#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 3.54 -4.30 0.99 4.77 -1.26 -2.05 117.00 118.69 2b8q n LEU 1 Ca 0.00 1.08 -0.16 0.00 -0.03 0.00 0.00 56.01 56.91 2b8q n LEU 1 Cb 0.00 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.49 2b8q n LEU 1 CO 0.00 -0.09 -0.26 -1.10 -1.33 0.00 0.00 177.39 174.61 2b8q s GLN 2 N 0.79 1.38 -0.03 3.23 -0.21 -0.61 -4.88 119.66 119.33 2b8q s GLN 2 Ca 0.75 -1.74 0.01 0.00 0.02 0.00 0.00 55.36 54.41 2b8q s GLN 2 Cb -0.60 -0.23 0.02 0.00 1.00 0.00 0.00 33.01 33.20 2b8q s GLN 2 CO 0.37 -0.29 -0.03 1.03 -2.12 0.00 0.00 175.29 174.26 2b8q s ARG 3 N -4.03 0.52 0.16 2.91 0.52 -1.26 -1.92 118.95 115.84 2b8q s ARG 3 Ca 0.37 -0.06 0.05 0.00 -0.52 0.00 0.00 55.73 55.57 2b8q s ARG 3 Cb 0.08 -0.58 -0.04 0.00 0.52 0.00 0.00 34.95 34.92 2b8q s ARG 3 CO 0.13 -0.04 -0.12 -0.08 0.02 0.00 0.00 175.30 175.21 2b8q s THR 4 N 0.64 1.31 -0.16 0.02 -1.32 -0.33 -4.83 115.64 110.98 2b8q s THR 4 Ca -0.07 -2.05 -0.06 0.00 -1.21 0.00 0.00 61.69 58.30 2b8q s THR 4 Cb -0.11 -1.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.00 2b8q s THR 4 CO -0.01 -0.67 0.06 -0.22 -2.21 0.00 0.00 174.62 171.57 2b8q s LEU 5 N -3.10 3.82 0.04 9.08 2.96 -1.26 -1.17 118.68 129.04 2b8q s LEU 5 Ca 0.17 0.12 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 2b8q s LEU 5 Cb 0.01 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2b8q s LEU 5 CO 0.02 0.23 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.37 2b8q s VAL 6 N 0.03 1.76 -0.09 1.68 1.01 0.30 -1.70 120.40 123.39 2b8q s VAL 6 Ca 0.05 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.86 2b8q s VAL 6 Cb -0.12 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2b8q s VAL 6 CO 0.01 0.27 -0.16 -0.76 0.00 0.00 0.00 175.10 174.46 2b8q s LEU 7 N -1.10 1.79 -0.30 3.92 1.43 -0.11 -0.39 118.68 123.92 2b8q s LEU 7 Ca 0.08 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 2b8q s LEU 7 Cb -0.09 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 2b8q s LEU 7 CO 0.01 0.06 0.33 -0.63 0.23 0.00 0.00 176.35 176.35 2b8q s ILE 8 N 0.71 5.20 0.63 -0.59 1.01 0.48 -0.64 121.20 128.01 2b8q s ILE 8 Ca -0.12 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 2b8q s ILE 8 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2b8q s ILE 8 CO 0.03 0.07 1.04 -0.54 0.00 0.00 0.00 174.94 175.54 2b8q s LYS 9 N 1.99 3.48 0.30 2.79 1.02 -0.28 -2.06 119.74 126.98 2b8q s LYS 9 Ca 0.12 0.74 0.05 0.00 0.02 0.00 0.00 55.97 56.90 2b8q s LYS 9 Cb -0.16 -2.07 0.80 0.00 -0.52 0.00 0.00 37.83 35.88 2b8q s LYS 9 CO 0.11 -0.65 1.67 -1.35 -0.92 0.00 0.00 175.35 174.20 2b8q h PRO 10 N -0.38 0.30 0.00 -1.68 0.11 -1.84 0.28 132.00 128.79 2b8q h PRO 10 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2b8q h PRO 10 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2b8q h PRO 10 CO 0.62 0.20 -0.02 0.38 -0.21 0.00 0.00 178.00 178.97 2b8q h ASP 11 N 0.31 0.00 -0.67 -2.05 2.03 -1.91 -1.27 116.42 112.85 2b8q h ASP 11 Ca 0.59 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.86 2b8q h ASP 11 Cb 1.21 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.68 2b8q h ASP 11 CO -0.60 0.02 0.30 0.00 -1.03 0.00 0.00 179.24 177.93 2b8q h ALA 12 N 1.98 0.87 -0.23 4.15 0.00 -0.68 -0.46 119.26 124.88 2b8q h ALA 12 Ca -0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2b8q h ALA 12 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2b8q h ALA 12 CO 0.00 0.46 -0.64 0.74 0.00 0.00 0.00 179.25 179.81 2b8q h PHE 13 N 0.94 1.09 -0.39 0.00 -1.00 -1.29 0.13 116.94 116.42 2b8q h PHE 13 Ca 0.23 -0.43 0.03 0.00 2.81 0.00 0.00 57.97 60.62 2b8q h PHE 13 Cb 0.16 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 2b8q h PHE 13 CO 0.01 1.26 0.19 1.49 -1.61 0.00 0.00 178.31 179.64 2b8q h GLU 14 N 0.62 0.37 -0.40 1.51 4.22 -1.10 -2.43 114.58 117.37 2b8q h GLU 14 Ca -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2b8q h GLU 14 Cb 1.