#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8q n LEU 1 N 0.00 1.43 -3.83 0.99 7.94 -1.26 -2.65 117.00 119.62 2b8q n LEU 1 Ca 0.00 0.83 -0.10 0.00 -1.11 0.00 0.00 56.01 55.63 2b8q n LEU 1 Cb 0.00 -1.23 -0.05 0.00 0.53 0.00 0.00 43.42 42.67 2b8q n LEU 1 CO 0.00 -2.56 0.16 -1.10 -1.11 0.00 0.00 177.39 172.77 2b8q s GLN 2 N -2.10 1.29 0.02 1.96 -0.21 -0.66 -4.79 119.66 115.18 2b8q s GLN 2 Ca 0.68 -0.99 0.04 0.00 0.02 0.00 0.00 55.36 55.11 2b8q s GLN 2 Cb -0.49 0.46 -0.02 0.00 1.00 0.00 0.00 33.01 33.97 2b8q s GLN 2 CO 0.54 -0.52 -0.12 1.03 -2.12 0.00 0.00 175.29 174.10 2b8q s ARG 3 N -3.91 0.88 0.06 2.91 0.52 -1.26 -1.75 118.95 116.40 2b8q s ARG 3 Ca 0.12 -0.61 -0.08 0.00 -0.52 0.00 0.00 55.73 54.64 2b8q s ARG 3 Cb 0.01 -0.86 -0.00 0.00 0.52 0.00 0.00 34.95 34.61 2b8q s ARG 3 CO -0.02 0.22 0.17 -0.08 0.02 0.00 0.00 175.30 175.62 2b8q s THR 4 N -0.65 0.13 -0.17 0.02 -1.32 -0.26 -4.68 115.64 108.73 2b8q s THR 4 Ca 0.02 -1.10 -0.08 0.00 -1.21 0.00 0.00 61.69 59.33 2b8q s THR 4 Cb -0.07 -1.14 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 2b8q s THR 4 CO 0.01 -0.60 0.09 -0.22 -2.21 0.00 0.00 174.62 171.68 2b8q s LEU 5 N -2.50 4.03 -0.02 9.08 2.96 -1.26 -0.96 118.68 130.01 2b8q s LEU 5 Ca 0.00 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 2b8q s LEU 5 Cb 0.02 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2b8q s LEU 5 CO -0.08 0.24 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.31 2b8q s VAL 6 N -0.04 1.53 -0.15 1.68 1.01 0.80 -2.28 120.40 122.95 2b8q s VAL 6 Ca 0.08 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2b8q s VAL 6 Cb -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2b8q s VAL 6 CO 0.00 0.43 -0.15 -0.76 0.00 0.00 0.00 175.10 174.62 2b8q s LEU 7 N -0.45 1.77 -0.41 3.92 1.43 -0.16 0.16 118.68 124.95 2b8q s LEU 7 Ca 0.07 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 2b8q s LEU 7 Cb -0.08 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.93 2b8q s LEU 7 CO -0.01 -0.04 0.75 -0.63 0.23 0.00 0.00 176.35 176.66 2b8q s ILE 8 N 1.40 4.72 0.64 -0.59 1.09 0.67 -1.21 121.20 127.92 2b8q s ILE 8 Ca 0.04 0.58 -0.13 0.00 -1.10 0.00 0.00 60.65 60.03 2b8q s ILE 8 Cb -0.13 -4.24 -0.01 0.00 -1.06 0.00 0.00 42.46 37.01 2b8q s ILE 8 CO -0.10 -0.56 1.06 -0.54 -0.10 0.00 0.00 174.94 174.70 2b8q s LYS 9 N 3.12 3.12 0.30 2.79 1.02 -0.13 -2.57 119.74 127.39 2b8q s LYS 9 Ca 0.29 1.10 0.04 0.00 0.02 0.00 0.00 55.97 57.42 2b8q s LYS 9 Cb -0.13 -2.01 0.77 0.00 -0.52 0.00 0.00 37.83 35.94 2b8q s LYS 9 CO 0.19 -0.96 1.63 -1.35 -0.92 0.00 0.00 175.35 173.94 2b8q h PRO 10 N -0.10 0.16 -0.02 -1.68 0.11 -1.84 0.12 132.00 128.76 2b8q h PRO 10 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2b8q h PRO 10 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2b8q h PRO 10 CO 0.57 0.11 0.03 0.38 -0.21 0.00 0.00 178.00 178.88 2b8q h ASP 11 N 0.17 0.00 -0.14 -2.05 2.03 -1.91 0.05 116.42 114.57 2b8q h ASP 11 Ca 0.59 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.73 2b8q h ASP 11 Cb 1.23 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.72 2b8q h ASP 11 CO -0.70 0.00 -0.46 0.00 -1.03 0.00 0.00 179.24 177.05 2b8q h ALA 12 N 1.96 0.69 -0.31 4.15 0.00 -1.01 -2.02 119.26 122.72 2b8q h ALA 12 Ca 0.01 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 2b8q h ALA 12 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2b8q h ALA 12 CO -0.00 0.67 -0.47 0.74 0.00 0.00 0.00 179.25 180.19 2b8q h PHE 13 N 0.56 1.07 -0.40 0.00 -1.00 -1.07 0.38 116.94 116.48 2b8q h PHE 13 Ca 0.03 -0.36 -0.02 0.00 2.81 0.00 0.00 57.97 60.43 2b8q h PHE 13 Cb 1.01 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.34 2b8q h PHE 13 CO 0.05 1.19 0.18 1.49 -1.61 0.00 0.00 178.31 179.61 2b8q h GLU 14 N 0.66 0.59 -0.34 1.51 4.81 -1.29 -2.23 114.58 118.29 2b8q h GLU 14 Ca 0.03 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2b8q h GLU 14 Cb 1.08 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2b8q h GLU 14 CO 0.11 0.53 0.00 0.54 -0.73 0.00 0.00 179.01 179.46 2b8q n ARG 15 N -4.67 1.77 -3.83 1.92 1.74 -0.77 -4.93 116.66 107.89 2b8q n ARG 15 Ca 0.00 -1.09 -0.28 0.00 -0.77 0.00 0.00 57.85 55.71 2b8q n ARG 15 Cb 0.12 -1.28 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.37 -2.38 -0.24 0.55 7.64 -0.84 -4.91 113.62 113.82 2b8q n SER 16 Ca 0.10 -1.00 0.04 0.00 1.01 0.00 0.00 58.87 59.02 2b8q n SER 16 Cb 0.28 -3.24 0.09 