARG 43 Ca -0.43 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 2b8q h ARG 43 Cb 1.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 2b8q h ARG 43 CO 0.86 0.00 -0.23 -0.97 -1.51 0.00 0.00 179.97 178.12 2b8q h ASN 44 N 0.00 -0.68 -0.92 -3.80 -0.00 -2.00 -0.71 115.58 107.46 2b8q h ASN 44 Ca 0.32 0.10 -0.01 0.00 -0.00 0.00 0.00 56.30 56.71 2b8q h ASN 44 Cb 1.38 0.29 -0.04 0.00 -0.00 0.00 0.00 38.32 39.94 2b8q h ASN 44 CO -0.00 -0.30 0.53 -0.07 -0.00 0.00 0.00 177.43 177.59 2b8q h LEU 45 N -0.35 1.13 -0.28 0.34 4.07 -1.64 -2.16 115.31 116.42 2b8q h LEU 45 Ca 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2b8q h LEU 45 Cb 0.44 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2b8q h LEU 45 CO -0.22 0.89 0.18 0.40 -1.08 0.00 0.00 178.44 178.60 2b8q h ILE 46 N 1.28 1.09 -0.29 1.22 1.08 -1.31 0.10 117.51 120.69 2b8q h ILE 46 Ca 0.33 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.55 2b8q h ILE 46 Cb -0.01 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 2b8q h ILE 46 CO -0.06 0.09 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.13 2b8q h GLU 47 N 0.36 0.45 -0.19 2.37 5.08 -0.91 -0.30 114.58 121.43 2b8q h GLU 47 Ca 0.10 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2b8q h GLU 47 Cb -0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2b8q h GLU 47 CO -0.02 0.50 -0.34 1.96 -1.00 0.00 0.00 179.01 180.11 2b8q h GLN 48 N 0.43 0.57 -0.84 2.33 4.20 -1.04 0.29 115.11 121.04 2b8q h GLN 48 Ca 0.09 -0.35 0.04 0.00 0.06 0.00 0.00 58.65 58.49 2b8q h GLN 48 Cb 0.33 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 2b8q h GLN 48 CO 0.01 0.96 0.53 1.25 -0.67 0.00 0.00 178.83 180.91 2b8q h HIS 49 N 0.23 0.99 -0.51 2.96 2.76 -0.27 -2.45 115.15 118.86 2b8q h HIS 49 Ca 0.01 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 2b8q h HIS 49 Cb 0.93 -0.32 -0.09 0.00 1.55 0.00 0.00 27.41 29.47 2b8q h HIS 49 CO 0.09 0.54 0.12 0.66 -1.30 0.00 0.00 177.93 178.04 2b8q n TYR 50 N -4.59 1.68 -0.33 5.26 4.02 -0.17 -4.71 117.16 118.31 2b8q n TYR 50 Ca 0.11 -1.24 0.13 0.00 -0.01 0.00 0.00 57.90 56.89 2b8q n TYR 50 Cb 0.12 -0.54 0.34 0.00 -0.02 0.00 0.00 39.34 39.25 2b8q n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 2b8q h LYS 51 N 1.90 0.72 0.00 -0.72 2.10 0.09 0.18 116.57 120.85 2b8q h LYS 51 Ca 0.19 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2b8q h LYS 51 Cb 1.92 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 33.09 2b8q h LYS 51 CO 0.51 0.48 0.01 0.93 -2.00 0.00 0.00 179.45 179.38 2b8q h GLU 52 N 0.74 0.00 -0.33 0.07 5.08 -1.84 -0.58 114.58 117.73 2b8q h GLU 52 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2b8q h GLU 52 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2b8q h GLU 52 CO -0.32 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.41 2b8q n HIS 53 N -2.97 0.41 0.30 4.33 8.25 0.64 -4.57 115.22 121.61 2b8q n HIS 53 Ca -0.03 -0.21 0.13 0.00 -0.26 0.00 0.00 57.72 57.36 2b8q n HIS 53 Cb 0.08 0.00 0.72 0.00 1.12 0.00 0.00 29.99 31.91 2b8q n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2b8q h SER 