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2b8q h GLU 14 CO 0.14 0.25 0.00 0.54 -2.18 0.00 0.00 179.01 177.75 2b8q n ARG 15 N -4.94 1.96 -3.84 1.92 1.74 -0.20 -4.94 116.66 108.36 2b8q n ARG 15 Ca 0.02 -1.50 -0.27 0.00 -0.77 0.00 0.00 57.85 55.33 2b8q n ARG 15 Cb 0.10 -1.34 0.03 0.00 -1.02 0.00 0.00 32.46 30.24 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 0.71 -3.67 -0.71 0.55 7.64 -0.62 -4.88 113.62 112.63 2b8q n SER 16 Ca 0.14 -0.79 0.06 0.00 1.01 0.00 0.00 58.87 59.30 2b8q n SER 16 Cb 0.36 -3.97 0.18 0.00 -1.01 0.00 0.00 64.21 59.77 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 -4.57 3.14 0.17 -3.43 4.77 0.35 -4.68 117.00 112.74 2b8q n LEU 17 Ca -0.07 -2.17 -0.14 0.00 -0.03 0.00 0.00 56.01 53.59 2b8q n LEU 17 Cb 0.58 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2b8q n LEU 17 CO 0.73 0.73 0.78 0.58 -1.33 0.00 0.00 177.39 178.88 2b8q h VAL 18 N 2.08 0.72 -0.50 4.08 2.07 -1.90 -1.06 116.25 121.73 2b8q h VAL 18 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2b8q h VAL 18 Cb 0.87 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2b8q h VAL 18 CO 0.04 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.74 2b8q h ALA 19 N 0.38 1.25 -0.10 1.67 0.00 -1.94 -1.74 119.26 118.78 2b8q h ALA 19 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2b8q h ALA 19 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2b8q h ALA 19 CO 0.05 0.52 0.06 1.49 0.00 0.00 0.00 179.25 181.36 2b8q h GLU 20 N 0.74 0.12 0.34 0.00 4.57 -1.81 0.12 114.58 118.67 2b8q h GLU 20 Ca 0.16 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2b8q h GLU 20 Cb 0.30 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2b8q h GLU 20 CO 0.00 0.08 -0.17 0.82 -1.18 0.00 0.00 179.01 178.56 2b8q h ILE 21 N 0.12 0.67 -0.18 2.32 2.04 -0.99 -2.58 117.51 118.91 2b8q h ILE 21 Ca 0.04 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2b8q h ILE 21 Cb -0.00 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2b8q h ILE 21 CO -0.02 0.07 0.14 0.24 0.00 0.00 0.00 178.15 178.58 2b8q h MET 22 N -0.67 0.00 -0.40 2.37 2.86 -1.30 -2.04 114.93 115.76 2b8q h MET 22 Ca -0.05 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 2b8q h MET 22 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2b8q h MET 22 CO 0.08 0.00 -0.33 0.78 1.06 0.00 0.00 176.91 178.50 2b8q h GLY 23 N 0.00 0.98 1.59 8.32 0.00 -0.53 -0.71 103.07 112.71 2b8q h GLY 23 Ca 0.09 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 2b8q h GLY 23 CO -0.00 0.86 -0.10 3.21 0.00 0.00 0.00 176.54 180.51 2b8q h ARG 24 N 0.75 0.50 -0.01 4.80 3.08 -0.97 0.18 114.38 122.70 2b8q h ARG 24 Ca 0.07 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 2b8q h ARG 24 Cb 0.91 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.91 2b8q h ARG 24 CO 0.08 0.61 -0.95 0.82 -1.07 0.00 0.00 179.97 179.45 2b8q h ILE 25 N 0.47 1.35 -0.54 2.04 2.04 -1.38 -3.08 117.51 118.41 2b8q h ILE 25 Ca 0.09 -2.34 -0.10 0.00 1.00 0.00 0.00 64.86 63.51 2b8q h ILE 25 Cb 0.46 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 2b8q h ILE 25 CO 0.03 0.71 -0.07 -0.08 0.00 0.00 0.00 178.15 178.73 2b8q h GLU 26 N 0.30 0.99 0.00 2.37 4.81 -0.78 -2.78 114.58 119.49 2b8q h GLU 26 Ca -0.09 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2b8q h GLU 26 Cb 1.59 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2b8q h GLU 26 CO 0.17 1.01 0.00 1.63 -0.73 0.00 0.00 179.01 181.10 2b8q n LYS 27 N -4.16 0.20 -0.01 1.92 5.02 0.02 -1.54 118.16 119.61 2b8q n LYS 27 Ca 0.02 0.41 0.14 0.00 -2.02 0.00 0.00 58.31 56.86 2b8q n LYS 27 Cb 0.38 -1.87 0.57 0.00 -0.02 0.00 0.00 35.03 34.09 2b8q n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2b8q n LYS 28 N -2.24 1.55 -0.88 1.97 3.00 -1.06 -4.93 118.16 115.58 2b8q n LYS 28 Ca 0.02 -0.81 0.00 0.00 -0.00 0.00 0.00 58.31 57.52 2b8q n LYS 28 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.80 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 -0.01 -2.64 -4.82 3.14 4.05 -0.59 -5.06 115.26 109.33 2b8q n ASN 29 Ca 0.19 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.87 2b8q n ASN 29 Cb 0.31 -0.44 -0.06 0.00 1.23 0.00 0.00 39.78 40.81 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 -2.00 3.55 0.05 1.20 0.40 -1.17 -4.94 117.98 115.07 2b8q s PHE 30 Ca 0.00 1.39 0.03 0.00 -0.60 0.00 0.00 56.93 57.76 2b8q s PHE 30 Cb 0.00 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 2b8q s PHE 30 CO 0.00 0.22 -0.00 0.15 0.70 0.00 0.00 175.22 176.29 2b8q s LYS 31 N -2.35 2.64 -0.24 0.44 -0.14 -0.54 -4.56 119.74 115.00 2b8q s LYS 31 Ca 0.48 -0.74 -0.27 0.00 -1.36 0.00 0.00 55.97 54.08 2b8q s LYS 31 Cb -0.14 -2.59 0.01 0.00 -1.68 0.00 0.00 37.83 33.42 2b8q s LYS 31 CO 0.20 0.58 0.97 0.42 -0.76 0.00 0.00 175.35 176.75 2b8q s ILE 32 N -1.20 4.72 -0.20 2.17 1.01 -1.26 -0.56 121.20 125.89 2b8q s ILE 32 Ca 0.23 1.84 -0.16 0.00 0.00 0.00 0.00 60.65 62.56 2b8q s ILE 32 Cb -0.12 