#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8q s LEU 1 N 0.00 3.71 0.09 0.99 1.43 -1.26 -2.97 118.68 120.67 2b8q s LEU 1 Ca 0.00 2.60 -0.09 0.00 -1.03 0.00 0.00 54.13 55.61 2b8q s LEU 1 Cb 0.00 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.74 2b8q s LEU 1 CO 0.00 -1.72 0.21 -1.10 0.23 0.00 0.00 176.35 173.97 2b8q s GLN 2 N -3.18 0.87 -0.02 1.70 -0.21 -0.77 -4.86 119.66 113.20 2b8q s GLN 2 Ca 0.77 -0.95 0.04 0.00 0.02 0.00 0.00 55.36 55.24 2b8q s GLN 2 Cb -0.36 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.99 2b8q s GLN 2 CO 0.41 -0.28 -0.13 1.03 -2.12 0.00 0.00 175.29 174.19 2b8q s ARG 3 N -3.86 1.14 0.18 2.91 1.81 -1.26 -1.90 118.95 117.97 2b8q s ARG 3 Ca 0.05 -0.47 0.03 0.00 -1.72 0.00 0.00 55.73 53.63 2b8q s ARG 3 Cb 0.05 -1.08 -0.05 0.00 -0.45 0.00 0.00 34.95 33.42 2b8q s ARG 3 CO -0.11 0.26 -0.03 -0.08 -0.68 0.00 0.00 175.30 174.66 2b8q s THR 4 N -0.20 0.92 -0.15 0.02 -1.32 -0.04 -4.77 115.64 110.10 2b8q s THR 4 Ca 0.03 -2.02 -0.05 0.00 -1.21 0.00 0.00 61.69 58.45 2b8q s THR 4 Cb -0.06 -2.09 -0.03 0.00 -1.51 0.00 0.00 72.50 68.80 2b8q s THR 4 CO -0.00 -0.52 0.00 -0.22 -2.21 0.00 0.00 174.62 171.67 2b8q s LEU 5 N -3.20 3.52 0.00 9.08 2.96 -1.26 -1.38 118.68 128.39 2b8q s LEU 5 Ca 0.23 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 2b8q s LEU 5 Cb 0.05 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 2b8q s LEU 5 CO 0.04 0.22 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.37 2b8q s VAL 6 N 0.08 1.86 -0.12 1.68 1.01 0.17 -2.16 120.40 122.91 2b8q s VAL 6 Ca 0.02 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2b8q s VAL 6 Cb -0.13 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2b8q s VAL 6 CO 0.02 0.45 -0.21 -0.76 0.00 0.00 0.00 175.10 174.60 2b8q s LEU 7 N -0.76 2.00 -0.37 3.92 1.43 -0.23 0.61 118.68 125.27 2b8q s LEU 7 Ca 0.09 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 2b8q s LEU 7 Cb -0.09 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.81 2b8q s LEU 7 CO 0.00 0.09 0.48 -0.63 0.23 0.00 0.00 176.35 176.52 2b8q s ILE 8 N 0.69 5.04 0.68 -0.59 -1.09 0.12 -1.22 121.20 124.83 2b8q s ILE 8 Ca -0.11 0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.31 2b8q s ILE 8 Cb -0.16 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 2b8q s ILE 8 CO 0.02 -0.27 1.06 -0.54 -1.23 0.00 0.00 174.94 173.99 2b8q s LYS 9 N 2.30 2.95 0.38 2.79 1.02 0.15 -2.02 119.74 127.32 2b8q s LYS 9 Ca 0.16 1.05 0.14 0.00 0.02 0.00 0.00 55.97 57.35 2b8q s LYS 9 Cb -0.16 -1.99 0.99 0.00 -0.52 0.00 0.00 37.83 36.15 2b8q s LYS 9 CO 0.14 -1.09 1.82 -1.35 -0.92 0.00 0.00 175.35 173.94 2b8q h PRO 10 N -0.46 0.49 0.00 -1.68 0.11 -1.83 0.19 132.00 128.82 2b8q h PRO 10 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2b8q h PRO 10 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2b8q h PRO 10 CO 0.56 0.33 -0.20 0.38 -0.21 0.00 0.00 178.00 178.86 2b8q h ASP 11 N 0.51 0.00 -0.81 -2.05 2.03 -1.91 -1.10 116.42 113.09 2b8q h ASP 11 Ca 0.52 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.78 2b8q h ASP 11 Cb 1.16 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.62 2b8q h ASP 11 CO -0.25 0.20 0.33 0.00 -1.03 0.00 0.00 179.24 178.49 2b8q h ALA 12 N 1.80 1.06 -0.18 4.15 0.00 -1.21 -0.42 119.26 124.46 2b8q h ALA 12 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 2b8q h ALA 12 Cb 0.38 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2b8q h ALA 12 CO 0.03 0.67 -0.58 0.74 0.00 0.00 0.00 179.25 180.11 2b8q h PHE 13 N 1.17 0.92 -0.74 0.00 -1.00 -1.38 0.75 116.94 116.67 2b8q h PHE 13 Ca 0.27 -0.37 0.04 0.00 2.81 0.00 0.00 57.97 60.72 2b8q h PHE 13 Cb 0.20 -0.16 -0.05 0.00 3.61 0.00 0.00 35.95 39.56 2b8q h PHE 13 CO 0.02 1.18 0.45 1.49 -1.61 0.00 0.00 178.31 179.84 2b8q h GLU 14 N 0.40 0.83 -0.54 1.51 4.22 -0.90 -2.44 114.58 117.66 2b8q h GLU 14 Ca -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.37 2b8q h GLU 14 Cb 1.20 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2b8q h GLU 14 CO 0.12 0.55 0.00 0.54 -2.18 0.00 0.00 179.01 178.04 2b8q n ARG 15 N -4.68 2.42 -3.78 1.92 1.74 -0.19 -4.96 116.66 109.13 2b8q n ARG 15 Ca 0.09 -1.87 -0.24 0.00 -0.77 0.00 0.00 57.85 55.06 2b8q n ARG 15 Cb 0.13 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 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 0.88 -1.99 -0.33 0.55 7.64 -0.84 -4.91 113.62 114.63 2b8q n SER 16 Ca 0.17 -0.83 0.03 0.00 1.01 0.00 0.00 58.87 59.26 2b8q n SER 16 Cb 0.50 -3.92 