0.00 -1.01 0.00 0.00 64.21 60.34 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 -4.33 2.47 0.19 -3.43 4.77 0.13 -4.78 117.00 112.02 2b8q n LEU 17 Ca -0.22 -2.37 -0.15 0.00 -0.03 0.00 0.00 56.01 53.24 2b8q n LEU 17 Cb 0.65 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2b8q n LEU 17 CO 0.71 0.61 0.76 0.58 -1.33 0.00 0.00 177.39 178.73 2b8q h VAL 18 N 0.59 0.66 -0.57 4.08 2.07 -1.91 -2.06 116.25 119.11 2b8q h VAL 18 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2b8q h VAL 18 Cb 0.77 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2b8q h VAL 18 CO 0.02 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.74 2b8q h ALA 19 N 0.26 1.14 -0.32 1.67 0.00 -1.94 -1.08 119.26 118.99 2b8q h ALA 19 Ca -0.04 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2b8q h ALA 19 Cb 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2b8q h ALA 19 CO 0.05 0.58 0.14 1.49 0.00 0.00 0.00 179.25 181.51 2b8q h GLU 20 N 0.86 0.29 0.09 0.00 4.57 -1.85 0.30 114.58 118.82 2b8q h GLU 20 Ca 0.18 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2b8q h GLU 20 Cb 0.33 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2b8q h GLU 20 CO 0.00 0.19 -0.04 0.82 -1.18 0.00 0.00 179.01 178.80 2b8q h ILE 21 N 0.29 1.12 -0.33 2.32 2.04 -1.16 -2.83 117.51 118.97 2b8q h ILE 21 Ca 0.14 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2b8q h ILE 21 Cb 0.08 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2b8q h ILE 21 CO -0.12 0.20 0.16 0.24 0.00 0.00 0.00 178.15 178.63 2b8q h MET 22 N -0.49 0.45 -0.82 2.37 2.86 -1.07 -2.54 114.93 115.68 2b8q h MET 22 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2b8q h MET 22 Cb 0.42 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2b8q h MET 22 CO 0.02 0.35 0.47 0.78 1.06 0.00 0.00 176.91 179.59 2b8q h GLY 23 N 0.56 1.22 1.54 8.32 0.00 -0.28 -0.87 103.07 113.56 2b8q h GLY 23 Ca 0.12 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 2b8q h GLY 23 CO -0.02 0.51 -0.27 3.21 0.00 0.00 0.00 176.54 179.97 2b8q h ARG 24 N 1.15 0.53 -0.19 4.80 3.08 -1.21 0.37 114.38 122.91 2b8q h ARG 24 Ca 0.29 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 2b8q h ARG 24 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2b8q h ARG 24 CO -0.05 0.76 -0.41 0.82 -1.07 0.00 0.00 179.97 180.02 2b8q h ILE 25 N 0.46 1.33 -0.69 2.04 2.04 -1.46 -2.98 117.51 118.25 2b8q h ILE 25 Ca 0.06 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 2b8q h ILE 25 Cb 0.72 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2b8q h ILE 25 CO 0.05 0.51 0.36 -0.08 0.00 0.00 0.00 178.15 178.99 2b8q h GLU 26 N 0.29 0.98 0.00 2.37 4.81 -0.95 -2.50 114.58 119.58 2b8q h GLU 26 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2b8q h GLU 26 Cb 1.01 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2b8q h GLU 26 CO 0.09 0.76 0.00 0.87 -0.73 0.00 0.00 179.01 180.00 2b8q h LYS 27 N 0.96 0.00 -0.65 1.92 1.57 -0.91 -0.20 116.57 119.26 2b8q h LYS 27 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2b8q h LYS 27 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2b8q h LYS 27 CO -0.03 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.02 2b8q n LYS 28 N -2.97 2.83 -1.81 3.15 4.81 -0.96 -4.91 118.16 118.30 2b8q n LYS 28 Ca -0.00 -1.71 -0.13 0.00 -0.87 0.00 0.00 58.31 55.60 2b8q n LYS 28 Cb 0.23 -1.74 -0.03 0.00 0.02 0.00 0.00 35.03 33.50 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 0.48 -4.28 -4.82 3.14 4.05 -0.09 -5.03 115.26 108.71 2b8q n ASN 29 Ca 0.15 0.15 -0.38 0.00 0.45 0.00 0.00 54.58 54.95 2b8q n ASN 29 Cb 0.65 -3.20 -0.06 0.00 1.23 0.00 0.00 39.78 38.41 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 -2.56 3.77 0.11 1.20 0.40 -1.14 -4.93 117.98 114.83 2b8q s PHE 30 Ca 0.00 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.52 2b8q s PHE 30 Cb 0.00 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 2b8q s PHE 30 CO 0.00 0.60 0.15 0.15 0.70 0.00 0.00 175.22 176.82 2b8q s LYS 31 N -1.14 3.09 -0.36 0.44 -0.14 -0.61 -4.44 119.74 116.57 2b8q s LYS 31 Ca 0.27 -0.67 -0.27 0.00 -1.36 0.00 0.00 55.97 53.94 2b8q s LYS 31 Cb -0.18 -2.81 0.02 0.00 -1.68 0.00 0.00 37.83 33.18 2b8q s LYS 31 CO 0.17 0.55 1.00 0.42 -0.76 0.00 0.00 175.35 176.73 2b8q s ILE 32 N -1.56 4.51 -0.15 2.17 1.01 -1.26 -0.97 121.20 124.95 2b8q s ILE 32 Ca 0.32 1.39 -0.16 0.00 0.00 0.00 0.00 60.65 62.20 2b8q s ILE 32 Cb -0.12 -4.39 -0.24 0.00 