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 37.99 2b8q s ILE 32 CO 0.14 -0.16 -0.08 0.52 0.00 0.00 0.00 174.94 175.36 2b8q n VAL 33 N 5.34 1.50 -4.19 2.92 0.31 0.93 -4.95 118.33 120.19 2b8q n VAL 33 Ca 0.10 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 2b8q n VAL 33 Cb 0.47 -2.15 -0.10 0.00 -0.91 0.00 0.00 33.84 31.14 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 -6.53 1.44 -0.28 4.52 0.01 -1.14 -4.97 113.70 106.74 2b8q s SER 34 Ca -0.27 -0.91 -0.22 0.00 1.31 0.00 0.00 55.95 55.87 2b8q s SER 34 Cb 0.06 0.03 0.10 0.00 0.21 0.00 0.00 66.02 66.42 2b8q s SER 34 CO 0.44 -0.33 0.85 -0.32 0.41 0.00 0.00 173.24 174.29 2b8q s MET 35 N -3.27 0.64 -0.00 12.44 0.00 -1.26 -0.76 119.30 127.09 2b8q s MET 35 Ca 0.10 0.87 0.00 0.00 0.00 0.00 0.00 55.69 56.66 2b8q s MET 35 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 34.83 35.10 2b8q s MET 35 CO -0.01 -0.09 -0.01 0.15 0.00 0.00 0.00 175.02 175.06 2b8q s LYS 36 N 0.70 0.09 -0.17 4.11 1.02 0.19 -4.99 119.74 120.69 2b8q s LYS 36 Ca -0.02 -0.01 -0.06 0.00 0.02 0.00 0.00 55.97 55.89 2b8q s LYS 36 Cb -0.05 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 2b8q s LYS 36 CO -0.08 -0.00 0.04 0.12 -0.92 0.00 0.00 175.35 174.51 2b8q s PHE 37 N 0.14 3.21 -0.20 3.18 5.36 -1.26 -1.23 117.98 127.19 2b8q s PHE 37 Ca -0.01 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 55.99 2b8q s PHE 37 Cb -0.02 -2.04 0.04 0.00 -0.34 0.00 0.00 43.02 40.66 2b8q s PHE 37 CO -0.00 0.15 -0.12 -1.58 -1.46 0.00 0.00 175.22 172.21 2b8q s TRP 38 N 0.26 2.54 0.47 10.12 0.52 -0.38 -4.97 118.94 127.51 2b8q s TRP 38 Ca 0.02 -1.66 0.17 0.00 0.02 0.00 0.00 56.10 54.66 2b8q s TRP 38 Cb -0.13 -1.70 1.16 0.00 -1.15 0.00 0.00 33.47 31.65 2b8q s TRP 38 CO 0.01 -0.76 2.06 0.66 0.02 0.00 0.00 176.95 178.93 2b8q h SER 39 N 7.95 0.00 -1.45 2.95 4.64 -1.91 -1.25 113.55 124.49 2b8q h SER 39 Ca -0.30 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.09 2b8q h SER 39 Cb 1.10 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.97 2b8q h SER 39 CO 0.50 0.12 -0.24 -0.75 -0.87 0.00 0.00 176.83 175.58 2b8q s LYS 40 N -4.73 0.55 0.20 4.77 2.20 -1.26 -2.72 119.74 118.75 2b8q s LYS 40 Ca -0.04 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 2b8q s LYS 40 Cb 0.16 0.60 -0.08 0.00 -1.51 0.00 0.00 37.83 37.00 2b8q s LYS 40 CO 0.67 -0.46 1.04 0.00 -0.36 0.00 0.00 175.35 176.24 2b8q s ALA 41 N 2.85 3.35 0.22 3.13 0.00 -1.26 -4.98 121.76 125.07 2b8q s ALA 41 Ca 0.10 0.74 -0.32 0.00 0.00 0.00 0.00 51.96 52.49 2b8q s ALA 41 Cb -0.14 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 2b8q s ALA 41 CO -0.20 -0.07 1.39 -2.30 0.00 0.00 0.00 175.76 174.58 2b8q n PRO 42 N 2.02 1.92 -0.17 0.00 -0.02 -1.26 -4.87 135.00 132.61 2b8q n PRO 42 Ca 0.01 0.68 0.04 0.00 -2.02 0.00 0.00 63.50 62.21 2b8q n PRO 42 Cb 0.47 -2.33 0.32 0.00 -0.02 0.00 0.00 33.50 31.94 2b8q n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2b8q h ARG 43 N 4.23 0.82 -0.17 -0.52 2.43 -1.98 -2.18 114.38 117.01 2b8q h ARG 43 Ca -0.45 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 2b8q h ARG 43 Cb 1.28 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2b8q h ARG 43 CO 0.76 0.54 -0.04 -2.95 -1.51 0.00 0.00 179.97 176.77 2b8q h ASN 44 N 0.84 0.23 -0.38 -3.80 -1.07 -2.00 -1.57 115.58 107.83 2b8q h ASN 44 Ca 0.28 -0.03 -0.05 0.00 0.07 0.00 0.00 56.30 56.56 2b8q h ASN 44 Cb 0.05 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 36.23 2b8q h ASN 44 CO -0.08 0.31 0.04 -0.07 0.07 0.00 0.00 177.43 177.70 2b8q h LEU 45 N 0.24 0.63 -0.40 6.14 4.07 -1.76 -1.55 115.31 122.68 2b8q h LEU 45 Ca 0.06 -0.28 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 2b8q h LEU 45 Cb 0.24 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 2b8q h LEU 45 CO 0.01 0.75 0.19 0.40 -1.08 0.00 0.00 178.44 178.71 2b8q h ILE 46 N 0.49 1.18 -0.70 1.22 1.08 -1.35 -0.82 117.51 118.61 2b8q h ILE 46 Ca 0.11 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 2b8q h ILE 46 Cb 0.40 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 2b8q h ILE 46 CO 0.01 0.19 0.23 -0.33 -0.69 0.00 0.00 178.15 177.56 2b8q h GLU 47 N 0.51 1.07 -0.31 2.37 5.08 -1.19 -1.09 114.58 121.02 2b8q h GLU 47 Ca 0.14 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2b8q h GLU 47 Cb 0.13 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2b8q h GLU 47 CO -0.02 0.91 0.03 1.96 -1.00 0.00 0.00 179.01 