0.06 0.00 -1.01 0.00 0.00 64.21 59.84 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 -4.39 2.05 -0.02 -3.43 4.77 0.20 -4.78 117.00 111.41 2b8q n LEU 17 Ca -0.22 -1.49 -0.10 0.00 -0.03 0.00 0.00 56.01 54.18 2b8q n LEU 17 Cb 0.64 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2b8q n LEU 17 CO 0.71 0.48 0.66 0.58 -1.33 0.00 0.00 177.39 178.48 2b8q h VAL 18 N 1.28 0.31 -0.45 4.08 2.07 -1.91 -0.49 116.25 121.14 2b8q h VAL 18 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2b8q h VAL 18 Cb 0.46 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2b8q h VAL 18 CO 0.00 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.81 2b8q h ALA 19 N 0.52 0.58 -0.41 1.67 0.00 -1.94 -0.93 119.26 118.75 2b8q h ALA 19 Ca 0.11 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2b8q h ALA 19 Cb 0.53 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 2b8q h ALA 19 CO -0.37 0.14 -0.18 1.49 0.00 0.00 0.00 179.25 180.33 2b8q h GLU 20 N 0.59 -0.10 -0.14 0.00 4.57 -1.74 0.46 114.58 118.22 2b8q h GLU 20 Ca 0.16 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2b8q h GLU 20 Cb 0.11 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2b8q h GLU 20 CO -0.02 -0.06 0.05 0.82 -1.18 0.00 0.00 179.01 178.62 2b8q h ILE 21 N -0.10 1.16 -0.30 2.32 2.04 -0.81 -2.74 117.51 119.08 2b8q h ILE 21 Ca 0.20 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 2b8q h ILE 21 Cb 0.41 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2b8q h ILE 21 CO -0.48 0.15 0.02 0.24 0.00 0.00 0.00 178.15 178.07 2b8q h MET 22 N 0.07 0.45 -0.73 2.37 2.86 -0.60 -2.75 114.93 116.61 2b8q h MET 22 Ca 0.05 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2b8q h MET 22 Cb 0.18 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2b8q h MET 22 CO -0.00 0.47 0.31 0.78 1.06 0.00 0.00 176.91 179.52 2b8q h GLY 23 N 0.75 1.14 1.35 8.32 0.00 0.14 -0.48 103.07 114.30 2b8q h GLY 23 Ca 0.10 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 2b8q h GLY 23 CO 0.01 0.56 -0.11 3.21 0.00 0.00 0.00 176.54 180.21 2b8q h ARG 24 N 1.05 0.77 -0.25 4.80 3.08 -1.20 0.22 114.38 122.84 2b8q h ARG 24 Ca 0.25 -0.25 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2b8q h ARG 24 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2b8q h ARG 24 CO -0.02 0.85 -0.59 0.82 -1.07 0.00 0.00 179.97 179.96 2b8q h ILE 25 N 0.70 1.28 -0.44 2.04 2.04 -1.45 -2.98 117.51 118.69 2b8q h ILE 25 Ca 0.12 -1.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.14 2b8q h ILE 25 Cb 0.58 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2b8q h ILE 25 CO 0.04 0.57 -0.00 -0.08 0.00 0.00 0.00 178.15 178.68 2b8q h GLU 26 N 0.60 0.73 0.00 2.37 4.81 -0.71 -2.58 114.58 119.80 2b8q h GLU 26 Ca -0.00 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2b8q h GLU 26 Cb 1.20 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2b8q h GLU 26 CO 0.13 0.74 -0.08 0.87 -0.73 0.00 0.00 179.01 179.94 2b8q h LYS 27 N 0.68 0.00 -0.60 1.92 1.79 -0.53 -1.77 116.57 118.05 2b8q h LYS 27 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2b8q h LYS 27 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2b8q h LYS 27 CO 0.02 0.08 0.00 1.17 -1.08 0.00 0.00 179.45 179.64 2b8q n LYS 28 N -3.26 2.46 -1.24 3.15 4.81 -0.98 -4.90 118.16 118.21 2b8q n LYS 28 Ca -0.00 -1.47 -0.08 0.00 -0.87 0.00 0.00 58.31 55.89 2b8q n LYS 28 Cb 0.31 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.70 2b8q n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2b8q n ASN 29 N 0.43 -3.99 -4.80 3.14 4.05 -0.67 -5.03 115.26 108.40 2b8q n ASN 29 Ca 0.13 0.20 -0.38 0.00 0.45 0.00 0.00 54.58 54.98 2b8q n ASN 29 Cb 0.54 -2.22 -0.06 0.00 1.23 0.00 0.00 39.78 39.27 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 -2.30 3.82 0.04 1.20 0.40 -1.17 -4.94 117.98 115.02 2b8q s PHE 30 Ca 0.00 1.48 -0.03 0.00 -0.60 0.00 0.00 56.93 57.78 2b8q s PHE 30 Cb 0.00 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2b8q s PHE 30 CO 0.00 0.49 0.23 0.15 0.70 0.00 0.00 175.22 176.79 2b8q s LYS 31 N -1.35 3.49 -0.24 0.44 3.01 -0.54 -4.53 119.74 120.01 2b8q s LYS 31 Ca 0.36 -0.29 -0.22 0.00 -1.01 0.00 0.00 55.97 54.81 2b8q s LYS 31 Cb -0.21 -3.04 -0.02 0.00 -1.01 0.00 0.00 37.83 33.56 2b8q s LYS 31 CO 0.23 0.62 0.68 0.42 0.51 0.00 0.00 175.35 177.82 2b8q s ILE 32 N -1.43 4.95 -0.18 2.17 1.01 -1.26 -0.50 121.20 125.97 2b8q s ILE 32 Ca 0.32 1.26 -0.14 0.00 0.00 0.00 0.00 60.65 62.08 2b8q s ILE 32 Cb -0.13 -3.98 -0.22 0.00 0.01 0.00 