54 N 4.49 0.00 0.26 0.41 4.64 -1.06 -0.76 113.55 121.54 2b8q h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b8q h SER 54 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2b8q h SER 54 CO 0.00 0.00 -0.84 -0.62 -0.87 0.00 0.00 176.83 174.50 2b8q n GLU 55 N -2.70 0.07 -2.85 4.77 4.71 -1.26 -4.96 120.64 118.41 2b8q n GLU 55 Ca -0.02 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.80 2b8q n GLU 55 Cb 0.36 -1.52 -0.07 0.00 -1.01 0.00 0.00 31.44 29.21 2b8q n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2b8q s GLN 56 N -3.05 4.16 0.26 3.49 -1.52 -0.29 -4.97 119.66 117.74 2b8q s GLN 56 Ca 0.08 1.02 -0.03 0.00 -1.95 0.00 0.00 55.36 54.47 2b8q s GLN 56 Cb 0.16 -2.22 0.38 0.00 -0.22 0.00 0.00 33.01 31.11 2b8q s GLN 56 CO 0.80 -0.01 1.87 0.66 -0.25 0.00 0.00 175.29 178.35 2b8q h SER 57 N 1.89 0.97 0.63 5.90 4.64 -1.93 -1.96 113.55 123.68 2b8q h SER 57 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2b8q h SER 57 Cb 1.18 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2b8q h SER 57 CO 0.62 0.62 0.00 0.00 -0.87 0.00 0.00 176.83 177.19 2b8q n TYR 58 N -4.55 0.00 -0.35 4.77 0.18 -1.26 -4.27 117.16 111.69 2b8q n TYR 58 Ca 0.14 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.06 2b8q n TYR 58 Cb 0.18 -0.39 0.32 0.00 -0.38 0.00 0.00 39.34 39.08 2b8q n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 2b8q h PHE 59 N 0.00 1.04 0.17 -3.48 3.04 -1.59 -1.70 116.94 114.42 2b8q h PHE 59 Ca 0.00 0.03 -0.32 0.00 3.98 0.00 0.00 57.97 61.67 2b8q h PHE 59 Cb 0.31 -0.31 0.01 0.00 2.56 0.00 0.00 35.95 38.52 2b8q h PHE 59 CO 0.00 0.21 -1.51 -0.91 -2.02 0.00 0.00 178.31 174.08 2b8q h ASN 60 N 0.73 0.55 -0.49 0.41 2.35 -1.81 -3.09 115.58 114.23 2b8q h ASN 60 Ca 0.58 -0.69 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 2b8q h ASN 60 Cb 0.93 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 2b8q h ASN 60 CO -0.40 1.56 0.07 0.44 -1.65 0.00 0.00 177.43 177.45 2b8q h ASP 61 N 0.10 0.84 -0.42 5.81 3.32 -1.80 -0.84 116.42 123.42 2b8q h ASP 61 Ca -0.25 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 2b8q h ASP 61 Cb 2.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 41.37 2b8q h ASP 61 CO 0.20 0.86 0.15 -1.13 -1.72 0.00 0.00 179.24 177.60 2b8q h ASN 62 N 0.83 0.65 -0.29 6.45 -0.00 -1.40 -1.35 115.58 120.47 2b8q h ASN 62 Ca 0.17 -0.09 -0.16 0.00 -0.00 0.00 0.00 56.30 56.22 2b8q h ASN 62 Cb 0.40 -0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 38.55 2b8q h ASN 62 CO 0.01 0.62 -0.44 0.00 -0.00 0.00 0.00 177.43 177.62 2b8q h ASP 64 N 0.58 0.06 0.10 0.00 3.32 -0.63 -2.61 116.42 117.24 2b8q h ASP 64 Ca 0.03 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2b8q h ASP 64 Cb 1.04 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2b8q h ASP 64 CO 0.10 0.07 -0.05 0.15 -1.72 0.00 0.00 179.24 177.79 2b8q h PHE 65 N 0.25 -0.13 0.00 4.55 3.04 -1.18 -2.50 116.94 120.97 2b8q h PHE 65 Ca 0.21 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.15 2b8q h PHE 65 Cb 0.24 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.79 2b8q h PHE 