0.01 0.00 0.00 42.46 37.73 2b8q s ILE 32 CO 0.25 -0.57 0.36 0.58 0.00 0.00 0.00 174.94 175.55 2b8q h VAL 33 N 5.84 0.86 -3.24 2.92 2.07 -1.05 -3.48 116.25 120.17 2b8q h VAL 33 Ca -0.22 -2.29 -0.15 0.00 0.82 0.00 0.00 66.70 64.86 2b8q h VAL 33 Cb 1.07 2.46 -0.23 0.00 -1.52 0.00 0.00 31.29 33.07 2b8q h VAL 33 CO 1.02 0.60 -0.42 -0.44 0.02 0.00 0.00 177.57 178.35 2b8q s SER 34 N -6.95 -0.15 -0.11 0.57 0.01 -1.13 -4.98 113.70 100.97 2b8q s SER 34 Ca -0.24 0.18 -0.10 0.00 1.31 0.00 0.00 55.95 57.10 2b8q s SER 34 Cb 0.06 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.68 2b8q s SER 34 CO 0.69 -0.25 0.28 -0.32 0.41 0.00 0.00 173.24 174.05 2b8q s MET 35 N -0.66 0.33 -0.01 12.44 0.00 -1.26 -0.09 119.30 130.05 2b8q s MET 35 Ca -0.08 0.40 -0.00 0.00 0.00 0.00 0.00 55.69 56.01 2b8q s MET 35 Cb -0.04 0.16 0.02 0.00 0.00 0.00 0.00 34.83 34.96 2b8q s MET 35 CO 0.02 -0.04 0.02 0.15 0.00 0.00 0.00 175.02 175.17 2b8q s LYS 36 N 0.17 -0.02 -0.19 4.11 1.02 -0.63 -5.02 119.74 119.18 2b8q s LYS 36 Ca -0.00 0.12 -0.08 0.00 0.02 0.00 0.00 55.97 56.03 2b8q s LYS 36 Cb -0.02 -0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 2b8q s LYS 36 CO 0.00 -0.10 0.07 0.12 -0.92 0.00 0.00 175.35 174.52 2b8q s PHE 37 N 0.61 3.23 -0.21 3.18 5.36 -1.26 -1.52 117.98 127.37 2b8q s PHE 37 Ca -0.05 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 2b8q s PHE 37 Cb -0.07 -2.11 0.02 0.00 -0.34 0.00 0.00 43.02 40.52 2b8q s PHE 37 CO -0.02 0.08 -0.14 -1.58 -1.46 0.00 0.00 175.22 172.10 2b8q s TRP 38 N 0.59 2.93 0.31 10.12 0.52 0.59 -4.97 118.94 129.02 2b8q s TRP 38 Ca 0.03 -1.65 -0.01 0.00 0.02 0.00 0.00 56.10 54.50 2b8q s TRP 38 Cb -0.13 -1.97 0.48 0.00 -1.15 0.00 0.00 33.47 30.70 2b8q s TRP 38 CO 0.01 -0.77 1.95 0.66 0.02 0.00 0.00 176.95 178.82 2b8q h SER 39 N 7.95 0.87 -1.61 2.95 4.64 -1.92 0.34 113.55 126.76 2b8q h SER 39 Ca -0.39 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 2b8q h SER 39 Cb 1.12 -0.22 -0.27 0.00 -0.31 0.00 0.00 62.40 62.72 2b8q h SER 39 CO 0.60 0.67 -0.43 -0.75 -0.87 0.00 0.00 176.83 176.04 2b8q s LYS 40 N -5.75 0.42 0.29 4.77 2.20 -1.26 -2.82 119.74 117.59 2b8q s LYS 40 Ca -0.11 0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.82 2b8q s LYS 40 Cb 0.17 -0.17 -0.11 0.00 -1.51 0.00 0.00 37.83 36.22 2b8q s LYS 40 CO 0.79 -0.69 1.46 0.00 -0.36 0.00 0.00 175.35 176.55 2b8q s ALA 41 N 2.64 3.63 0.15 3.13 0.00 -1.26 -4.92 121.76 125.12 2b8q s ALA 41 Ca 0.14 1.42 -0.31 0.00 0.00 0.00 0.00 51.96 53.21 2b8q s ALA 41 Cb -0.15 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.29 2b8q s ALA 41 CO -0.19 -0.83 1.73 -2.14 0.00 0.00 0.00 175.76 174.33 2b8q s PRO 42 N -0.90 4.15 0.30 0.00 0.02 -1.26 -4.86 135.00 132.45 2b8q s PRO 42 Ca 0.58 2.53 0.05 0.00 0.02 0.00 0.00 61.00 64.18 2b8q s PRO 42 Cb -0.44 -3.36 0.75 0.00 0.02 0.00 0.00 34.50 31.47 2b8q s PRO 42 CO 0.49 -0.77 1.72 -0.09 -0.33 0.00 0.00 177.00 178.02 2b8q h ARG 43 N 7.72 0.48 -0.51 5.54 2.43 -1.98 -1.81 114.38 126.26 2b8q h ARG 43 Ca -0.44 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.79 2b8q h ARG 43 Cb 1.21 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.55 2b8q h ARG 43 CO 0.94 0.32 -0.38 -0.97 -1.51 0.00 0.00 179.97 178.37 2b8q h ASN 44 N 0.50 -1.29 -0.62 -3.80 -0.73 -1.99 0.18 115.58 107.82 2b8q h ASN 44 Ca 0.57 0.22 0.04 0.00 1.87 0.00 0.00 56.30 59.01 2b8q h ASN 44 Cb 1.05 0.60 -0.05 0.00 0.27 0.00 0.00 38.32 40.19 2b8q h ASN 44 CO -0.49 -0.33 0.35 -0.07 -0.37 0.00 0.00 177.43 176.53 2b8q h LEU 45 N -0.24 0.54 -1.02 0.34 4.07 -1.71 -0.74 115.31 116.56 2b8q h LEU 45 Ca 0.18 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 2b8q h LEU 45 Cb 0.56 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.17 2b8q h LEU 45 CO -0.63 0.37 0.55 0.40 -1.08 0.00 0.00 178.44 178.04 2b8q h ILE 46 N 0.68 1.25 -0.44 1.22 1.08 -1.09 -0.18 117.51 120.03 2b8q h ILE 46 Ca 0.27 -0.53 -0.11 0.00 -0.39 0.00 0.00 64.86 64.10 2b8q h ILE 46 Cb 0.12 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.83 2b8q h ILE 46 CO -0.15 0.26 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.08 2b8q h GLU 47 N 1.24 0.87 0.90 2.37 5.08 -0.37 -1.67 114.58 123.00 2b8q h GLU 47 Ca 0.32 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2b8q h GLU 47 Cb -0.06 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.16 2b8q h GLU 47 CO -0.06 1.00 -0.43 1.96 -1.00 0.00 0.00 179.01 180.48 2b8q