180.89 2b8q h GLN 48 N 1.04 0.54 -0.96 2.33 4.20 -1.12 0.11 115.11 121.24 2b8q h GLN 48 Ca 0.23 -0.16 0.16 0.00 0.06 0.00 0.00 58.65 58.94 2b8q h GLN 48 Cb 0.28 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.92 2b8q h GLN 48 CO -0.01 0.65 0.60 1.25 -0.67 0.00 0.00 178.83 180.66 2b8q h HIS 49 N 0.35 0.93 -0.36 2.96 2.76 -0.58 -0.93 115.15 120.29 2b8q h HIS 49 Ca 0.09 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.19 2b8q h HIS 49 Cb 0.39 -0.29 -0.06 0.00 1.55 0.00 0.00 27.41 29.00 2b8q h HIS 49 CO 0.03 0.30 0.02 0.66 -1.30 0.00 0.00 177.93 177.64 2b8q n TYR 50 N -4.63 1.19 -0.23 5.26 4.02 -0.46 -4.74 117.16 117.57 2b8q n TYR 50 Ca 0.20 -1.20 0.25 0.00 -0.01 0.00 0.00 57.90 57.14 2b8q n TYR 50 Cb 0.51 -0.43 0.62 0.00 -0.02 0.00 0.00 39.34 40.02 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 1.54 0.19 0.00 -0.72 2.10 0.67 0.56 116.57 120.90 2b8q h LYS 51 Ca 0.12 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2b8q h LYS 51 Cb 1.64 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 2b8q h LYS 51 CO 0.35 0.13 0.00 0.39 -2.00 0.00 0.00 179.45 178.32 2b8q n GLU 52 N -4.40 0.17 0.00 0.07 1.02 -1.26 -1.84 120.64 114.40 2b8q n GLU 52 Ca 0.20 0.17 0.06 0.00 -0.02 0.00 0.00 57.16 57.57 2b8q n GLU 52 Cb 0.87 -1.50 -0.03 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 -1.32 0.00 0.22 -0.32 8.25 0.19 -4.73 115.22 117.51 2b8q n HIS 53 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 2b8q n HIS 53 Cb 0.12 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.51 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 0.83 0.00 -0.01 0.41 4.64 -1.26 0.36 113.55 118.52 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 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2b8q h SER 54 CO 0.00 0.00 -0.43 -0.62 -0.87 0.00 0.00 176.83 174.91 2b8q n GLU 55 N -2.78 1.35 -2.11 4.77 -0.58 -1.26 -4.95 120.64 115.08 2b8q n GLU 55 Ca 0.04 -0.97 -0.32 0.00 -0.42 0.00 0.00 57.16 55.49 2b8q n GLU 55 Cb 0.96 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 30.41 2b8q n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2b8q s GLN 56 N -2.32 3.49 0.36 3.49 -1.52 0.13 -4.96 119.66 118.34 2b8q s GLN 56 Ca 0.17 1.09 0.10 0.00 -1.95 0.00 0.00 55.36 54.77 2b8q s GLN 56 Cb 0.17 -2.06 0.68 0.00 -0.22 0.00 0.00 33.01 31.58 2b8q s GLN 56 CO 0.52 -0.66 1.83 0.66 -0.25 0.00 0.00 175.29 177.40 2b8q h SER 57 N 0.47 0.16 0.67 5.90 4.64 -1.94 -2.85 113.55 120.61 2b8q h SER 57 Ca -0.46 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2b8q h SER 57 Cb 1.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2b8q h SER 57 CO 0.59 0.45 -0.13 0.00 -0.87 0.00 0.00 176.83 176.86 2b8q n TYR 58 N -4.16 0.00 -0.09 4.77 0.18 -1.26 -4.46 117.16 112.14 2b8q n TYR 58 Ca -0.01 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.62 2b8q n TYR 58 Cb 0.36 -0.34 -0.10 0.00 -0.38 0.00 0.00 39.34 38.89 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 0.15 -1.67 -0.41 -3.48 3.04 -1.75 -0.96 116.94 111.86 2b8q h PHE 59 Ca 0.00 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.03 2b8q h PHE 59 Cb 0.43 0.77 -0.02 0.00 2.56 0.00 0.00 35.95 39.69 2b8q h PHE 59 CO 0.00 -0.51 0.27 -0.91 -2.02 0.00 0.00 178.31 175.14 2b8q h ASN 60 N -0.46 0.47 -0.68 0.41 2.35 -1.82 -1.94 115.58 113.91 2b8q h ASN 60 Ca 0.06 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 2b8q h ASN 60 Cb 0.62 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2b8q h ASN 60 CO -0.54 0.35 0.22 0.44 -1.65 0.00 0.00 177.43 176.26 2b8q h ASP 61 N 0.55 1.00 -0.60 5.81 3.32 -1.80 -1.79 116.42 122.91 2b8q h ASP 61 Ca 0.15 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 2b8q h ASP 61 Cb -0.05 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 2b8q h ASP 61 CO -0.03 0.93 0.10 -1.13 -1.72 0.00 0.00 179.24 177.39 2b8q h ASN 62 N 1.03 0.96 -0.55 6.45 -0.73 -0.98 -1.21 115.58 120.56 2b8q h ASN 62 Ca 0.23 -0.26 -0.05 0.00 1.87 0.00 0.00 56.30 58.09 2b8q h ASN 62 Cb 0.29 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 2b8q h ASN 62 CO -0.01 0.98 0.16 0.00 -0.37 0.00 0.00 177.43 178.19 2b8q h ASP 64 N 0.87 1.03 -0.41 0.00 3.32 -0.92 -2.15 116.42 118.16 2b8q h ASP 64 Ca 0.19 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2b8q h ASP 64 Cb 0.28 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2b8q h ASP 64 CO -0.00 1.11 0.19 0.15 -1.72 0.00 0.00 179.24 178.97 2b8q h PHE 