0.00 42.46 38.14 2b8q s ILE 32 CO 0.22 0.02 0.23 0.52 0.00 0.00 0.00 174.94 175.93 2b8q n VAL 33 N 5.13 1.64 -3.68 2.92 0.31 0.36 -4.96 118.33 120.04 2b8q n VAL 33 Ca 0.01 -0.32 -0.15 0.00 -0.01 0.00 0.00 64.34 63.87 2b8q n VAL 33 Cb 0.49 -1.89 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 2b8q n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2b8q s SER 34 N -6.96 -0.38 -0.11 4.52 1.04 -1.22 -5.01 113.70 105.57 2b8q s SER 34 Ca -0.27 0.44 -0.09 0.00 0.48 0.00 0.00 55.95 56.50 2b8q s SER 34 Cb 0.07 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2b8q s SER 34 CO 0.66 -0.44 0.28 -0.32 0.98 0.00 0.00 173.24 174.40 2b8q s MET 35 N -0.98 0.32 -0.02 4.02 0.00 -1.26 -1.08 119.30 120.30 2b8q s MET 35 Ca -0.10 0.41 0.02 0.00 0.00 0.00 0.00 55.69 56.02 2b8q s MET 35 Cb -0.03 0.14 0.00 0.00 0.00 0.00 0.00 34.83 34.94 2b8q s MET 35 CO 0.05 -0.05 -0.08 0.15 0.00 0.00 0.00 175.02 175.10 2b8q s LYS 36 N 0.24 0.75 -0.14 4.11 1.02 -0.32 -5.01 119.74 120.38 2b8q s LYS 36 Ca -0.01 -0.26 -0.05 0.00 0.02 0.00 0.00 55.97 55.68 2b8q s LYS 36 Cb -0.03 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 2b8q s LYS 36 CO -0.00 0.11 0.03 0.12 -0.92 0.00 0.00 175.35 174.69 2b8q s PHE 37 N 0.09 3.20 -0.24 3.18 5.36 -1.26 -1.28 117.98 127.02 2b8q s PHE 37 Ca -0.01 0.06 0.02 0.00 -0.96 0.00 0.00 56.93 56.03 2b8q s PHE 37 Cb -0.06 -1.96 0.06 0.00 -0.34 0.00 0.00 43.02 40.72 2b8q s PHE 37 CO 0.00 0.24 -0.07 -1.58 -1.46 0.00 0.00 175.22 172.35 2b8q s TRP 38 N -0.09 2.72 0.57 10.12 0.52 -0.43 -4.96 118.94 127.39 2b8q s TRP 38 Ca 0.05 -1.97 0.26 0.00 0.02 0.00 0.00 56.10 54.47 2b8q s TRP 38 Cb -0.12 -1.71 1.54 0.00 -1.15 0.00 0.00 33.47 32.03 2b8q s TRP 38 CO 0.02 -0.81 2.07 0.66 0.02 0.00 0.00 176.95 178.91 2b8q h SER 39 N 7.89 0.00 -0.86 2.95 4.64 -1.91 -1.99 113.55 124.27 2b8q h SER 39 Ca -0.18 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2b8q h SER 39 Cb 1.06 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.94 2b8q h SER 39 CO 0.43 0.00 -0.06 -0.75 -0.87 0.00 0.00 176.83 175.58 2b8q s LYS 40 N -4.78 0.40 0.37 4.77 2.20 -1.26 -3.25 119.74 118.19 2b8q s LYS 40 Ca -0.05 0.78 -0.27 0.00 -0.36 0.00 0.00 55.97 56.08 2b8q s LYS 40 Cb 0.16 0.44 -0.09 0.00 -1.51 0.00 0.00 37.83 36.84 2b8q s LYS 40 CO 0.61 -0.38 1.21 0.00 -0.36 0.00 0.00 175.35 176.43 2b8q s ALA 41 N 2.85 3.28 0.23 3.13 0.00 -1.26 -4.95 121.76 125.03 2b8q s ALA 41 Ca 0.08 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.80 2b8q s ALA 41 Cb -0.12 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 2b8q s ALA 41 CO -0.17 -0.55 1.62 -2.14 0.00 0.00 0.00 175.76 174.52 2b8q s PRO 42 N -2.06 4.16 0.25 0.00 0.02 -1.26 -4.84 135.00 131.26 2b8q s PRO 42 Ca 0.54 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.97 2b8q s PRO 42 Cb -0.34 -3.08 0.38 0.00 0.02 0.00 0.00 34.50 31.48 2b8q s PRO 42 CO 0.44 -0.65 1.59 -0.09 -0.33 0.00 0.00 177.00 177.96 2b8q h ARG 43 N 5.97 0.01 -0.35 5.54 9.65 -1.98 -1.20 114.38 132.01 2b8q h ARG 43 Ca -0.45 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.37 2b8q h ARG 43 Cb 1.21 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.77 2b8q h ARG 43 CO 0.87 0.01 -0.07 -2.95 2.80 0.00 0.00 179.97 180.63 2b8q h ASN 44 N 0.01 0.56 -0.38 -3.80 -1.07 -1.99 -0.95 115.58 107.96 2b8q h ASN 44 Ca 0.41 -0.14 -0.01 0.00 0.07 0.00 0.00 56.30 56.63 2b8q h ASN 44 Cb 0.65 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.73 2b8q h ASN 44 CO -0.84 0.68 0.18 0.25 0.07 0.00 0.00 177.43 177.77 2b8q h LEU 45 N 0.55 0.50 0.30 6.14 5.85 -1.60 0.20 115.31 127.24 2b8q h LEU 45 Ca 0.11 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2b8q h LEU 45 Cb 0.45 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2b8q h LEU 45 CO 0.02 0.49 -0.14 0.40 -0.34 0.00 0.00 178.44 178.87 2b8q h ILE 46 N 0.48 0.71 -0.97 4.05 1.08 -1.10 -0.22 117.51 121.54 2b8q h ILE 46 Ca 0.13 -0.05 0.11 0.00 -0.39 0.00 0.00 64.86 64.66 2b8q h ILE 46 Cb 0.12 0.74 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 2b8q h ILE 46 CO -0.02 0.01 0.60 -0.33 -0.69 0.00 0.00 178.15 177.73 2b8q h GLU 47 N -0.43 0.93 -0.53 2.37 5.08 -0.97 -0.77 114.58 120.27 2b8q h GLU 47 Ca -0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2b8q h GLU 47 Cb 0.33 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2b8q h GLU 47 CO 0.07 0.62 0.18 1.96 -1.00 0.00 0.00 179.01 180.84 2b8q h GLN 48 N 0.96 0.82 -0.55 2.33 4.20 -0.29 -0.26 115.11 122.33 2b8q h GLN 48 Ca 0.48 