h GLN 48 N 0.70 -1.16 -0.92 2.33 4.20 -0.76 -0.94 115.11 118.56 2b8q h GLN 48 Ca 0.10 0.08 0.18 0.00 0.06 0.00 0.00 58.65 59.07 2b8q h GLN 48 Cb 0.71 0.26 -0.17 0.00 0.30 0.00 0.00 27.48 28.58 2b8q h GLN 48 CO 0.05 -0.77 -0.26 1.25 -0.67 0.00 0.00 178.83 178.43 2b8q h HIS 49 N -1.22 -0.61 -0.99 2.96 2.76 -0.97 0.47 115.15 117.56 2b8q h HIS 49 Ca -0.12 0.09 -0.55 0.00 -2.20 0.00 0.00 60.37 57.58 2b8q h HIS 49 Cb 0.92 0.41 -0.30 0.00 1.55 0.00 0.00 27.41 29.99 2b8q h HIS 49 CO -0.01 -0.40 0.70 0.66 -1.30 0.00 0.00 177.93 177.59 2b8q n TYR 50 N -5.57 3.09 -0.20 5.26 4.02 -0.64 -4.73 117.16 118.39 2b8q n TYR 50 Ca 0.13 -2.11 0.01 0.00 -0.01 0.00 0.00 57.90 55.93 2b8q n TYR 50 Cb 0.45 -1.06 0.11 0.00 -0.02 0.00 0.00 39.34 38.83 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 1.22 0.20 -0.93 -0.72 2.10 0.14 -2.27 116.57 116.32 2b8q h LYS 51 Ca 0.63 -0.01 0.19 0.00 -2.00 0.00 0.00 60.65 59.46 2b8q h LYS 51 Cb 2.40 -0.05 -0.08 0.00 -0.90 0.00 0.00 32.23 33.61 2b8q h LYS 51 CO 1.21 0.14 0.60 0.93 -2.00 0.00 0.00 179.45 180.32 2b8q h GLU 52 N 0.21 0.51 -0.00 0.07 3.07 -1.85 0.12 114.58 116.71 2b8q h GLU 52 Ca 0.33 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2b8q h GLU 52 Cb 0.52 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2b8q h GLU 52 CO -0.46 0.34 -0.00 0.72 -1.40 0.00 0.00 179.01 178.21 2b8q n HIS 53 N -4.57 0.00 -0.36 4.33 8.25 -0.86 -4.19 115.22 117.82 2b8q n HIS 53 Ca 0.20 0.00 0.34 0.00 -0.26 0.00 0.00 57.72 58.00 2b8q n HIS 53 Cb 0.64 -0.00 0.70 0.00 1.12 0.00 0.00 29.99 32.45 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 0.27 0.11 0.56 0.41 4.64 -0.77 0.16 113.55 118.92 2b8q h SER 54 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2b8q h SER 54 Cb 0.06 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2b8q h SER 54 CO 0.00 0.00 -0.95 -0.62 -0.87 0.00 0.00 176.83 174.39 2b8q n GLU 55 N -4.29 0.31 -1.24 4.77 4.71 -1.26 -4.90 120.64 118.75 2b8q n GLU 55 Ca 0.28 0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 57.14 2b8q n GLU 55 Cb 1.24 -1.63 0.10 0.00 -1.01 0.00 0.00 31.44 30.14 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 -3.21 2.19 0.14 3.49 -1.52 0.56 -4.97 119.66 116.34 2b8q s GLN 56 Ca 0.04 1.18 -0.12 0.00 -1.95 0.00 0.00 55.36 54.50 2b8q s GLN 56 Cb 0.14 -1.89 -0.00 0.00 -0.22 0.00 0.00 33.01 31.04 2b8q s GLN 56 CO 0.78 -1.69 1.57 0.66 -0.25 0.00 0.00 175.29 176.36 2b8q h SER 57 N -1.16 0.86 0.48 5.90 4.64 -1.92 -3.15 113.55 119.19 2b8q h SER 57 Ca -0.44 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 2b8q h SER 57 Cb 1.23 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2b8q h SER 57 CO 0.51 1.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.47 2b8q n TYR 58 N -4.29 0.00 -0.19 4.77 0.18 -1.26 -4.13 117.16 112.23 2b8q n TYR 58 Ca -0.00 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.77 2b8q n TYR 58 Cb 0.36 -0.37 0.07 0.00 -0.38 0.00 0.00 39.34 39.01 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 -0.18 -0.41 -3.48 3.04 -1.75 0.16 116.94 114.32 2b8q h PHE 59 Ca 0.00 0.05 -0.07 0.00 3.98 0.00 0.00 57.97 61.93 2b8q h PHE 59 Cb 0.24 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 2b8q h PHE 59 CO 0.00 -0.20 -0.02 -0.91 -2.02 0.00 0.00 178.31 175.16 2b8q h ASN 60 N 0.05 0.72 -0.25 0.41 2.35 -1.84 -1.53 115.58 115.49 2b8q h ASN 60 Ca 0.29 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 2b8q h ASN 60 Cb 0.46 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2b8q h ASN 60 CO -0.55 0.87 -0.02 0.44 -1.65 0.00 0.00 177.43 176.52 2b8q h ASP 61 N 0.56 0.45 -0.59 5.81 3.32 -1.70 -1.55 116.42 122.72 2b8q h ASP 61 Ca 0.11 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.86 2b8q h ASP 61 Cb 0.50 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2b8q h ASP 61 CO 0.02 0.68 0.36 -1.13 -1.72 0.00 0.00 179.24 177.45 2b8q h ASN 62 N 0.22 0.57 -0.85 6.45 -0.00 -0.68 -0.96 115.58 120.33 2b8q h ASN 62 Ca 0.07 0.01 0.03 0.00 -0.00 0.00 0.00 56.30 56.40 2b8q h ASN 62 Cb 0.46 -0.11 -0.05 0.00 -0.00 0.00 0.00 38.32 38.62 2b8q h ASN 62 CO 0.02 0.40 0.55 0.00 -0.00 0.00 0.00 177.43 178.39 2b8q h ASP 64 N 1.08 1.00 -0.49 0.00 3.32 -0.42 -2.83 116.42 118.07 2b8q h ASP 64 Ca 0.34 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2b8q h ASP 64 Cb -0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2b8q h ASP 64 CO -0.11 0.84 0.07 0.15 -1.72 0.00 0.00 