#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8q n GLN 2 N 0.00 0.68 -4.30 1.96 6.02 -0.37 -4.87 117.38 116.50 2b8q n GLN 2 Ca 0.00 -2.31 -0.20 0.00 -0.01 0.00 0.00 57.00 54.48 2b8q n GLN 2 Cb 0.00 1.29 -0.13 0.00 1.02 0.00 0.00 30.24 32.42 2b8q n GLN 2 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2b8q s ARG 3 N -3.04 0.90 0.04 -1.09 1.81 -1.26 -2.50 118.95 113.82 2b8q s ARG 3 Ca 0.14 -0.82 -0.10 0.00 -1.72 0.00 0.00 55.73 53.24 2b8q s ARG 3 Cb 0.01 -0.92 0.01 0.00 -0.45 0.00 0.00 34.95 33.59 2b8q s ARG 3 CO 0.10 0.22 0.21 -0.08 -0.68 0.00 0.00 175.30 175.07 2b8q s THR 4 N -0.97 0.11 -0.16 0.02 -1.32 -0.24 -4.66 115.64 108.41 2b8q s THR 4 Ca 0.01 -0.89 -0.06 0.00 -1.21 0.00 0.00 61.69 59.54 2b8q s THR 4 Cb -0.08 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2b8q s THR 4 CO 0.02 -0.49 0.04 -0.22 -2.21 0.00 0.00 174.62 171.75 2b8q s LEU 5 N -2.15 3.71 -0.02 9.08 2.96 -1.26 -1.05 118.68 129.94 2b8q s LEU 5 Ca -0.04 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2b8q s LEU 5 Cb -0.01 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2b8q s LEU 5 CO -0.04 0.22 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.34 2b8q s VAL 6 N 0.09 1.41 -0.05 1.68 1.01 0.34 -2.27 120.40 122.62 2b8q s VAL 6 Ca 0.04 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.33 2b8q s VAL 6 Cb -0.12 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2b8q s VAL 6 CO 0.01 0.40 -0.22 -0.76 0.00 0.00 0.00 175.10 174.53 2b8q s LEU 7 N -0.27 2.26 -0.36 3.92 1.43 -0.58 -0.92 118.68 124.15 2b8q s LEU 7 Ca 0.03 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 2b8q s LEU 7 Cb -0.08 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.77 2b8q s LEU 7 CO 0.00 0.29 0.15 -0.63 0.23 0.00 0.00 176.35 176.39 2b8q s ILE 8 N -0.42 3.88 0.87 -0.59 1.01 -0.53 -1.36 121.20 124.05 2b8q s ILE 8 Ca 0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 60.65 59.34 2b8q s ILE 8 Cb -0.12 -3.27 0.11 0.00 0.01 0.00 0.00 42.46 39.20 2b8q s ILE 8 CO 0.01 -0.29 1.10 -0.54 0.00 0.00 0.00 174.94 175.22 2b8q s LYS 9 N 1.40 1.49 0.41 2.79 1.02 -0.61 -2.30 119.74 123.94 2b8q s LYS 9 Ca 0.00 1.07 0.17 0.00 0.02 0.00 0.00 55.97 57.23 2b8q s LYS 9 Cb -0.20 -1.82 1.07 0.00 -0.52 0.00 0.00 37.83 36.35 2b8q s LYS 9 CO 0.02 -2.15 1.86 -1.35 -0.92 0.00 0.00 175.35 172.81 2b8q h PRO 10 N -1.50 0.41 -0.06 -1.68 0.11 -1.81 -0.80 132.00 126.68 2b8q h PRO 10 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2b8q h PRO 10 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2b8q h PRO 10 CO 0.51 0.27 -0.20 0.38 -0.21 0.00 0.00 178.00 178.75 2b8q h ASP 11 N 0.42 0.09 -0.50 -2.05 2.03 -1.92 -1.42 116.42 113.07 2b8q h ASP 11 Ca 0.47 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 2b8q h ASP 11 Cb 1.13 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.58 2b8q h ASP 11 CO -0.18 0.30 0.33 0.00 -1.03 0.00 0.00 179.24 178.66 2b8q h ALA 12 N 1.71 0.64 -0.50 4.15 0.00 -1.42 0.76 119.26 124.61 2b8q h ALA 12 Ca 0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2b8q h ALA 12 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2b8q