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 59.05 2b8q h GLN 48 Cb 0.46 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 2b8q h GLN 48 CO -0.26 0.74 0.31 1.25 -0.67 0.00 0.00 178.83 180.20 2b8q h HIS 49 N 0.73 0.59 -0.62 2.96 2.76 0.33 -2.65 115.15 119.25 2b8q h HIS 49 Ca 0.17 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 2b8q h HIS 49 Cb 0.25 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 2b8q h HIS 49 CO 0.01 0.32 0.11 0.66 -1.30 0.00 0.00 177.93 177.73 2b8q n TYR 50 N -4.80 2.15 -0.33 5.26 4.02 -0.54 -4.69 117.16 118.24 2b8q n TYR 50 Ca 0.05 -0.94 0.21 0.00 -0.01 0.00 0.00 57.90 57.21 2b8q n TYR 50 Cb 0.10 -0.57 0.43 0.00 -0.02 0.00 0.00 39.34 39.27 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 3.30 0.27 0.00 -0.72 2.10 -0.66 0.33 116.57 121.19 2b8q h LYS 51 Ca 0.11 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2b8q h LYS 51 Cb 2.09 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.36 2b8q h LYS 51 CO 0.57 0.18 0.00 0.39 -2.00 0.00 0.00 179.45 178.59 2b8q n GLU 52 N -5.11 0.03 0.00 0.07 1.02 -1.26 -1.56 120.64 113.82 2b8q n GLU 52 Ca 0.29 0.45 0.07 0.00 -0.02 0.00 0.00 57.16 57.96 2b8q n GLU 52 Cb 0.91 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.76 2b8q n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2b8q n HIS 53 N -1.65 0.00 0.19 -0.32 8.25 0.12 -4.72 115.22 117.09 2b8q n HIS 53 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2b8q n HIS 53 Cb 0.06 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.26 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 2.00 0.00 -0.01 0.41 4.64 -1.27 0.34 113.55 119.66 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 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2b8q h SER 54 CO 0.00 0.00 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.16 2b8q n GLU 55 N -1.92 1.53 -2.09 4.77 1.02 -1.26 -4.97 120.64 117.72 2b8q n GLU 55 Ca -0.00 -0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 55.86 2b8q n GLU 55 Cb 0.69 -1.23 -0.00 0.00 -0.02 0.00 0.00 31.44 30.88 2b8q n GLU 55 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2b8q s GLN 56 N -1.50 3.57 0.49 3.49 -1.52 0.12 -4.96 119.66 119.36 2b8q s GLN 56 Ca 0.13 0.98 0.31 0.00 -1.95 0.00 0.00 55.36 54.84 2b8q s GLN 56 Cb 0.11 -2.08 1.24 0.00 -0.22 0.00 0.00 33.01 32.07 2b8q s GLN 56 CO 0.28 -0.59 1.92 0.66 -0.25 0.00 0.00 175.29 177.31 2b8q h SER 57 N 0.32 0.00 0.18 5.90 4.64 -1.94 -2.93 113.55 119.72 2b8q h SER 57 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2b8q h SER 57 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2b8q h SER 57 CO 0.60 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 176.15 2b8q n TYR 58 N -2.94 0.00 -0.18 4.77 0.18 -1.26 -4.54 117.16 113.19 2b8q n TYR 58 Ca 0.01 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.77 2b8q n TYR 58 Cb 0.31 -0.10 0.08 0.00 -0.38 0.00 0.00 39.34 39.25 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 1.29 0.36 -0.21 -3.48 3.04 -1.77 -2.11 116.94 114.05 2b8q h PHE 59 Ca 0.00 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 2b8q h PHE 59 Cb 0.57 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 2b8q h PHE 59 CO 0.00 0.11 -0.19 -0.91 -2.02 0.00 0.00 178.31 175.30 2b8q h ASN 60 N 0.39 0.53 0.07 0.41 2.35 -1.82 -2.77 115.58 114.74 2b8q h ASN 60 Ca 0.27 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 2b8q h ASN 60 Cb 0.30 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2b8q h ASN 60 CO -0.26 0.89 -0.22 0.44 -1.65 0.00 0.00 177.43 176.62 2b8q h ASP 61 N 0.18 0.26 -0.21 5.81 3.32 -1.84 -1.62 116.42 122.33 2b8q h ASP 61 Ca 0.04 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2b8q h ASP 61 Cb 0.73 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2b8q h ASP 61 CO 0.05 0.50 -0.17 -1.13 -1.72 0.00 0.00 179.24 176.77 2b8q h ASN 62 N 0.25 0.63 -0.35 6.45 -0.00 -1.36 -0.47 115.58 120.72 2b8q h ASN 62 Ca 0.04 -0.19 -0.11 0.00 -0.00 0.00 0.00 56.30 56.04 2b8q h ASN 62 Cb 0.54 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.68 2b8q h ASN 62 CO 0.04 0.81 -0.21 0.00 -0.00 0.00 0.00 177.43 178.06 2b8q h ASP 64 N 0.55 0.28 -0.19 0.00 3.32 -0.94 -1.95 116.42 117.48 2b8q h ASP 64 Ca 0.07 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.15 2b8q h ASP 64 Cb 0.77 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2b8q h ASP 64 CO 0.06 0.20 0.08 0.15 -1.72 0.00 0.00 179.24 178.01 2b8q h PHE 65 N 0.37 0.15 0.00 4.55 3.04 -0.88 -1.10 116.94 123.07 2b8q h PHE 65 Ca 0.14 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2b8q h PHE 65 Cb 0.04 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.51 2b8q h PHE 65 CO -0.09 0.08 0.00 -1.33 -2.02 0.00 0.00 178.31 174.95 2b8q n MET 66 N -5.03 0.16 -0.00 1.11 2.81 0.09 -1.89 117.12 114.38 2b8q n MET 66 Ca -0.03 0.59 0.06 0.00 -1.81 0.00 0.00 57.70 56.51 2b8q n MET 66 Cb 0.06 -1.95 -0.08 0.00 -0.71 0.00 0.00 33.22 30.54 2b8q n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2b8q n VAL 67 N -2.28 0.00 0.56 2.03 0.31 -0.77 -4.55 118.33 113.63 2b8q n VAL 67 Ca -0.01 -0.20 0.06 0.00 -0.01 0.00 0.00 64.34 64.19 2b8q n VAL 67 Cb 0.09 0.93 0.31 0.00 -0.91 0.00 0.00 33.84 34.25 2b8q n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2b8q n SER 68 N -1.37 0.00 -2.19 4.52 3.41 -0.49 -4.73 113.62 112.77 2b8q n SER 68 Ca 0.02 0.21 -0.03 0.00 -0.26 0.00 0.00 58.87 58.81 2b8q n SER 68 Cb 0.22 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.20 1.10 3.67 5.00 0.00 -1.26 -5.09 105.19 108.40 2b8q n GLY 69 Ca 0.05 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.04 0.63 0.09 1.61 0.02 -1.20 -4.47 135.00 129.64 2b8q s PRO 70 Ca 0.11 0.77 -0.17 0.00 0.02 0.00 0.00 61.00 61.74 2b8q s PRO 70 Cb -0.02 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.79 2b8q s PRO 70 CO 0.04 -2.66 0.40 0.96 -0.33 0.00 0.00 177.00 175.42 2b8q s ILE 71 N -2.85 0.07 -0.09 2.83 -4.36 -0.75 -3.00 121.20 113.05 2b8q s ILE 71 Ca 0.65 -0.55 0.02 0.00 -0.26 0.00 0.00 60.65 60.52 2b8q s ILE 71 Cb -0.20 -1.08 0.01 0.00 1.25 0.00 0.00 42.46 42.45 2b8q s ILE 71 CO 0.58 -0.30 -0.16 -0.63 0.24 0.00 0.00 174.94 174.67 2b8q s ILE 72 N -3.23 1.48 -0.22 8.37 1.01 -0.85 -1.31 121.20 126.44 2b8q s ILE 72 Ca -0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 2b8q s ILE 72 Cb 0.01 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2b8q s ILE 72 CO -0.08 0.43 0.11 -0.94 0.00 0.00 0.00 174.94 174.47 2b8q s SER 73 N 0.71 5.76 0.04 3.58 1.04 -0.41 0.14 113.70 124.56 2b8q s SER 73 Ca -0.13 0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.39 2b8q s SER 73 Cb -0.16 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 2b8q s SER 73 CO 0.03 0.08 -0.16 -0.63 0.98 0.00 0.00 173.24 173.54 2b8q s ILE 74 N 0.98 1.26 -0.27 -1.02 1.01 0.20 -1.17 121.20 122.19 2b8q s ILE 74 Ca 0.06 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 2b8q s ILE 74 Cb -0.14 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.24 2b8q s ILE 74 CO 0.03 0.07 -0.03 -0.69 0.00 0.00 0.00 174.94 174.33 2b8q s VAL 75 N -0.81 3.02 0.05 2.92 1.01 -0.24 0.44 120.40 126.79 2b8q s VAL 75 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2b8q s VAL 75 Cb -0.08 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2b8q s VAL 75 CO 0.01 0.10 0.17 -0.31 0.00 0.00 0.00 175.10 175.07 2b8q s TYR 76 N 1.32 3.44 -0.02 5.22 1.51 -0.48 -0.48 117.35 127.86 2b8q s TYR 76 Ca -0.01 0.23 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 2b8q s TYR 76 Cb -0.18 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.94 2b8q s TYR 76 CO -0.03 0.59 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.94 2b8q s GLU 77 N -2.32 0.69 0.00 -0.62 2.12 0.35 -0.86 118.70 118.06 2b8q s GLU 77 Ca 0.31 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2b8q s GLU 77 Cb -0.13 -0.68 0.00 0.00 0.26 0.00 0.00 34.13 33.59 2b8q s GLU 77 CO 0.24 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 2b8q n GLY 78 N 3.40 -0.38 3.71 -1.50 0.00 -0.80 -1.47 105.19 108.16 2b8q n GLY 78 Ca -0.19 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 2.77 -1.32 2.61 2.01 -1.26 -1.85 115.64 116.60 2b8q s THR 79 Ca 0.00 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 2b8q s THR 79 Cb 0.00 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.20 2b8q s THR 79 CO 0.00 0.03 0.11 -0.67 -0.69 0.00 0.00 174.62 173.40 2b8q n ASP 80 N 4.32 -4.64 -0.18 3.53 4.64 -1.16 -4.88 116.55 118.18 2b8q n ASP 80 Ca 0.14 0.03 -0.03 0.00 -1.38 0.00 0.00 54.79 53.55 2b8q n ASP 80 Cb 0.39 -3.88 0.03 0.00 -1.04 0.00 0.00 41.12 36.63 2b8q n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2b8q h ALA 81 N 1.00 0.20 -0.43 -1.67 0.00 -1.76 -1.28 119.26 115.31 2b8q h ALA 81 Ca -0.38 0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2b8q h ALA 81 Cb 1.28 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 2b8q h ALA 81 CO 0.45 -0.54 0.05 0.82 0.00 0.00 0.00 179.25 180.04 2b8q h ILE 82 N -0.09 0.73 0.08 