179.24 178.48 2b8q h PHE 65 N 1.09 0.86 0.00 4.55 3.04 -0.45 -2.31 116.94 123.71 2b8q h PHE 65 Ca 0.27 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2b8q h PHE 65 Cb 0.09 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.37 2b8q h PHE 65 CO 0.01 0.80 0.00 -1.33 -2.02 0.00 0.00 178.31 175.76 2b8q n MET 66 N -4.42 0.10 -0.02 1.11 2.81 -0.23 -1.54 117.12 114.93 2b8q n MET 66 Ca 0.01 0.50 0.01 0.00 -1.81 0.00 0.00 57.70 56.41 2b8q n MET 66 Cb 0.26 -1.76 0.02 0.00 -0.71 0.00 0.00 33.22 31.03 2b8q n MET 66 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2b8q n VAL 67 N -1.95 1.01 1.56 2.03 3.14 -1.02 -4.61 118.33 118.48 2b8q n VAL 67 Ca 0.00 -1.01 0.10 0.00 -2.96 0.00 0.00 64.34 60.48 2b8q n VAL 67 Cb 0.09 0.49 0.46 0.00 -1.06 0.00 0.00 33.84 33.82 2b8q n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2b8q n SER 68 N -0.39 0.97 -2.87 6.55 3.41 -0.59 -4.83 113.62 115.87 2b8q n SER 68 Ca 0.01 -1.58 -0.01 0.00 -0.26 0.00 0.00 58.87 57.04 2b8q n SER 68 Cb 0.27 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.99 0.62 3.59 5.00 0.00 -1.26 -5.07 105.19 109.06 2b8q n GLY 69 Ca 0.15 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.03 -0.13 -0.01 1.61 0.02 -1.13 -4.55 135.00 128.78 2b8q s PRO 70 Ca 0.19 0.72 -0.18 0.00 0.02 0.00 0.00 61.00 61.75 2b8q s PRO 70 Cb -0.02 -1.66 0.03 0.00 0.02 0.00 0.00 34.50 32.88 2b8q s PRO 70 CO 0.03 -3.16 0.39 0.42 -0.33 0.00 0.00 177.00 174.35 2b8q s ILE 71 N -2.72 0.05 -0.11 2.83 1.01 0.11 -3.27 121.20 119.09 2b8q s ILE 71 Ca 0.67 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2b8q s ILE 71 Cb -0.22 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.54 2b8q s ILE 71 CO 0.61 -0.21 -0.14 -0.63 0.00 0.00 0.00 174.94 174.56 2b8q s ILE 72 N -1.43 1.44 -0.20 2.92 1.01 -1.06 -0.30 121.20 123.58 2b8q s ILE 72 Ca -0.12 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 2b8q s ILE 72 Cb -0.04 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2b8q s ILE 72 CO 0.05 0.43 0.05 -0.94 0.00 0.00 0.00 174.94 174.52 2b8q s SER 73 N 1.05 5.32 -0.00 3.58 1.04 -0.57 -0.24 113.70 123.87 2b8q s SER 73 Ca -0.06 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.37 2b8q s SER 73 Cb -0.15 -1.92 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 2b8q s SER 73 CO -0.02 0.11 -0.14 -0.63 0.98 0.00 0.00 173.24 173.53 2b8q s ILE 74 N 0.76 1.12 -0.28 -1.02 1.01 0.12 -1.61 121.20 121.31 2b8q s ILE 74 Ca 0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 2b8q s ILE 74 Cb -0.14 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2b8q s ILE 74 CO 0.02 0.26 0.07 -0.69 0.00 0.00 0.00 174.94 174.60 2b8q s VAL 75 N -0.43 4.00 -0.02 2.92 1.01 0.88 -0.14 120.40 128.62 2b8q s VAL 75 Ca 0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2b8q s VAL 75 Cb -0.06 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2b8q s VAL 75 CO -0.00 0.15 0.07 -0.31 0.00 0.00 0.00 175.10 175.00 2b8q s TYR 76 N 1.52 3.28 -0.01 5.22 1.51 -0.13 -0.37 117.35 128.36 2b8q s TYR 76 Ca 0.04 0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.36 2b8q s TYR 76 Cb -0.17 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2b8q s TYR 76 CO 0.02 0.55 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.83 2b8q s GLU 77 N -1.60 1.46 0.00 -0.62 2.12 -0.15 -1.10 118.70 118.81 2b8q s GLU 77 Ca 0.21 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2b8q s GLU 77 Cb -0.12 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.86 2b8q s GLU 77 CO 0.12 0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 2b8q n GLY 78 N 2.64 1.84 3.70 -1.50 0.00 -0.72 -1.57 105.19 109.58 2b8q n GLY 78 Ca -0.15 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 2b8q n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2b8q n THR 79 N -0.79 0.11 -2.26 2.61 -1.04 -1.26 -1.65 114.28 109.99 2b8q n THR 79 Ca 0.00 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.86 2b8q n THR 79 Cb 0.00 -1.91 -0.01 0.00 -1.82 0.00 0.00 70.33 66.59 2b8q n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2b8q n ASP 80 N 4.32 -4.00 -0.26 8.00 4.64 -1.08 -4.85 116.55 123.32 2b8q n ASP 80 Ca 0.17 0.20 0.02 0.00 -1.38 0.00 0.00 54.79 53.80 2b8q n ASP 80 Cb 0.34 -3.44 0.10 0.00 -1.04 0.00 0.00 41.12 37.08 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 0.96 0.55 0.02 -1.67 0.00 -1.68 -1.49 119.26 115.96 2b8q h ALA 81 Ca -0.31 