65 CO -0.19 0.07 0.10 -1.33 -2.02 0.00 0.00 178.31 174.94 2b8q n MET 66 N -5.07 0.09 -0.03 1.11 2.81 -0.36 -0.37 117.12 115.29 2b8q n MET 66 Ca -0.08 0.57 0.01 0.00 -1.81 0.00 0.00 57.70 56.39 2b8q n MET 66 Cb 0.15 -1.90 0.03 0.00 -0.71 0.00 0.00 33.22 30.78 2b8q n MET 66 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2b8q n VAL 67 N -2.00 1.06 1.01 2.03 0.24 -1.01 -4.63 118.33 115.02 2b8q n VAL 67 Ca -0.01 -1.07 0.14 0.00 -2.04 0.00 0.00 64.34 61.36 2b8q n VAL 67 Cb 0.12 0.46 0.61 0.00 -1.47 0.00 0.00 33.84 33.56 2b8q n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2b8q n SER 68 N -0.39 0.00 -0.79 -1.34 3.41 0.50 -4.83 113.62 110.18 2b8q n SER 68 Ca 0.03 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2b8q n SER 68 Cb 0.30 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2b8q n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b8q n GLY 69 N 1.35 1.85 3.79 5.00 0.00 -1.26 -5.09 105.19 110.84 2b8q n GLY 69 Ca 0.08 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2b8q n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b8q s PRO 70 N -1.36 1.68 0.05 1.61 0.02 -1.14 -4.47 135.00 131.39 2b8q s PRO 70 Ca 0.00 0.50 -0.19 0.00 0.02 0.00 0.00 61.00 61.33 2b8q s PRO 70 Cb 0.00 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.68 2b8q s PRO 70 CO 0.00 -1.87 0.44 0.96 -0.33 0.00 0.00 177.00 176.20 2b8q s ILE 71 N -3.20 0.05 -0.11 2.83 -4.36 -0.21 -3.11 121.20 113.09 2b8q s ILE 71 Ca 0.62 -0.40 0.03 0.00 -0.26 0.00 0.00 60.65 60.63 2b8q s ILE 71 Cb -0.15 -0.96 0.01 0.00 1.25 0.00 0.00 42.46 42.61 2b8q s ILE 71 CO 0.54 -0.22 -0.19 -0.63 0.24 0.00 0.00 174.94 174.68 2b8q s ILE 72 N -2.52 1.71 -0.20 8.37 1.01 -0.99 -0.74 121.20 127.85 2b8q s ILE 72 Ca -0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 2b8q s ILE 72 Cb -0.01 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2b8q s ILE 72 CO -0.03 0.48 0.12 -0.94 0.00 0.00 0.00 174.94 174.57 2b8q s SER 73 N 0.74 6.09 0.04 3.58 1.04 -0.57 -0.44 113.70 124.18 2b8q s SER 73 Ca -0.11 0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.56 2b8q s SER 73 Cb -0.16 -2.06 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 2b8q s SER 73 CO 0.02 0.18 -0.13 -0.63 0.98 0.00 0.00 173.24 173.66 2b8q s ILE 74 N 0.36 1.00 -0.32 -1.02 1.01 0.12 -1.26 121.20 121.10 2b8q s ILE 74 Ca 0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 2b8q s ILE 74 Cb -0.11 -0.92 0.07 0.00 0.01 0.00 0.00 42.46 41.50 2b8q s ILE 74 CO -0.02 -0.05 0.03 -0.69 0.00 0.00 0.00 174.94 174.22 2b8q s VAL 75 N -0.89 2.89 0.33 2.92 1.01 -0.52 -0.36 120.40 125.78 2b8q s VAL 75 Ca 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 61.98 60.33 2b8q s VAL 75 Cb -0.08 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2b8q s VAL 75 CO 0.01 -0.25 0.56 -0.31 0.00 0.00 0.00 175.10 175.11 2b8q s TYR 76 N 1.18 3.50 -0.01 5.22 1.51 -0.22 -0.69 117.35 127.85 2b8q s TYR 76 Ca -0.02 0.48 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 2b8q s TYR 76 Cb -0.20 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 2b8q s TYR 76 CO -0.03 0.12 -0.00 -2.00 -1.11 0.00 0.00 175.55 172.53 2b8q s GLU 77 N -4.03 0.08 0.00 -0.62 2.12 -0.22 -1.20 118.70 114.84 2b8q s GLU 77 Ca 0.42 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.75 2b8q s GLU 77 Cb -0.10 -0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.16 2b8q s GLU 77 CO 0.34 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 2b8q n GLY 78 N 3.27 0.28 3.68 -1.50 0.00 -0.26 -2.05 105.19 108.62 2b8q n GLY 78 Ca -0.15 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2b8q n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b8q s THR 79 N -2.00 3.10 -1.45 2.61 2.01 -1.26 -1.65 115.64 117.00 2b8q s THR 79 Ca 0.00 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.37 2b8q s THR 79 Cb 0.00 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.26 2b8q s THR 79 CO 0.00 -0.01 0.69 -0.67 -0.69 0.00 0.00 174.62 173.94 2b8q n ASP 80 N 6.06 -5.15 -0.20 3.53 2.03 -0.93 -4.88 116.55 117.00 2b8q n ASP 80 Ca 0.17 -0.43 -0.02 0.00 0.52 0.00 0.00 54.79 55.02 2b8q n ASP 80 Cb 0.41 -4.17 0.08 0.00 -0.72 0.00 0.00 41.12 36.72 2b8q n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b8q h ALA 81 N 0.99 0.78 0.12 -1.67 0.00 -1.73 -2.20 119.26 115.54 2b8q h ALA 81 Ca -0.51 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.45 2b8q h ALA 81 Cb 1.34 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2b8q h ALA 81 CO 0.57 -0.05 -0.25 0.82 0.00 0.00 0.00 179.25 180.34 2b8q h ILE 82 N 0.56 0.45 0.00 0.00 2.04 -1.87 -0.61 117.51 118.08 2b8q h ILE 82 Ca 0.27 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.94 2b8q h ILE 82 Cb 0.20 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2b8q h ILE 82 CO -0.20 0.00 -0.92 0.77 0.00 0.00 0.00 178.15 177.81 2b8q h SER 83 N -0.45 0.00 -0.43 1.72 4.64 -1.85 -2.04 113.55 115.13 2b8q h SER 83 Ca 0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2b8q h SER 83 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2b8q h SER 83 CO -0.14 0.92 -0.04 0.11 -0.87 0.00 0.00 176.83 176.81 2b8q h LYS 84 N 0.00 0.78 -0.01 4.77 1.79 -1.33 0.21 116.57 122.79 2b8q h LYS 84 Ca -0.01 -0.27 -0.13 0.00 -2.18 0.00 0.00 60.65 58.06 2b8q h LYS 84 Cb 1.71 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.28 2b8q h LYS 84 CO 0.12 0.87 -0.60 0.82 -1.08 0.00 0.00 179.45 179.58 2b8q h ILE 85 N 0.62 1.43 -0.52 1.86 2.04 -1.16 -0.50 117.51 121.27 2b8q h ILE 85 Ca 0.12 -2.06 -0.09 0.00 1.00 0.00 0.00 64.86 63.83 2b8q h ILE 85 Cb 0.54 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2b8q h ILE 85 CO 0.03 0.59 -0.01 -0.09 0.00 0.00 0.00 178.15 178.67 2b8q h ARG 86 N 0.01 0.93 -0.34 2.37 1.12 -0.88 -0.60 114.38 117.00 2b8q h ARG 86 Ca -0.01 -0.30 -0.11 0.00 -1.11 0.00 0.00 59.98 58.45 2b8q h ARG 86 Cb 1.07 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 2b8q h ARG 86 CO 0.08 0.96 -0.24 0.00 -3.11 0.00 0.00 179.97 177.66 2b8q h ARG 87 N 0.80 0.67 -0.76 0.20 3.08 -0.31 -1.62 114.38 116.45 2b8q h ARG 87 Ca 0.15 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2b8q h ARG 87 Cb 0.54 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2b8q