h ALA 12 CO 0.03 0.08 -0.16 0.74 0.00 0.00 0.00 179.25 179.94 2b8q h PHE 13 N 0.68 1.12 -0.64 0.00 -1.00 -1.50 -0.12 116.94 115.49 2b8q h PHE 13 Ca 0.18 -0.26 0.07 0.00 2.81 0.00 0.00 57.97 60.78 2b8q h PHE 13 Cb -0.08 -0.27 -0.06 0.00 3.61 0.00 0.00 35.95 39.15 2b8q h PHE 13 CO -0.04 1.07 0.31 1.49 -1.61 0.00 0.00 178.31 179.53 2b8q h GLU 14 N 0.85 0.54 -0.71 1.51 4.22 -0.60 -2.65 114.58 117.74 2b8q h GLU 14 Ca 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.53 2b8q h GLU 14 Cb 0.74 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2b8q h GLU 14 CO 0.06 0.36 0.00 0.54 -2.18 0.00 0.00 179.01 177.79 2b8q n ARG 15 N -4.88 3.18 -3.76 1.92 1.74 0.20 -4.97 116.66 110.10 2b8q n ARG 15 Ca 0.08 -2.77 -0.25 0.00 -0.77 0.00 0.00 57.85 54.15 2b8q n ARG 15 Cb 0.22 -1.72 0.04 0.00 -1.02 0.00 0.00 32.46 29.97 2b8q n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2b8q n SER 16 N 1.45 -2.99 -0.52 0.55 7.64 -0.62 -4.90 113.62 114.23 2b8q n SER 16 Ca 0.25 -0.77 0.05 0.00 1.01 0.00 0.00 58.87 59.41 2b8q n SER 16 Cb 0.75 -4.13 0.11 0.00 -1.01 0.00 0.00 64.21 59.92 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 -4.48 2.54 0.21 -3.43 4.77 -0.16 -4.75 117.00 111.70 2b8q n LEU 17 Ca -0.15 -1.71 -0.16 0.00 -0.03 0.00 0.00 56.01 53.96 2b8q n LEU 17 Cb 0.61 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2b8q n LEU 17 CO 0.70 0.61 0.60 0.58 -1.33 0.00 0.00 177.39 178.55 2b8q h VAL 18 N 1.85 0.20 -0.78 4.08 2.07 -1.91 -0.09 116.25 121.67 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 0.62 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2b8q h VAL 18 CO 0.00 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.98 2b8q h ALA 19 N -0.36 1.01 -0.35 1.67 0.00 -1.95 -0.12 119.26 119.16 2b8q h ALA 19 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2b8q h ALA 19 Cb 0.71 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2b8q h ALA 19 CO -0.10 0.55 0.02 1.49 0.00 0.00 0.00 179.25 181.21 2b8q h GLU 20 N 1.10 0.13 0.13 0.00 4.57 -1.81 0.67 114.58 119.36 2b8q h GLU 20 Ca 0.27 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 2b8q h GLU 20 Cb 0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2b8q h GLU 20 CO -0.04 0.08 -0.06 0.82 -1.18 0.00 0.00 179.01 178.63 2b8q h ILE 21 N 0.13 1.02 -0.28 2.32 2.04 -0.68 -2.75 117.51 119.32 2b8q h ILE 21 Ca 0.17 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2b8q h ILE 21 Cb 0.22 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2b8q h ILE 21 CO -0.26 0.16 0.16 0.24 0.00 0.00 0.00 178.15 178.45 2b8q h MET 22 N -0.52 0.37 -0.32 2.37 2.86 -0.83 -2.45 114.93 116.40 2b8q h MET 22 Ca -0.02 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2b8q h MET 22 Cb 0.41 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2b8q h MET 22 CO 0.03 0.27 -0.16 0.78 1.06 0.00 0.00 176.91 178.89 2b8q h GLY 23 N 0.43 0.63 2.00 8.32 0.00 0.46 -2.06 103.07 112.85 2b8q h GLY 23 Ca 0.10 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2b8q h GLY 23 CO -0.02 0.44 -0.38 3.21 0.00 0.00 0.00 176.54 179.79 2b8q h ARG 24 N 0.53 0.00 0.20 4.80 3.08 -1.14 -1.07 