65 N 0.92 0.59 0.00 4.55 3.04 -0.74 -1.67 116.94 123.64 2b8q h PHE 65 Ca 0.16 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2b8q h PHE 65 Cb 0.61 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.93 2b8q h PHE 65 CO 0.04 0.49 0.00 -1.33 -2.02 0.00 0.00 178.31 175.50 2b8q n MET 66 N -4.68 0.15 -0.07 1.11 2.81 -0.19 -1.40 117.12 114.85 2b8q n MET 66 Ca 0.00 0.56 0.07 0.00 -1.81 0.00 0.00 57.70 56.52 2b8q n MET 66 Cb 0.11 -1.91 0.10 0.00 -0.71 0.00 0.00 33.22 30.82 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 -2.22 0.31 1.95 2.03 3.14 -0.70 -4.52 118.33 118.32 2b8q n VAL 67 Ca -0.00 -0.66 0.14 0.00 -2.96 0.00 0.00 64.34 60.86 2b8q n VAL 67 Cb 0.10 1.05 0.81 0.00 -1.06 0.00 0.00 33.84 34.75 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 0.82 0.13 -2.79 6.55 3.41 -0.49 -4.82 113.62 116.43 2b8q n SER 68 Ca 0.11 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2b8q n SER 68 Cb 0.40 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.96 0.55 3.71 5.00 0.00 -1.26 -5.06 105.19 109.09 2b8q n GLY 69 Ca 0.21 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.02 1.41 0.03 1.61 0.02 -1.10 -4.50 135.00 130.44 2b8q s PRO 70 Ca 0.19 1.05 -0.13 0.00 0.02 0.00 0.00 61.00 62.13 2b8q s PRO 70 Cb -0.01 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.72 2b8q s PRO 70 CO 0.01 -2.20 0.28 0.96 -0.33 0.00 0.00 177.00 175.72 2b8q s ILE 71 N -2.85 0.08 -0.10 2.83 -5.25 -0.47 -3.18 121.20 112.26 2b8q s ILE 71 Ca 0.63 -0.67 0.03 0.00 -0.99 0.00 0.00 60.65 59.66 2b8q s ILE 71 Cb -0.19 -0.83 0.00 0.00 2.95 0.00 0.00 42.46 44.40 2b8q s ILE 71 CO 0.57 -0.37 -0.21 -0.63 -1.79 0.00 0.00 174.94 172.52 2b8q s ILE 72 N -2.19 1.83 -0.17 8.37 1.01 -0.87 -1.24 121.20 127.94 2b8q s ILE 72 Ca -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 2b8q s ILE 72 Cb -0.02 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 2b8q s ILE 72 CO -0.01 0.51 0.01 -0.94 0.00 0.00 0.00 174.94 174.51 2b8q s SER 73 N 0.47 5.23 0.01 3.58 1.04 -0.36 -0.38 113.70 123.29 2b8q s SER 73 Ca -0.17 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.28 2b8q s SER 73 Cb -0.17 -1.86 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 2b8q s SER 73 CO 0.07 0.18 -0.08 -0.63 0.98 0.00 0.00 173.24 173.75 2b8q s ILE 74 N 0.31 0.64 -0.31 -1.02 1.01 0.47 -0.64 121.20 121.66 2b8q s ILE 74 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 2b8q s ILE 74 Cb -0.13 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.78 2b8q s ILE 74 CO 0.02 0.04 0.08 -0.69 0.00 0.00 0.00 174.94 174.39 2b8q s VAL 75 N -0.48 3.83 -0.08 2.92 1.01 0.07 -0.54 120.40 127.13 2b8q s VAL 75 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2b8q s VAL 75 Cb -0.05 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2b8q s VAL 75 CO 0.00 -0.01 0.16 -0.31 0.00 0.00 0.00 175.10 174.94 2b8q s TYR 76 N 1.45 3.58 -0.04 5.22 1.51 -0.32 -0.05 117.35 128.71 2b8q s TYR 76 Ca 0.01 0.46 0.06 0.00 -1.01 0.00 0.00 57.07 56.59 2b8q s TYR 76 Cb -0.18 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2b8q s TYR 76 CO 0.02 0.70 -0.22 -2.00 -1.11 0.00 0.00 175.55 172.94 2b8q s GLU 77 N -1.39 2.10 0.00 -0.62 2.12 0.28 -1.18 118.70 120.01 2b8q s GLU 77 Ca 0.20 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.72 2b8q s GLU 77 Cb -0.12 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.39 2b8q s GLU 77 CO 0.10 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 2b8q n GLY 78 N 2.82 0.90 3.66 -1.50 0.00 -0.81 -1.46 105.19 108.79 2b8q n GLY 78 Ca -0.17 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 3.55 -1.71 2.61 2.01 -1.26 -1.57 115.64 117.26 2b8q s THR 79 Ca 0.00 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.66 2b8q s THR 79 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2b8q s THR 79 CO 0.00 -0.07 0.00 -0.67 -0.69 0.00 0.00 174.62 173.19 2b8q n ASP 80 N 7.27 -5.24 -0.33 3.53 4.64 -0.87 -4.88 116.55 120.67 2b8q n ASP 80 Ca 0.18 0.18 0.11 0.00 -1.38 0.00 0.00 54.79 53.87 2b8q n ASP 80 Cb 0.43 -4.32 0.23 0.00 -1.04 0.00 0.00 41.12 36.42 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 0.50 0.98 0.55 -1.67 0.00 -1.69 -1.66 119.26 116.27 2b8q h ALA 81 Ca -0.41 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2b8q h ALA 81 Cb 1.26 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2b8q h ALA 81 CO 0.52 -0.50 -0.41 0.82 0.00 0.00 0.00 179.25 179.68 2b8q h ILE 82 N 