h ARG 87 CO 0.03 0.85 0.27 1.25 -1.07 0.00 0.00 179.97 181.29 2b8q h LEU 88 N 0.59 1.08 -0.48 3.04 5.85 -0.77 -2.47 115.31 122.14 2b8q h LEU 88 Ca 0.08 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2b8q h LEU 88 Cb 0.72 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2b8q h LEU 88 CO 0.06 0.98 0.21 -0.61 -0.34 0.00 0.00 178.44 178.73 2b8q h GLN 89 N 1.12 0.71 0.00 1.25 4.15 -0.74 0.34 115.11 121.93 2b8q h GLN 89 Ca 0.25 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2b8q h GLN 89 Cb 0.27 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2b8q h GLN 89 CO -0.01 0.62 0.00 0.41 -1.93 0.00 0.00 178.83 177.91 2b8q n GLY 90 N -0.84 0.94 3.25 2.39 0.00 -0.64 -1.87 105.19 108.41 2b8q n GLY 90 Ca 0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 2b8q n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b8q s ASN 91 N -4.00 0.47 0.00 1.61 2.20 -1.26 -4.75 114.94 109.21 2b8q s ASN 91 Ca 0.00 -1.44 0.13 0.00 -0.94 0.00 0.00 52.86 50.60 2b8q s ASN 91 Cb 0.00 0.44 0.73 0.00 -2.00 0.00 0.00 41.25 40.42 2b8q s ASN 91 CO 0.00 -0.92 1.22 2.30 -2.94 0.00 0.00 177.10 176.76 2b8q n ILE 92 N -0.36 0.15 0.74 0.54 -5.35 -1.26 -1.62 119.36 112.20 2b8q n ILE 92 Ca 0.03 0.04 0.08 0.00 -0.27 0.00 0.00 62.75 62.62 2b8q n ILE 92 Cb 0.65 -0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 37.64 2b8q n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2b8q n LEU 93 N -1.06 0.90 -4.12 7.28 4.77 -1.26 -4.71 117.00 118.79 2b8q n LEU 93 Ca 0.09 -0.54 -0.36 0.00 -0.03 0.00 0.00 56.01 55.16 2b8q n LEU 93 Cb 0.06 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 2b8q n LEU 93 CO 0.08 0.21 -0.15 -0.89 -1.33 0.00 0.00 177.39 175.31 2b8q s THR 94 N -2.39 3.38 0.65 -5.08 2.01 -1.01 -5.04 115.64 108.16 2b8q s THR 94 Ca 0.07 -2.10 -0.18 0.00 0.31 0.00 0.00 61.69 59.80 2b8q s THR 94 Cb 0.12 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2b8q s THR 94 CO 0.61 -0.71 1.18 -2.65 -0.69 0.00 0.00 174.62 172.35 2b8q n PRO 95 N 4.55 0.97 0.00 4.92 -0.02 -1.26 -2.86 135.00 141.30 2b8q n PRO 95 Ca -0.02 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2b8q n PRO 95 Cb 0.41 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2b8q n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b8q n GLY 96 N 1.03 2.60 3.98 -1.23 0.00 -1.26 -4.94 105.19 105.36 2b8q n GLY 96 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 2b8q n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2b8q s THR 97 N -2.50 2.78 0.09 2.61 -4.23 -1.13 -4.93 115.64 108.33 2b8q s THR 97 Ca 0.00 -1.10 -0.25 0.00 -1.18 0.00 0.00 61.69 59.16 2b8q s THR 97 Cb 0.00 -2.88 -0.15 0.00 1.34 0.00 0.00 72.50 70.80 2b8q s THR 97 CO 0.00 0.00 1.72 0.40 -0.54 0.00 0.00 174.62 176.20 2b8q h ILE 98 N 0.69 0.86 -0.11 2.99 2.04 -0.97 -0.40 117.51 122.61 2b8q h ILE 98 Ca -0.39 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.32 2b8q h ILE 98 Cb 1.28 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2b8q h ILE 98 CO 0.48 0.00 -0.56 0.03 0.00 0.00 0.00 178.15 178.10 2b8q h ARG 99 N -0.18 