0.00 2.04 -1.89 -1.07 117.51 117.32 2b8q h ILE 82 Ca 0.26 -0.06 -0.28 0.00 1.00 0.00 0.00 64.86 65.77 2b8q h ILE 82 Cb 0.49 0.54 0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2b8q h ILE 82 CO -0.62 0.03 -1.17 -1.28 0.00 0.00 0.00 178.15 175.11 2b8q h SER 83 N 0.17 0.82 -0.27 1.72 0.87 -1.83 -3.08 113.55 111.96 2b8q h SER 83 Ca 0.21 -0.73 -0.05 0.00 -1.23 0.00 0.00 61.79 59.99 2b8q h SER 83 Cb 0.29 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2b8q h SER 83 CO -0.31 1.54 -0.03 0.11 -0.53 0.00 0.00 176.83 177.61 2b8q h LYS 84 N 0.28 0.49 0.00 2.24 1.79 -1.11 -1.95 116.57 118.31 2b8q h LYS 84 Ca -0.16 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.11 2b8q h LYS 84 Cb 1.84 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.45 2b8q h LYS 84 CO 0.22 0.68 -0.12 0.82 -1.08 0.00 0.00 179.45 179.97 2b8q h ILE 85 N 0.26 0.30 -0.16 1.86 2.04 -1.33 0.20 117.51 120.67 2b8q h ILE 85 Ca 0.07 -0.84 -0.22 0.00 1.00 0.00 0.00 64.86 64.87 2b8q h ILE 85 Cb 0.47 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2b8q h ILE 85 CO 0.02 0.11 -0.76 -0.09 0.00 0.00 0.00 178.15 177.43 2b8q h ARG 86 N 0.00 0.80 -0.47 2.37 1.12 -1.42 -1.02 114.38 115.75 2b8q h ARG 86 Ca -0.00 -0.65 -0.13 0.00 -1.11 0.00 0.00 59.98 58.09 2b8q h ARG 86 Cb 0.64 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.72 2b8q h ARG 86 CO 0.02 1.25 -0.21 0.00 -3.11 0.00 0.00 179.97 177.92 2b8q h ARG 87 N 0.54 0.97 -0.63 0.20 3.08 -0.86 -1.28 114.38 116.40 2b8q h ARG 87 Ca -0.05 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 2b8q h ARG 87 Cb 1.40 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 2b8q h ARG 87 CO 0.16 1.08 0.32 1.25 -1.07 0.00 0.00 179.97 181.71 2b8q h LEU 88 N 0.84 0.79 -0.02 3.04 5.85 -0.87 -1.85 115.31 123.08 2b8q h LEU 88 Ca 0.11 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2b8q h LEU 88 Cb 0.78 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2b8q h LEU 88 CO 0.07 0.66 0.00 -0.61 -0.34 0.00 0.00 178.44 178.22 2b8q h GLN 89 N 0.89 0.04 0.00 1.25 4.15 -0.85 -0.13 115.11 120.46 2b8q h GLN 89 Ca 0.22 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2b8q h GLN 89 Cb 0.06 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2b8q h GLN 89 CO -0.03 0.28 0.00 0.41 -1.93 0.00 0.00 178.83 177.56 2b8q n GLY 90 N -0.42 0.95 3.29 2.39 0.00 -0.51 -1.68 105.19 109.22 2b8q n GLY 90 Ca -0.07 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 1.43 0.00 1.61 2.20 -1.26 -4.73 114.94 110.18 2b8q s ASN 91 Ca 0.00 -1.25 0.07 0.00 -0.94 0.00 0.00 52.86 50.74 2b8q s ASN 91 Cb 0.00 0.09 0.41 0.00 -2.00 0.00 0.00 41.25 39.76 2b8q s ASN 91 CO 0.00 -0.60 0.82 2.30 -2.94 0.00 0.00 177.10 176.68 2b8q n ILE 92 N -0.37 0.00 -0.04 0.54 -5.35 -1.26 -2.04 119.36 110.84 2b8q n ILE 92 Ca -0.04 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.47 2b8q n ILE 92 Cb 0.64 -0.66 -0.16 0.00 -1.74 0.00 0.00 39.64 37.72 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 -0.83 0.00 -4.25 7.28 4.77 -1.26 -4.67 117.00 118.04 2b8q n LEU 93 Ca 0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.65 2b8q n LEU 93 Cb 0.02 0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 2b8q n LEU 93 CO 0.04 0.19 -0.20 0.42 -1.33 0.00 0.00 177.39 176.51 2b8q s THR 94 N -3.11 3.85 0.67 -5.08 -4.23 -1.04 -5.03 115.64 101.66 2b8q s THR 94 Ca -0.09 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 2b8q s THR 94 Cb 0.11 -3.28 -0.00 0.00 1.34 0.00 0.00 72.50 70.66 2b8q s THR 94 CO 0.87 -0.33 1.29 -2.65 -0.54 0.00 0.00 174.62 173.25 2b8q n PRO 95 N 4.82 1.02 0.00 3.99 -0.02 -1.26 -3.10 135.00 140.44 2b8q n PRO 95 Ca -0.11 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2b8q n PRO 95 Cb 0.44 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.89 2.89 4.01 -1.23 0.00 -1.26 -4.92 105.19 105.56 2b8q n GLY 96 Ca 0.16 0.00 -0.19 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 -2.66 2.64 0.09 2.61 -4.23 -1.18 -4.91 115.64 108.00 2b8q s THR 97 Ca 0.00 -0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 59.40 2b8q s THR 97 Cb 0.00 -2.75 -0.12 0.00 1.34 0.00 0.00 72.50 70.97 2b8q s THR 97 CO 0.00 0.00 1.68 0.40 -0.54 0.00 0.00 174.62 176.16 2b8q h ILE 98 N 0.30 1.09 -0.12 2.99 2.04 -0.96 -0.82 117.51 122.03 2b8q h ILE 98 Ca -0.38 -0.26 -0.21 0.00 1.00 0.00 0.00 64.86 65.01 2b8q h ILE 98 Cb 1.28 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2b8q h ILE 98 CO 0.45 0.08 -0.76 0.03 0.00 0.00 0.00 178.15 177.95 2b8q h ARG 