0.02 0.17 -0.11 0.00 2.04 -1.88 -0.25 117.51 117.51 2b8q h ILE 82 Ca 0.54 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.39 2b8q h ILE 82 Cb 1.02 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2b8q h ILE 82 CO -0.90 0.00 0.04 -1.28 0.00 0.00 0.00 178.15 176.01 2b8q h SER 83 N -0.93 0.16 -0.41 1.72 0.87 -1.80 -2.19 113.55 110.97 2b8q h SER 83 Ca -0.06 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2b8q h SER 83 Cb 0.79 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2b8q h SER 83 CO 0.02 0.30 0.26 0.11 -0.53 0.00 0.00 176.83 176.99 2b8q h LYS 84 N 0.00 0.52 0.00 2.24 1.79 -1.30 -1.25 116.57 118.57 2b8q h LYS 84 Ca 0.04 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2b8q h LYS 84 Cb 0.20 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2b8q h LYS 84 CO -0.00 0.34 -0.38 0.82 -1.08 0.00 0.00 179.45 179.15 2b8q h ILE 85 N 0.53 1.21 -0.60 1.86 2.04 -1.07 -1.82 117.51 119.66 2b8q h ILE 85 Ca 0.15 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.59 2b8q h ILE 85 Cb -0.04 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2b8q h ILE 85 CO -0.04 0.37 0.01 0.03 0.00 0.00 0.00 178.15 178.52 2b8q h ARG 86 N 0.00 1.05 -0.02 2.37 2.47 -0.74 -1.61 114.38 117.90 2b8q h ARG 86 Ca -0.00 -0.33 -0.15 0.00 -1.26 0.00 0.00 59.98 58.24 2b8q h ARG 86 Cb 0.70 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 2b8q h ARG 86 CO 0.05 1.02 -0.67 0.00 0.56 0.00 0.00 179.97 180.93 2b8q h ARG 87 N 0.96 0.08 -0.37 0.04 3.08 -0.92 -2.18 114.38 115.07 2b8q h ARG 87 Ca 0.17 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2b8q h ARG 87 Cb 0.54 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2b8q h ARG 87 CO 0.03 0.72 0.11 1.25 -1.07 0.00 0.00 179.97 181.00 2b8q h LEU 88 N 0.05 0.54 -0.48 3.04 5.85 -1.05 -2.60 115.31 120.67 2b8q h LEU 88 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2b8q h LEU 88 Cb 1.19 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2b8q h LEU 88 CO 0.09 0.61 0.31 -0.61 -0.34 0.00 0.00 178.44 178.51 2b8q h GLN 89 N 0.44 0.64 0.00 1.25 4.15 -1.18 0.11 115.11 120.53 2b8q h GLN 89 Ca 0.12 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2b8q h GLN 89 Cb 0.27 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2b8q h GLN 89 CO -0.00 0.43 0.00 0.41 -1.93 0.00 0.00 178.83 177.74 2b8q n GLY 90 N -1.21 2.22 3.46 2.39 0.00 -0.83 -1.72 105.19 109.49 2b8q n GLY 90 Ca 0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 1.61 2.20 -1.26 -4.81 114.94 108.66 2b8q s ASN 91 Ca 0.00 -1.02 0.10 0.00 -0.94 0.00 0.00 52.86 51.00 2b8q s ASN 91 Cb 0.00 0.51 0.54 0.00 -2.00 0.00 0.00 41.25 40.30 2b8q s ASN 91 CO 0.00 -1.03 1.12 2.30 -2.94 0.00 0.00 177.10 176.55 2b8q n ILE 92 N -0.33 0.42 0.75 0.54 -5.35 -1.26 -1.53 119.36 112.61 2b8q n ILE 92 Ca -0.02 0.11 0.08 0.00 -0.27 0.00 0.00 62.75 62.65 2b8q n ILE 92 Cb 0.63 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 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 -1.15 1.74 -4.13 7.28 4.77 -1.26 -4.63 117.00 119.61 2b8q n LEU 93 Ca 0.06 -0.78 -0.37 0.00 -0.03 0.00 0.00 56.01 54.88 2b8q n LEU 93 Cb 0.06 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2b8q n LEU 93 CO 0.07 0.33 -0.06 -0.89 -1.33 0.00 0.00 177.39 175.50 2b8q s THR 94 N -1.93 3.64 0.53 -5.08 2.01 -0.70 -5.03 115.64 109.08 2b8q s THR 94 Ca 0.14 -2.30 -0.21 0.00 0.31 0.00 0.00 61.69 59.63 2b8q s THR 94 Cb 0.14 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.15 2b8q s THR 94 CO 0.41 -0.77 1.14 -2.65 -0.69 0.00 0.00 174.62 172.05 2b8q n PRO 95 N 4.29 1.35 0.00 4.92 -0.02 -1.26 -2.61 135.00 141.67 2b8q n PRO 95 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2b8q n PRO 95 Cb 0.40 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.04 2.70 4.00 -1.23 0.00 -1.26 -4.95 105.19 105.49 2b8q n GLY 96 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.70 2.53 0.07 2.61 -4.23 -1.07 -4.93 115.64 107.91 2b8q s THR 97 Ca 0.00 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 2b8q s THR 97 Cb 0.00 -2.73 -0.18 0.00 1.34 0.00 0.00 72.50 70.94 2b8q s THR 97 CO 0.00 0.00 1.60 0.40 -0.54 0.00 0.00 174.62 176.08 2b8q h ILE 98 N 0.10 0.58 -0.09 2.99 2.04 -0.99 -1.13 117.51 121.01 2b8q h ILE 98 Ca -0.38 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 2b8q h ILE 98 Cb 1.28 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2b8q h ILE 98 CO 0.46 0.02 -0.42 0.03 0.00 0.00 0.00 