0.33 -0.24 2.37 3.08 -1.61 -0.81 114.38 117.32 2b8q h ARG 99 Ca -0.02 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 2b8q h ARG 99 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2b8q h ARG 99 CO 0.02 0.80 -0.09 0.78 -1.07 0.00 0.00 179.97 180.41 2b8q h GLY 100 N 1.32 0.41 0.49 0.04 0.00 -1.01 -0.99 103.07 103.32 2b8q h GLY 100 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 47.33 46.73 2b8q h GLY 100 CO 0.09 0.24 -2.08 1.22 0.00 0.00 0.00 176.54 176.01 2b8q n ASP 101 N -4.26 1.39 -0.01 0.19 8.00 -0.19 -4.37 116.55 117.30 2b8q n ASP 101 Ca 0.00 0.16 0.04 0.00 0.71 0.00 0.00 54.79 55.70 2b8q n ASP 101 Cb 0.27 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 41.05 2b8q n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2b8q n LEU 102 N -3.19 0.00 -4.84 0.64 4.77 -0.32 -5.05 117.00 109.01 2b8q n LEU 102 Ca -0.31 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.46 2b8q n LEU 102 Cb 1.06 0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 42.15 2b8q n LEU 102 CO 0.40 0.04 -0.12 0.00 -1.33 0.00 0.00 177.39 176.38 2b8q s ALA 103 N -2.72 3.72 0.00 -1.18 0.00 -0.38 -5.02 121.76 116.18 2b8q s ALA 103 Ca -0.04 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 50.44 2b8q s ALA 103 Cb 0.07 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 22.01 2b8q s ALA 103 CO 0.47 0.13 1.00 -1.71 0.00 0.00 0.00 175.76 175.66 2b8q n ASN 104 N -1.28 -0.57 -4.08 0.00 5.15 -1.26 -4.72 115.26 108.50 2b8q n ASN 104 Ca -0.05 -1.94 -0.08 0.00 -0.60 0.00 0.00 54.58 51.91 2b8q n ASN 104 Cb 0.59 0.17 -0.10 0.00 -0.53 0.00 0.00 39.78 39.90 2b8q n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2b8q s ASP 105 N -1.11 0.55 0.39 1.20 -1.08 -1.26 -5.04 116.67 110.32 2b8q s ASP 105 Ca 0.06 -0.87 0.21 0.00 -0.52 0.00 0.00 52.55 51.43 2b8q s ASP 105 Cb 0.07 0.15 0.54 0.00 -1.46 0.00 0.00 42.92 42.23 2b8q s ASP 105 CO -0.03 -0.49 1.66 0.16 0.52 0.00 0.00 175.17 176.99 2b8q h ILE 106 N 3.51 0.54 0.00 4.11 3.07 -2.02 -3.39 117.51 123.34 2b8q h ILE 106 Ca -0.34 -1.45 -0.21 0.00 1.55 0.00 0.00 64.86 64.41 2b8q h ILE 106 Cb 1.16 2.02 -0.03 0.00 -0.27 0.00 0.00 36.82 39.70 2b8q h ILE 106 CO 0.59 0.27 -1.71 -1.14 -1.05 0.00 0.00 178.15 175.10 2b8q n ARG 107 N -3.27 0.28 -2.91 0.16 0.63 -1.26 -4.80 116.66 105.50 2b8q n ARG 107 Ca 0.01 0.10 -0.44 0.00 -0.92 0.00 0.00 57.85 56.61 2b8q n ARG 107 Cb 0.55 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.40 2b8q n ARG 107 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2b8q n GLU 108 N -3.34 3.39 -0.76 -0.14 1.02 -1.26 -4.75 120.64 114.80 2b8q n GLU 108 Ca -0.24 -3.83 -0.03 0.00 -0.02 0.00 0.00 57.16 53.04 2b8q n GLU 108 Cb 0.70 -3.03 0.21 0.00 -0.02 0.00 0.00 31.44 29.29 2b8q n GLU 108 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2b8q n ASN 109 N 5.52 2.83 0.00 1.62 0.23 -1.26 -4.14 115.26 120.06 2b8q n ASN 109 Ca 0.37 -3.61 0.00 0.00 -0.53 0.00 0.00 54.58 50.81 2b8q n ASN 109 Cb 0.42 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 2b8q n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2b8q n LEU 110 N -1.01 0.00 -3.74 -4.53 4.77 -1.26 -4.81 117.00 106.42 2b8q n LEU 110 Ca 0.32 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.17 2b8q n LEU 110 Cb 1.