0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2b8q h ALA 81 Cb 1.17 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2b8q h ALA 81 CO 0.37 -0.42 -0.31 0.82 0.00 0.00 0.00 179.25 179.72 2b8q h ILE 82 N 0.01 0.33 -0.17 0.00 2.04 -1.87 -0.33 117.51 117.52 2b8q h ILE 82 Ca 0.38 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.19 2b8q h ILE 82 Cb 0.59 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2b8q h ILE 82 CO -0.77 0.00 -0.06 -1.28 0.00 0.00 0.00 178.15 176.04 2b8q h SER 83 N -0.47 0.35 -0.53 1.72 0.87 -1.82 -2.50 113.55 111.16 2b8q h SER 83 Ca 0.06 -0.39 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2b8q h SER 83 Cb 0.55 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 2b8q h SER 83 CO -0.24 0.67 0.32 0.11 -0.53 0.00 0.00 176.83 177.15 2b8q h LYS 84 N 0.03 0.72 0.00 2.24 1.79 -1.19 -0.32 116.57 119.84 2b8q h LYS 84 Ca 0.04 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 2b8q h LYS 84 Cb 0.53 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2b8q h LYS 84 CO 0.02 0.53 -0.54 0.82 -1.08 0.00 0.00 179.45 179.20 2b8q h ILE 85 N 0.71 1.25 -0.36 1.86 2.04 -1.12 0.18 117.51 122.07 2b8q h ILE 85 Ca 0.19 -1.92 -0.13 0.00 1.00 0.00 0.00 64.86 64.00 2b8q h ILE 85 Cb -0.01 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2b8q h ILE 85 CO -0.04 0.52 -0.29 -0.09 0.00 0.00 0.00 178.15 178.26 2b8q h ARG 86 N 0.00 0.76 -0.20 2.37 1.12 -1.04 -0.06 114.38 117.32 2b8q h ARG 86 Ca -0.01 -0.34 -0.14 0.00 -1.11 0.00 0.00 59.98 58.38 2b8q h ARG 86 Cb 1.03 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.96 2b8q h ARG 86 CO 0.07 0.95 -0.47 0.00 -3.11 0.00 0.00 179.97 177.41 2b8q h ARG 87 N 0.65 0.52 -0.34 0.20 3.08 -0.58 -1.92 114.38 115.99 2b8q h ARG 87 Ca 0.08 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2b8q h ARG 87 Cb 0.81 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2b8q h ARG 87 CO 0.07 0.89 0.16 1.25 -1.07 0.00 0.00 179.97 181.26 2b8q h LEU 88 N 0.42 0.44 -0.27 3.04 5.85 -0.60 -2.58 115.31 121.62 2b8q h LEU 88 Ca 0.02 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.67 2b8q h LEU 88 Cb 0.99 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 2b8q h LEU 88 CO 0.09 0.45 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.90 2b8q h GLN 89 N 0.41 -0.09 0.00 1.25 4.15 -0.79 -0.22 115.11 119.82 2b8q h GLN 89 Ca 0.12 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2b8q h GLN 89 Cb 0.13 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2b8q h GLN 89 CO -0.01 -0.06 0.00 0.41 -1.93 0.00 0.00 178.83 177.23 2b8q n GLY 90 N -1.30 1.29 3.51 2.39 0.00 -0.74 -1.31 105.19 109.03 2b8q n GLY 90 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.02 0.64 1.61 2.20 -1.26 -4.73 114.94 109.37 2b8q s ASN 91 Ca 0.00 -1.03 0.28 0.00 -0.94 0.00 0.00 52.86 51.17 2b8q s ASN 91 Cb 0.00 0.55 1.52 0.00 -2.00 0.00 0.00 41.25 41.32 2b8q s ASN 91 CO 0.00 -1.09 1.88 0.40 -2.94 0.00 0.00 177.10 175.36 2b8q h ILE 92 N 2.32 0.14 0.00 0.54 1.08 -1.88 -1.72 117.51 117.99 2b8q h ILE 92 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2b8q h ILE 92 Cb 1.25 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2b8q h ILE 92 CO 0.39 0.00 -1.54 0.18 -0.69 0.00 0.00 178.15 176.49 2b8q n LEU 93 N -3.18 0.37 -4.33 1.44 4.77 -1.26 -4.72 117.00 110.10 2b8q n LEU 93 Ca 0.02 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 2b8q n LEU 93 Cb 0.50 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2b8q n LEU 93 CO 0.18 0.00 -0.05 -0.89 -1.33 0.00 0.00 177.39 175.30 2b8q s THR 94 N -3.38 4.68 0.74 -5.08 2.01 -0.72 -5.03 115.64 108.86 2b8q s THR 94 Ca -0.03 -1.22 -0.13 0.00 0.31 0.00 0.00 61.69 60.61 2b8q s THR 94 Cb 0.14 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.88 2b8q s THR 94 CO 0.86 -0.52 1.14 -2.84 -0.69 0.00 0.00 174.62 172.58 2b8q s PRO 95 N 1.52 2.20 0.00 4.92 0.02 -1.26 -3.27 135.00 139.14 2b8q s PRO 95 Ca 0.03 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.54 2b8q s PRO 95 Cb -0.23 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2b8q s PRO 95 CO 0.04 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.39 2b8q n GLY 96 N -0.25 2.90 4.00 0.52 0.00 -1.26 -4.94 105.19 106.16 2b8q n GLY 96 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.90 2.24 0.02 2.61 -4.23 -1.20 -4.93 115.64 107.25 2b8q s THR 97 Ca 0.00 -0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 59.55 2b8q s THR 97 Cb 0.00 -2.54 -0.17 0.00 1.34 0.00 0.00 72.50 71.13 2b8q s THR 97 CO 0.00 0.00 1.34 0.40 -0.54 0.00 0.00 174.62 175.82 2b8q h ILE 98 N -0.26 0.87 0.00 2.99 2.04 -0.98 -1.95 117.51 120.22 2b8q h ILE 98 Ca -0.36 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 2b8q h ILE 98 Cb 1.28 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2b8q h ILE 98 CO 0.42 0.13 -0.40 0.03 0.00 0.00 0.00 178.15 178.33 2b8q h ARG 99 N -0.59 0.00 -0.25 2.37 3.08 -1.44 -1.21 114.38 116.34 2b8q h ARG 99 Ca -0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2b8q h ARG 99 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2b8q h ARG 99 CO 0.05 0.40 -0.39 0.78 -1.07 0.00 0.00 179.97 179.74 2b8q h GLY 100 N 1.47 0.64 0.43 0.04 0.00 -1.29 -2.17 103.07 102.18 2b8q h GLY 100 Ca -0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 2b8q h GLY 100 CO 0.05 0.57 -1.71 1.22 0.00 0.00 0.00 176.54 176.67 2b8q n ASP 101 N -4.04 0.37 -0.00 0.19 8.00 -0.74 -4.50 116.55 115.83 2b8q n ASP 101 Ca -0.02 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2b8q n ASP 101 Cb 0.51 1.13 -0.00 0.00 -0.02 0.00 0.00 41.12 42.74 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 -2.55 0.00 -4.65 0.64 4.77 -0.47 -5.07 117.00 109.67 2b8q n LEU 102 Ca -0.08 -0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.45 2b8q n LEU 102 Cb 0.71 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.72 2b8q n LEU 102 CO 0.44 0.00 -0.30 0.00 -1.33 0.00 0.00 177.39 176.19 2b8q s ALA 103 N -1.59 3.21 -0.34 -1.18 0.00 -0.82 -5.03 121.76 116.01 2b8q s ALA 103 Ca -0.00 -1.77 0.13 0.00 0.00 0.00 0.00 51.96 50.32 2b8q s ALA 103 Cb 0.00 -0.65 0.41 0.00 0.00 0.00 0.00 23.12 22.89 2b8q s ALA 103 CO 0.01 0.18 1.50 -1.71 0.00 0.00 0.00 175.76 175.74 2b8q n ASN 104 N -0.94 -1.36 -3.81 0.00 5.15 -1.26 -4.75 115.26 108.29 2b8q n ASN 104 Ca -0.05 -2.24 -0.10 0.00 -0.60 0.00 0.00 54.58 51.59 2b8q n ASN 104 Cb 0.60 0.67 -0.07 0.00 -0.53 0.00 0.00 39.78 40.45 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 -1.28 0.01 0.30 1.20 -1.08 -1.26 -5.04 116.67 109.51 2b8q s ASP 105 Ca 0.12 -0.44 0.24 0.00 -0.52 0.00 0.00 52.55 51.95 2b8q s ASP 105 Cb 0.44 0.35 0.52 0.00 -1.46 0.00 0.00 42.92 42.77 2b8q s ASP 105 CO -0.12 -0.67 1.63 0.16 0.52 0.00 0.00 175.17 176.68 2b8q h ILE 106 N 2.99 0.00 0.00 4.11 -2.65 -2.03 -3.39 117.51 116.55 2b8q h ILE 106 Ca -0.33 -0.73 -0.25 0.00 1.03 0.00 0.00 64.86 64.58 2b8q h ILE 106 Cb 1.20 1.67 -0.04 0.00 -2.05 0.00 0.00 36.82 37.61 2b8q h ILE 106 CO 0.51 0.00 -1.82 -1.14 0.03 0.00 0.00 178.15 175.73 2b8q n ARG 107 N -2.63 0.32 -2.44 0.16 0.63 -1.26 -4.78 116.66 106.65 2b8q n ARG 107 Ca 0.04 0.14 -0.43 0.00 -0.92 0.00 0.00 57.85 56.68 2b8q n ARG 107 Cb 0.48 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.36 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 -3.68 3.21 -0.70 -0.14 1.02 -1.26 -4.71 120.64 114.39 2b8q n GLU 108 Ca -0.29 -3.29 0.02 0.00 -0.02 0.00 0.00 57.16 53.57 2b8q n GLU 108 Cb 0.70 -3.28 0.26 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 6.69 3.87 0.00 1.62 0.23 -1.26 -4.25 115.26 122.15 2b8q n ASN 109 Ca 0.46 -3.25 0.00 0.00 -0.53 0.00 0.00 54.58 51.26 2b8q n ASN 109 Cb 0.42 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 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 -0.54 0.00 -3.80 -4.53 4.77 -1.26 -4.81 117.00 106.84 2b8q n LEU 110 Ca 0.30 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 2b8q n LEU 110 Cb 1.07 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.08 2b8q n LEU 110 CO 0.24 0.00 -0.04 -0.51 -1.33 0.00 0.00 177.39 175.76 2b8q s ILE 111 N 0.00 0.09 -0.03 -0.08 2.07 -1.26 -0.95 121.20 121.04 2b8q s ILE 111 Ca 0.00 -0.76 0.04 0.00 -1.41 0.00 0.00 60.65 58.53 2b8q s ILE 111 Cb 0.00 -0.88 -0.00 0.00 0.13 0.00 0.00 42.46 41.71 2b8q s ILE 111 CO 0.00 -0.42 -0.15 -2.28 -1.91 0.00 0.00 174.94 170.18 2b8q s HIS 112 N -2.40 1.50 0.00 3.50 5.65 -0.35 -4.95 115.29 118.25 2b8q s HIS 112 Ca -0.06 -0.39 0.02 0.00 0.25 0.00 0.00 55.06 54.88 2b8q s HIS 112 Cb -0.02 -1.01 -0.01 0.00 -1.18 0.00 0.00 32.58 30.36 2b8q s HIS 112 CO -0.03 -0.12 -0.07 0.00 -0.65 0.00 0.00 174.74 173.88 2b8q s ALA 113 N -0.03 0.54 0.51 1.58 0.00 -1.26 -0.99 121.76 122.11 2b8q s ALA 113 Ca -0.01 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 2b8q s ALA 113 Cb -0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.86 2b8q s ALA 113 CO 0.01 0.10 1.40 -1.12 0.00 0.00 0.00 175.76 176.15 2b8q s SER 114 N -0.42 5.50 0.00 0.00 0.01 -0.96 -4.92 113.70 112.90 2b8q s SER 114 Ca 0.00 2.85 0.20 0.00 1.31 0.00 0.00 55.95 60.31 2b8q s SER 114 Cb -0.04 -2.64 0.22 0.00 0.21 0.00 0.00 66.02 63.77 2b8q s SER 114 CO -0.00 -1.43 1.18 -0.90 0.41 0.00 0.00 173.24 172.51 2b8q n ASP 115 N -0.69 2.82 -3.67 2.44 5.68 -1.26 -4.71 116.55 117.17 2b8q n ASP 115 Ca 0.08 -1.85 -0.07 0.00 -0.50 0.00 0.00 54.79 52.45 2b8q n ASP 115 Cb 0.43 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 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 -1.54 -0.19 0.23 -1.12 1.04 -1.26 -5.00 113.70 105.86 2b8q s SER 116 Ca 0.26 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 2b8q s SER 116 Cb 0.17 0.71 0.24 0.00 0.10 0.00 0.00 66.02 67.24 2b8q s SER 116 CO 0.25 -1.33 1.67 -0.33 0.98 0.00 0.00 173.24 174.48 2b8q h GLU 117 N 2.00 0.76 0.25 4.02 5.08 -1.97 -1.25 114.58 123.46 2b8q h GLU 117 Ca -0.22 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2b8q h GLU 117 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2b8q h GLU 117 CO 0.27 0.88 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.60 2b8q h ASP 118 N 0.67 -0.28 -0.64 1.42 3.32 -2.00 -2.89 116.42 116.02 2b8q h ASP 118 Ca 0.10 -0.23 0.13 0.00 0.02 0.00 0.00 57.03 57.05 2b8q h ASP 118 Cb 0.66 0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.16 2b8q h ASP 118 CO 0.05 0.12 -0.19 0.28 -1.72 0.00 0.00 179.24 177.77 2b8q h SER 119 N -0.73 -0.70 0.08 6.45 0.02 -1.95 -0.78 113.55 115.94 2b8q h SER 119 Ca -0.03 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2b8q h SER 119 Cb 0.49 0.44 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 2b8q h SER 119 CO 0.06 -0.23 -0.45 0.00 -1.14 0.00 0.00 176.83 175.07 2b8q h ALA 120 N 1.54 -0.92 -0.73 3.77 0.00 -1.19 0.40 119.26 122.12 2b8q h ALA 120 Ca 0.30 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2b8q h ALA 120 Cb 0.50 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2b8q h ALA 120 CO -0.68 -1.03 0.42 0.28 0.00 0.00 0.00 179.25 178.24 2b8q h VAL 121 N -0.62 0.97 0.39 0.00 2.07 -1.23 0.80 116.25 118.64 2b8q h VAL 121 Ca -0.00 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2b8q h VAL 121 Cb 0.63 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2b8q h VAL 121 CO -0.25 0.14 -0.19 -0.78 0.02 0.00 0.00 177.57 176.51 2b8q h ASP 122 N 0.76 -0.45 -0.57 0.57 3.58 -0.75 -2.31 116.42 117.26 2b8q h ASP 122 Ca 0.33 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 2b8q h ASP 122 Cb 0.21 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 2b8q h ASP 122 CO -0.19 -0.19 0.19 -0.33 -2.88 0.00 0.00 179.24 175.84 2b8q h GLU 123 N -0.70 0.92 -0.64 0.28 5.08 -0.04 -2.38 114.58 117.10 2b8q h GLU 123 Ca -0.05 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2b8q h GLU 123 Cb 0.50 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2b8q h GLU 123 CO 0.09 0.79 0.35 0.82 -1.00 0.00 0.00 179.01 180.07 2b8q h ILE 124 N 0.89 1.19 -0.01 3.13 2.04 -0.79 -2.13 117.51 121.83 2b8q h ILE 124 Ca 0.20 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 2b8q h ILE 124 Cb 0.26 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2b8q h ILE 124 CO -0.01 0.21 -0.61 0.77 0.00 0.00 0.00 178.15 178.51 2b8q h SER 125 N 0.88 0.04 -0.26 1.72 4.64 -0.92 0.40 113.55 120.05 2b8q h SER 125 Ca 0.23 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 2b8q h SER 125 Cb 0.01 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2b8q h SER 125 CO -0.04 0.64 0.03 0.40 -0.87 0.00 0.00 176.83 176.99 2b8q h ILE 126 N 0.02 1.24 0.00 0.95 2.04 -0.97 -3.27 117.51 117.53 2b8q h ILE 126 Ca -0.01 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2b8q h ILE 126 Cb 1.09 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2b8q h ILE 126 CO 0.08 0.26 -1.21 0.79 0.00 0.00 0.00 178.15 178.07 2b8q n TRP 127 N -4.66 0.78 -3.47 1.37 7.02 -0.95 -4.73 117.44 112.79 2b8q n TRP 127 Ca -0.03 0.23 -0.28 0.00 -1.02 0.00 0.00 57.50 56.39 2b8q n TRP 127 Cb 0.22 -0.87 -0.11 0.00 -2.42 0.00 0.00 31.31 28.12 2b8q n TRP 127 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2b8q s PHE 128 N -3.39 1.11 -2.37 -5.99 0.08 0.14 -5.03 117.98 102.54 2b8q s PHE 128 Ca -0.02 -2.08 0.29 0.00 0.12 0.00 0.00 56.93 55.24 2b8q s PHE 128 Cb 0.10 -1.07 1.28 0.00 -0.57 0.00 0.00 43.02 42.76 2b8q s PHE 128 CO 0.82 -0.81 1.88 -2.30 -0.10 0.00 0.00 175.22 174.70