178.15 178.23 2b8q h ARG 99 N -0.63 0.20 -0.20 2.37 3.08 -1.57 -0.16 114.38 117.47 2b8q h ARG 99 Ca -0.06 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2b8q h ARG 99 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2b8q h ARG 99 CO 0.10 0.59 -0.27 0.78 -1.07 0.00 0.00 179.97 180.10 2b8q h GLY 100 N 1.25 0.41 0.61 0.04 0.00 -1.14 -1.01 103.07 103.24 2b8q h GLY 100 Ca 0.01 -0.33 -0.34 0.00 0.00 0.00 0.00 47.33 46.67 2b8q h GLY 100 CO 0.06 0.31 -1.99 1.22 0.00 0.00 0.00 176.54 176.14 2b8q n ASP 101 N -4.12 1.25 -0.00 0.19 8.00 -0.44 -4.48 116.55 116.95 2b8q n ASP 101 Ca -0.01 0.23 0.03 0.00 0.71 0.00 0.00 54.79 55.75 2b8q n ASP 101 Cb 0.40 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -3.16 0.18 -4.63 0.64 4.77 -0.08 -5.05 117.00 109.67 2b8q n LEU 102 Ca -0.27 -0.36 -0.25 0.00 -0.03 0.00 0.00 56.01 55.10 2b8q n LEU 102 Cb 1.06 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.07 2b8q n LEU 102 CO 0.42 0.05 -0.35 0.00 -1.33 0.00 0.00 177.39 176.17 2b8q s ALA 103 N -1.75 3.11 -0.30 -1.18 0.00 -0.38 -5.01 121.76 116.25 2b8q s ALA 103 Ca 0.01 -1.56 0.14 0.00 0.00 0.00 0.00 51.96 50.55 2b8q s ALA 103 Cb 0.04 -0.80 0.40 0.00 0.00 0.00 0.00 23.12 22.77 2b8q s ALA 103 CO 0.22 0.35 1.44 -1.71 0.00 0.00 0.00 175.76 176.06 2b8q n ASN 104 N -0.52 -0.90 -3.95 0.00 5.15 -1.26 -4.68 115.26 109.10 2b8q n ASN 104 Ca -0.08 -2.17 -0.09 0.00 -0.60 0.00 0.00 54.58 51.64 2b8q n ASN 104 Cb 0.57 0.46 -0.09 0.00 -0.53 0.00 0.00 39.78 40.19 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 -1.58 0.22 0.20 1.20 -1.08 -1.26 -5.05 116.67 109.32 2b8q s ASP 105 Ca 0.12 -0.61 0.09 0.00 -0.52 0.00 0.00 52.55 51.63 2b8q s ASP 105 Cb 0.40 0.23 0.09 0.00 -1.46 0.00 0.00 42.92 42.18 2b8q s ASP 105 CO -0.11 -0.53 1.45 -0.29 0.52 0.00 0.00 175.17 176.21 2b8q h ILE 106 N 3.54 1.54 0.00 4.11 6.09 -2.02 -3.40 117.51 127.37 2b8q h ILE 106 Ca -0.33 -2.72 -0.30 0.00 -1.37 0.00 0.00 64.86 60.14 2b8q h ILE 106 Cb 1.18 2.48 -0.04 0.00 0.47 0.00 0.00 36.82 40.90 2b8q h ILE 106 CO 0.53 0.77 -2.00 -1.14 -3.07 0.00 0.00 178.15 173.24 2b8q n ARG 107 N -3.56 0.38 -2.57 2.19 0.63 -1.26 -4.76 116.66 107.71 2b8q n ARG 107 Ca -0.00 0.16 -0.43 0.00 -0.92 0.00 0.00 57.85 56.66 2b8q n ARG 107 Cb 0.77 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.54 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 -3.77 3.21 -1.11 -0.14 1.02 -1.26 -4.69 120.64 113.89 2b8q n GLU 108 Ca -0.35 -3.33 -0.11 0.00 -0.02 0.00 0.00 57.16 53.34 2b8q n GLU 108 Cb 0.75 -3.38 0.15 0.00 -0.02 0.00 0.00 31.44 28.94 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 7.54 3.46 0.00 1.62 0.23 -1.26 -4.19 115.26 122.66 2b8q n ASN 109 Ca 0.47 -3.80 0.00 0.00 -0.53 0.00 0.00 54.58 50.72 2b8q n ASN 109 Cb 0.44 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 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 -1.02 0.00 -3.85 -4.53 4.77 -1.26 -4.80 117.00 106.31 2b8q n LEU 110 Ca 0.38 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2b8q n LEU 110 Cb 0.97 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.97 2b8q n LEU 110 CO 0.29 0.00 -0.11 -0.51 -1.33 0.00 0.00 177.39 175.72 2b8q s ILE 111 N 0.00 0.10 -0.00 -0.08 2.07 -1.26 -1.12 121.20 120.90 2b8q s ILE 111 Ca 0.00 -0.82 0.06 0.00 -1.41 0.00 0.00 60.65 58.49 2b8q s ILE 111 Cb 0.00 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.81 2b8q s ILE 111 CO 0.00 -0.45 -0.20 -2.28 -1.91 0.00 0.00 174.94 170.10 2b8q s HIS 112 N -2.14 1.76 -0.06 3.50 5.65 0.19 -4.96 115.29 119.23 2b8q s HIS 112 Ca -0.08 -0.34 -0.04 0.00 0.25 0.00 0.00 55.06 54.84 2b8q s HIS 112 Cb -0.03 -1.12 0.02 0.00 -1.18 0.00 0.00 32.58 30.28 2b8q s HIS 112 CO -0.02 -0.00 0.14 0.00 -0.65 0.00 0.00 174.74 174.21 2b8q s ALA 113 N -0.54 -0.31 0.32 1.58 0.00 -1.26 -0.93 121.76 120.62 2b8q s ALA 113 Ca 0.07 0.