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.05 2b8q n LEU 110 CO 0.21 0.00 0.05 -0.51 -1.33 0.00 0.00 177.39 175.81 2b8q s ILE 111 N 0.00 0.05 -0.02 -0.08 2.07 -1.26 -0.86 121.20 121.11 2b8q s ILE 111 Ca 0.00 -0.45 0.07 0.00 -1.41 0.00 0.00 60.65 58.86 2b8q s ILE 111 Cb 0.00 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 2b8q s ILE 111 CO 0.00 -0.25 -0.23 -2.28 -1.91 0.00 0.00 174.94 170.27 2b8q s HIS 112 N -1.39 2.07 -0.02 3.50 5.65 -0.64 -4.97 115.29 119.48 2b8q s HIS 112 Ca -0.13 -0.39 -0.01 0.00 0.25 0.00 0.00 55.06 54.78 2b8q s HIS 112 Cb -0.05 -1.33 0.02 0.00 -1.18 0.00 0.00 32.58 30.04 2b8q s HIS 112 CO 0.04 -0.03 0.05 0.00 -0.65 0.00 0.00 174.74 174.15 2b8q s ALA 113 N -0.55 -0.04 0.29 1.58 0.00 -1.26 -1.34 121.76 120.44 2b8q s ALA 113 Ca 0.09 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 2b8q s ALA 113 Cb -0.09 -0.20 -0.14 0.00 0.00 0.00 0.00 23.12 22.70 2b8q s ALA 113 CO -0.01 -0.08 1.18 0.43 0.00 0.00 0.00 175.76 177.29 2b8q n SER 114 N 3.72 2.03 -1.06 0.00 7.64 -0.97 -4.91 113.62 120.08 2b8q n SER 114 Ca -0.21 1.18 0.11 0.00 1.01 0.00 0.00 58.87 60.96 2b8q n SER 114 Cb 0.54 -1.37 0.19 0.00 -1.01 0.00 0.00 64.21 62.56 2b8q n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2b8q n ASP 115 N 1.32 3.30 -3.68 6.43 5.68 -1.26 -4.70 116.55 123.64 2b8q n ASP 115 Ca 0.09 -1.96 -0.03 0.00 -0.50 0.00 0.00 54.79 52.39 2b8q n ASP 115 Cb 0.32 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 2b8q n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2b8q s SER 116 N -1.47 -0.16 0.21 -1.12 1.04 -1.26 -4.96 113.70 105.97 2b8q s SER 116 Ca 0.35 -0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.42 2b8q s SER 116 Cb 0.21 0.37 0.16 0.00 0.10 0.00 0.00 66.02 66.86 2b8q s SER 116 CO 0.29 -0.66 1.88 -0.33 0.98 0.00 0.00 173.24 175.40 2b8q h GLU 117 N 2.00 1.01 -0.45 4.02 5.08 -1.97 0.05 114.58 124.32 2b8q h GLU 117 Ca -0.25 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 2b8q h GLU 117 Cb 1.22 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2b8q h GLU 117 CO 0.27 0.67 0.05 -0.44 -1.00 0.00 0.00 179.01 178.56 2b8q h ASP 118 N 1.04 0.73 -0.68 1.42 3.32 -1.99 -1.94 116.42 118.31 2b8q h ASP 118 Ca 0.28 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2b8q h ASP 118 Cb -0.11 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2b8q h ASP 118 CO -0.06 0.82 0.34 0.28 -1.72 0.00 0.00 179.24 178.90 2b8q h SER 119 N 0.62 0.89 0.91 6.45 0.02 -1.86 -1.90 113.55 118.68 2b8q h SER 119 Ca 0.13 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2b8q h SER 119 Cb 0.41 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2b8q h SER 119 CO 0.01 0.76 -0.44 0.00 -1.14 0.00 0.00 176.83 176.03 2b8q h ALA 120 N 1.16 -1.26 -0.89 3.77 0.00 -0.84 0.26 119.26 121.46 2b8q h ALA 120 Ca 0.24 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 55.09 2b8q h ALA 120 Cb 0.10 