99 N 0.08 0.63 -0.95 2.37 3.08 -1.57 -1.33 114.38 116.68 2b8q h ARG 99 Ca 0.04 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 2b8q h ARG 99 Cb 0.08 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 2b8q h ARG 99 CO -0.01 1.13 0.58 0.78 -1.07 0.00 0.00 179.97 181.38 2b8q h GLY 100 N 0.87 1.38 1.22 0.04 0.00 -1.32 0.11 103.07 105.38 2b8q h GLY 100 Ca -0.04 -0.57 -0.28 0.00 0.00 0.00 0.00 47.33 46.44 2b8q h GLY 100 CO 0.15 0.55 -1.54 -0.55 0.00 0.00 0.00 176.54 175.15 2b8q h ASP 101 N 1.31 0.04 -0.00 0.19 3.32 -1.16 -3.41 116.42 116.71 2b8q h ASP 101 Ca 0.34 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2b8q h ASP 101 Cb -0.06 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2b8q h ASP 101 CO -0.06 1.06 -0.08 0.18 -1.72 0.00 0.00 179.24 178.61 2b8q n LEU 102 N -3.16 0.34 -4.42 1.55 4.77 -0.50 -5.06 117.00 110.51 2b8q n LEU 102 Ca -0.13 -0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 54.96 2b8q n LEU 102 Cb 1.02 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.99 2b8q n LEU 102 CO 0.46 0.08 -0.54 0.00 -1.33 0.00 0.00 177.39 176.05 2b8q s ALA 103 N -1.01 2.49 -0.21 -1.18 0.00 0.39 -5.01 121.76 117.24 2b8q s ALA 103 Ca 0.01 -1.55 0.17 0.00 0.00 0.00 0.00 51.96 50.60 2b8q s ALA 103 Cb 0.02 -0.38 0.40 0.00 0.00 0.00 0.00 23.12 23.15 2b8q s ALA 103 CO 0.08 0.49 1.25 -1.71 0.00 0.00 0.00 175.76 175.86 2b8q n ASN 104 N 0.56 0.17 -3.98 0.00 5.15 -1.26 -4.69 115.26 111.21 2b8q n ASN 104 Ca -0.15 -2.08 -0.09 0.00 -0.60 0.00 0.00 54.58 51.66 2b8q n ASN 104 Cb 0.55 0.02 -0.11 0.00 -0.53 0.00 0.00 39.78 39.71 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 -2.30 0.24 0.16 1.20 3.68 -1.26 -5.03 116.67 113.36 2b8q s ASP 105 Ca 0.19 -0.49 0.24 0.00 2.13 0.00 0.00 52.55 54.62 2b8q s ASP 105 Cb 0.33 0.10 0.91 0.00 -1.45 0.00 0.00 42.92 42.82 2b8q s ASP 105 CO -0.08 -0.30 1.74 0.00 0.13 0.00 0.00 175.17 176.65 2b8q n ILE 106 N 1.59 0.61 -0.01 4.11 0.13 -1.26 -4.11 119.36 120.43 2b8q n ILE 106 Ca -0.24 -0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.39 2b8q n ILE 106 Cb 0.55 -0.80 -0.01 0.00 -0.84 0.00 0.00 39.64 38.54 2b8q n ILE 106 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 2b8q n ARG 107 N -2.01 0.06 -2.43 9.51 0.63 -1.26 -4.85 116.66 116.31 2b8q n ARG 107 Ca 0.04 0.02 -0.43 0.00 -0.92 0.00 0.00 57.85 56.57 2b8q n ARG 107 Cb 0.32 -0.75 0.00 0.00 0.45 0.00 0.00 32.46 32.48 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 -2.92 3.39 -1.06 -0.14 1.02 -1.26 -4.74 120.64 114.93 2b8q n GLU 108 Ca -0.05 -3.44 -0.14 0.00 -0.02 0.00 0.00 57.16 53.51 2b8q n GLU 108 Cb 0.54 -3.07 0.22 0.00 -0.02 0.00 0.00 31.44 29.11 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 5.17 3.78 0.00 1.62 0.23 -1.26 -4.31 115.26 120.49 2b8q n ASN 109 Ca 0.42 -3.52 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 2b8q n ASN 109 Cb 0.39 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 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 -0.85 0.00 -3.72 -4.53 4.77 -1.26 -4.80 117.00 106.61 2b8q n LEU 110 Ca 0.48 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 2b8q n LEU 110 Cb 1.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.46 2b8q n LEU 110 CO 0.46 0.00 0.08 -0.51 -1.33 0.00 0.00 177.39 176.09 2b8q s ILE 111 N 0.00 0.06 0.02 -0.08 2.07 -1.26 -0.68 121.20 121.34 2b8q s ILE 111 Ca 0.00 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 58.77 2b8q s ILE 111 Cb 0.00 -0.87 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 2b8q s ILE 111 CO 0.00 -0.29 -0.17 -2.28 -1.91 0.00 0.00 174.94 170.29 2b8q s HIS 112 N -2.18 1.52 -0.07 3.50 5.65 -0.36 -4.95 115.29 118.40 2b8q s HIS 112 Ca -0.07 -0.33 -0.04 0.00 0.25 0.00 0.00 55.06 54.87 2b8q s HIS 112 Cb -0.02 -0.93 0.03 0.00 -1.18 0.00 0.00 32.58 30.48 2b8q s HIS 112 CO -0.01 0.03 0.17 0.00 -0.65 0.00 0.00 174.74 174.28 2b8q s ALA 113 N -0.64 -0.37 0.32 1.58 0.00 -1.26 -1.07 121.76 120.33 2b8q s ALA 113 Ca 0.05 0.67 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 2b8q s ALA 113 Cb -0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 23.12 22.49 2b8q s ALA 113 CO 0.01 -0.14 1.00 0.43 0.00 0.00 0.00 175.76 177.05 2b8q n SER 114 N 3.80 1.24 -0.99 0.00 7.64 -0.92 -4.92 113.62 119.47 2b8q n SER 114 Ca -0.22 1.14 0.10 0.00 1.01 0.00 0.00 58.87 60.91 2b8q n SER 114 Cb 0.54 -1.30 0.18 0.00 -1.01 0.00 0.00 64.21 62.63 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 1.07 3.21 -3.60 6.43 5.68 -1.26 -4.75 