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 2b8q s ALA 113 Cb -0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 23.12 22.60 2b8q s ALA 113 CO -0.00 -0.10 1.07 0.43 0.00 0.00 0.00 175.76 177.16 2b8q n SER 114 N 3.46 1.59 -0.86 0.00 7.64 -0.69 -4.92 113.62 119.84 2b8q n SER 114 Ca -0.18 1.17 0.10 0.00 1.01 0.00 0.00 58.87 60.97 2b8q n SER 114 Cb 0.56 -1.34 0.10 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.04 2.81 -3.81 6.43 5.68 -1.26 -4.75 116.55 122.70 2b8q n ASP 115 Ca 0.08 -1.87 -0.06 0.00 -0.50 0.00 0.00 54.79 52.44 2b8q n ASP 115 Cb 0.34 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 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 -1.66 -0.24 0.19 -1.12 1.04 -1.26 -4.99 113.70 105.66 2b8q s SER 116 Ca 0.26 -0.52 -0.08 0.00 0.48 0.00 0.00 55.95 56.09 2b8q s SER 116 Cb 0.18 0.64 0.10 0.00 0.10 0.00 0.00 66.02 67.04 2b8q s SER 116 CO 0.26 -1.19 1.65 -0.33 0.98 0.00 0.00 173.24 174.62 2b8q h GLU 117 N 2.00 1.04 -0.02 4.02 5.08 -1.97 -0.52 114.58 124.21 2b8q h GLU 117 Ca -0.21 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2b8q h GLU 117 Cb 1.25 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2b8q h GLU 117 CO 0.24 1.02 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.83 2b8q h ASP 118 N 0.94 0.04 -0.66 1.42 3.32 -1.99 -0.81 116.42 118.69 2b8q h ASP 118 Ca 0.17 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2b8q h ASP 118 Cb 0.56 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2b8q h ASP 118 CO 0.03 0.41 0.44 0.77 -1.72 0.00 0.00 179.24 179.17 2b8q h SER 119 N -0.33 0.75 -0.12 6.45 4.64 -1.95 0.23 113.55 123.22 2b8q h SER 119 Ca 0.01 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2b8q h SER 119 Cb 0.39 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2b8q h SER 119 CO 0.00 0.53 0.04 0.00 -0.87 0.00 0.00 176.83 176.54 2b8q h ALA 120 N 1.59 0.16 -0.45 5.18 0.00 -0.95 0.46 119.26 125.25 2b8q h ALA 120 Ca 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2b8q h ALA 120 Cb -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2b8q h ALA 120 CO -0.06 -0.24 0.21 0.28 0.00 0.00 0.00 179.25 179.44 2b8q h VAL 121 N 0.02 1.19 0.29 0.00 2.07 -0.43 -0.61 116.25 118.78 2b8q h VAL 121 Ca 0.04 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2b8q h VAL 121 Cb 0.20 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2b8q h VAL 121 CO -0.00 0.20 -0.14 -0.78 0.02 0.00 0.00 177.57 176.87 2b8q h ASP 122 N 0.59 -0.33 -0.65 0.57 1.82 -0.43 -2.91 116.42 115.09 2b8q h ASP 122 Ca 0.15 -0.16 0.08 0.00 -0.39 0.00 0.00 57.03 56.72 2b8q h ASP 122 Cb 0.13 0.08 -0.07 0.00 0.68 0.00 0.00 39.33 40.15 2b8q h ASP 122 CO -0.02 -0.01 0.30 -0.33 -1.61 0.00 0.00 179.24 177.57 2b8q h GLU 123 N -0.66 0.52 -0.65 0.28 5.08 -0.01 -1.89 114.58 117.25 2b8q h GLU 123 Ca -0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2b8q h GLU 123 Cb 0.46 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2b8q h GLU 123 CO 0.06 0.34 0.38 0.82 -1.00 0.00 0.00 179.01 179.62 2b8q h ILE 124 N 0.53 1.18 0.00 3.13 2.04 -1.14 -1.53 117.51 121.73 2b8q h ILE 124 Ca 0.31 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2b8q h ILE 124 Cb 0.32 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2b8q h ILE 124 CO -0.26 0.19 -0.06 0.77 0.00 0.00 0.00 178.15 178.80 2b8q h SER 125 N 0.89 0.00 -0.08 1.72 4.64 -1.15 0.22 113.55 119.79 2b8q h SER 125 Ca 0.23 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.43 2b8q h SER 125 Cb -0.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2b8q h SER 125 CO -0.04 0.06 -0.41 0.40 -0.87 0.00 0.00 176.83 175.96 2b8q h ILE 126 N 0.00 1.40 0.00 0.95 2.04 -0.70 -2.41 117.51 118.79 2b8q h ILE 126 Ca -0.00 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.07 2b8q h ILE 126 Cb 0.72 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2b8q h ILE 126 CO 0.01 0.52 -0.99 0.79 0.00 0.00 0.00 178.15 178.48 2b8q n TRP 127 N -4.33 0.65 -3.13 1.37 7.02 -0.99 -4.42 117.44 113.61 2b8q n TRP 127 Ca -0.08 0.19 -0.19 0.00 -1.02 0.00 0.00 57.50 56.40 2b8q n TRP 127 Cb 0.55 -0.74 -0.03 0.00 -2.42 0.00 0.00 31.31 28.67 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 -2.36 0.70 0.31 -5.99 3.72 0.77 -4.92 117.46 109.68 2b8q n PHE 128 Ca 0.01 -3.79 0.18 0.00 -0.05 0.00 0.00 57.45 53.79 2b8q n PHE 128 Cb 0.50 -0.42 1.02 0.00 -0.94 0.00 0.00 39.48 39.64 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 3.00 0.00 -2.47 -1.08 0.13 -1.59 -3.20 132.00 126.78 2b8q h PRO 129 Ca 0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.19 2b8q h PRO 129 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2b8q h PRO 129 CO 0.54 0.00 0.16 0.39 -0.23 0.00 0.00 178.00 178.86 2b8q n GLU 130 N -3.57 0.50 0.00 0.86 4.71 -1.26 -5.05 120.64 116.82 2b8q n GLU 130 Ca -0.03 -0.20 0.00 0.00 -0.01 0.00 0.00 57.16 56.92 2b8q n GLU 130 Cb 0.08 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 2b8q n GLU 130 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85