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 2b8q h ALA 120 CO -0.03 -1.17 0.40 0.28 0.00 0.00 0.00 179.25 178.73 2b8q h VAL 121 N -1.29 0.51 -0.09 0.00 2.07 -1.34 0.46 116.25 116.56 2b8q h VAL 121 Ca -0.13 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2b8q h VAL 121 Cb 0.94 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2b8q h VAL 121 CO 0.21 0.08 -0.18 -0.78 0.02 0.00 0.00 177.57 176.91 2b8q h ASP 122 N 0.44 0.32 -0.56 0.57 3.58 -1.21 -2.69 116.42 116.86 2b8q h ASP 122 Ca 0.55 -0.56 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 2b8q h ASP 122 Cb 1.00 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 2b8q h ASP 122 CO -0.50 0.82 0.12 -0.33 -2.88 0.00 0.00 179.24 176.47 2b8q h GLU 123 N -0.16 0.91 -0.92 0.28 5.08 0.58 -2.21 114.58 118.13 2b8q h GLU 123 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2b8q h GLU 123 Cb 0.76 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 2b8q h GLU 123 CO 0.04 0.86 0.58 0.82 -1.00 0.00 0.00 179.01 180.31 2b8q h ILE 124 N 0.81 1.25 -0.60 3.13 2.04 -0.19 -1.62 117.51 122.33 2b8q h ILE 124 Ca 0.17 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2b8q h ILE 124 Cb 0.37 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2b8q h ILE 124 CO 0.00 0.25 0.25 0.28 0.00 0.00 0.00 178.15 178.94 2b8q h SER 125 N 1.26 0.78 -0.10 1.72 0.02 -1.19 0.26 113.55 116.30 2b8q h SER 125 Ca 0.33 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2b8q h SER 125 Cb -0.09 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 2b8q h SER 125 CO -0.07 0.69 0.03 0.40 -1.14 0.00 0.00 176.83 176.75 2b8q h ILE 126 N 0.85 1.17 0.00 3.27 2.04 -0.69 -2.73 117.51 121.42 2b8q h ILE 126 Ca 0.21 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2b8q h ILE 126 Cb 0.14 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2b8q h ILE 126 CO -0.02 0.15 -0.65 -0.50 0.00 0.00 0.00 178.15 177.13 2b8q h TRP 127 N -0.02 0.00 -2.07 1.37 4.06 -1.21 -3.38 115.95 114.70 2b8q h TRP 127 Ca 0.03 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.45 2b8q h TRP 127 Cb 0.21 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 27.97 2b8q h TRP 127 CO -0.00 0.00 -1.03 1.19 -3.56 0.00 0.00 178.44 175.04 2b8q n PHE 128 N -2.49 1.01 -0.23 0.49 3.72 0.89 -4.95 117.46 115.90 2b8q n PHE 128 Ca 0.02 -3.82 0.30 0.00 -0.05 0.00 0.00 57.45 53.90 2b8q n PHE 128 Cb 0.50 -0.43 0.71 0.00 -0.94 0.00 0.00 39.48 39.32 2b8q n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2b8q h PRO 129 N 3.35 0.04 -1.86 -1.08 0.13 -1.67 -1.10 132.00 129.82 2b8q h PRO 129 Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2b8q h PRO 129 Cb 0.84 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2b8q h PRO 129 CO 0.57 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.52 2b8q n GLU 130 N -4.28 0.49 0.00 0.86 0.00 -1.26 -5.05 120.64 111.40 2b8q n GLU 130 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.37 2b8q n GLU 130 Cb 1.03 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 31.21 2b8q n GLU 130 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38