116.55 123.32 2b8q n ASP 115 Ca 0.09 -1.92 -0.04 0.00 -0.50 0.00 0.00 54.79 52.41 2b8q n ASP 115 Cb 0.34 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.33 -0.14 0.23 -1.12 1.04 -1.26 -4.99 113.70 106.12 2b8q s SER 116 Ca 0.33 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.63 2b8q s SER 116 Cb 0.19 0.14 0.27 0.00 0.10 0.00 0.00 66.02 66.73 2b8q s SER 116 CO 0.27 -0.23 1.59 -0.33 0.98 0.00 0.00 173.24 175.52 2b8q h GLU 117 N 2.02 -0.04 -0.32 4.02 5.08 -1.97 0.31 114.58 123.67 2b8q h GLU 117 Ca -0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2b8q h GLU 117 Cb 1.17 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2b8q h GLU 117 CO 0.23 -0.03 0.08 -0.44 -1.00 0.00 0.00 179.01 177.85 2b8q h ASP 118 N -0.04 0.49 -0.01 1.42 3.32 -1.99 -0.36 116.42 119.25 2b8q h ASP 118 Ca 0.34 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2b8q h ASP 118 Cb 0.58 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2b8q h ASP 118 CO -0.81 0.60 -0.14 0.77 -1.72 0.00 0.00 179.24 177.93 2b8q h SER 119 N 0.36 0.30 0.48 6.45 4.64 -1.68 0.73 113.55 124.82 2b8q h SER 119 Ca 0.10 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2b8q h SER 119 Cb 0.30 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2b8q h SER 119 CO 0.00 0.47 -0.23 0.00 -0.87 0.00 0.00 176.83 176.20 2b8q h ALA 120 N 1.57 -0.64 -0.78 5.18 0.00 -0.08 0.28 119.26 124.79 2b8q h ALA 120 Ca 0.06 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2b8q h ALA 120 Cb 0.43 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2b8q h ALA 120 CO 0.03 -0.71 0.45 0.28 0.00 0.00 0.00 179.25 179.30 2b8q h VAL 121 N -0.95 0.96 0.13 0.00 2.07 -0.94 0.12 116.25 117.64 2b8q h VAL 121 Ca -0.07 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2b8q h VAL 121 Cb 0.59 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2b8q h VAL 121 CO 0.11 0.15 -0.06 -0.78 0.02 0.00 0.00 177.57 177.00 2b8q h ASP 122 N 0.80 -0.15 -0.42 0.57 3.58 -0.81 -2.91 116.42 117.07 2b8q h ASP 122 Ca 0.36 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2b8q h ASP 122 Cb 0.25 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2b8q h ASP 122 CO -0.21 0.16 0.27 -0.33 -2.88 0.00 0.00 179.24 176.26 2b8q h GLU 123 N -0.48 0.57 -0.25 0.28 5.08 -0.09 -2.49 114.58 117.22 2b8q h GLU 123 Ca -0.02 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2b8q h GLU 123 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2b8q h GLU 123 CO 0.03 0.39 -0.33 0.82 -1.00 0.00 0.00 179.01 178.93 2b8q h ILE 124 N 0.59 1.29 -0.27 3.13 2.04 -0.96 -2.49 117.51 120.84 2b8q h ILE 124 Ca 0.16 -1.43 -0.16 0.00 1.00 0.00 0.00 64.86 64.43 2b8q h ILE 124 Cb -0.04 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2b8q h ILE 124 CO -0.03 0.45 -0.47 0.77 0.00 0.00 0.00 178.15 178.87 2b8q h SER 125 N 0.45 0.78 -0.54 1.72 4.64 -1.26 0.38 113.55 119.73 2b8q h SER 125 Ca 0.05 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2b8q h SER 125 Cb 0.79 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2b8q h SER 125 CO 0.06 1.12 0.34 0.40 -0.87 0.00 0.00 176.83 177.89 2b8q h ILE 126 N 0.57 1.15 0.00 0.95 2.04 -1.25 -2.05 117.51 118.92 2b8q h ILE 126 Ca 0.03 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2b8q h ILE 126 Cb 1.03 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2b8q h ILE 126 CO 0.10 0.15 -1.29 0.79 0.00 0.00 0.00 178.15 177.90 2b8q n TRP 127 N -4.69 0.84 -3.20 1.37 7.02 -0.96 -4.54 117.44 113.29 2b8q n TRP 127 Ca 0.03 0.26 -0.23 0.00 -1.02 0.00 0.00 57.50 56.54 2b8q n TRP 127 Cb 0.03 -0.96 -0.06 0.00 -2.42 0.00 0.00 31.31 27.91 2b8q n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2b8q n PHE 128 N -2.70 0.88 -0.16 -5.99 3.72 0.13 -4.96 117.46 108.38 2b8q n PHE 128 Ca -0.05 -3.78 0.14 0.00 -0.05 0.00 0.00 57.45 53.71 2b8q n PHE 128 Cb 0.67 -0.42 0.48 0.00 -0.94 0.00 0.00 39.48 39.27 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 3.60 0.45 -0.05 -1.08 0.13 -1.53 -1.77 132.00 131.74 2b8q h PRO 129 Ca 0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2b8q h PRO 129 Cb 0.83 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2b8q h PRO 129 CO 0.57 0.30 0.00 -0.85 -0.23 0.00 0.00 178.00 177.79 2b8q n GLU 130 N -4.49 0.24 -0.57 0.86 0.00 -1.26 -5.04 120.64 110.38 2b8q n GLU 130 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2b8q n GLU 130 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.89 2b8q n GLU 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54