114.38 120.78 2b8q h ARG 24 Ca 0.09 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.82 2b8q h ARG 24 Cb 0.58 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.66 2b8q h ARG 24 CO 0.04 0.38 -1.37 0.82 -1.07 0.00 0.00 179.97 178.77 2b8q h ILE 25 N 0.00 1.34 -0.64 2.04 2.04 -1.48 -3.19 117.51 117.62 2b8q h ILE 25 Ca -0.00 -2.74 -0.03 0.00 1.00 0.00 0.00 64.86 63.09 2b8q h ILE 25 Cb 0.78 2.95 -0.03 0.00 -0.74 0.00 0.00 36.82 39.78 2b8q h ILE 25 CO 0.05 0.82 0.26 -0.08 0.00 0.00 0.00 178.15 179.20 2b8q h GLU 26 N 0.16 0.95 0.00 2.37 4.81 -1.17 -2.40 114.58 119.29 2b8q h GLU 26 Ca -0.21 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2b8q h GLU 26 Cb 2.07 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.29 2b8q h GLU 26 CO 0.25 0.79 0.00 0.87 -0.73 0.00 0.00 179.01 180.19 2b8q h LYS 27 N 0.89 0.00 -0.06 1.92 1.57 -1.28 -0.75 116.57 118.86 2b8q h LYS 27 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2b8q h LYS 27 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2b8q h LYS 27 CO -0.02 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.03 2b8q n LYS 28 N -2.88 1.36 -2.17 3.15 3.00 -0.91 -4.91 118.16 114.79 2b8q n LYS 28 Ca 0.00 -0.54 -0.06 0.00 -0.00 0.00 0.00 58.31 57.71 2b8q n LYS 28 Cb 0.24 -1.38 -0.00 0.00 0.00 0.00 0.00 35.03 33.89 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 -0.27 -2.39 -4.89 3.14 4.05 -0.29 -5.06 115.26 109.56 2b8q n ASN 29 Ca 0.17 -0.02 -0.33 0.00 0.45 0.00 0.00 54.58 54.85 2b8q n ASN 29 Cb 0.21 -1.68 -0.05 0.00 1.23 0.00 0.00 39.78 39.49 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 -2.35 3.54 0.15 1.20 0.40 -1.16 -4.90 117.98 114.86 2b8q s PHE 30 Ca 0.02 0.52 0.06 0.00 -0.60 0.00 0.00 56.93 56.93 2b8q s PHE 30 Cb -0.01 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2b8q s PHE 30 CO 0.02 0.56 0.03 0.15 0.70 0.00 0.00 175.22 176.69 2b8q s LYS 31 N -2.10 2.57 -0.34 0.44 -0.14 -0.33 -4.52 119.74 115.33 2b8q s LYS 31 Ca 0.32 -0.96 -0.24 0.00 -1.36 0.00 0.00 55.97 53.73 2b8q s LYS 31 Cb -0.13 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.54 2b8q s LYS 31 CO 0.20 0.49 0.82 0.42 -0.76 0.00 0.00 175.35 176.52 2b8q s ILE 32 N -1.61 4.73 -0.19 2.17 1.01 -1.26 -0.17 121.20 125.88 2b8q s ILE 32 Ca 0.28 1.09 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 2b8q s ILE 32 Cb -0.10 -4.21 -0.21 0.00 0.01 0.00 0.00 42.46 37.95 2b8q s ILE 32 CO 0.20 -0.37 0.34 0.58 0.00 0.00 0.00 174.94 175.68 2b8q h VAL 33 N 5.69 1.08 -3.54 2.92 2.07 -1.06 -3.48 116.25 119.94 2b8q h VAL 33 Ca -0.24 -2.22 -0.10 0.00 0.82 0.00 0.00 66.70 64.96 2b8q h VAL 33 Cb 1.09 2.47 -0.16 0.00 -1.52 0.00 0.00 31.29 33.16 2b8q h VAL 33 CO 0.91 0.40 -0.34 -0.94 0.02 0.00 0.00 177.57 177.62 2b8q s SER 34 N -6.75 -0.00 -0.26 0.57 1.04 -1.22 -5.00 113.70 102.08 2b8q s SER 34 Ca -0.26 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 2b8q s SER 34 Cb 0.04 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.56 2b8q s SER 34 CO 0.62 -0.62 0.64 -0.32 0.98 0.00 0.00 173.24 174.54 2b8q s MET 35 N -2.88 0.65 -0.03 4.02 0.00 -1.26 -0.41 119.30 119.39 2b8q s MET 35 Ca -0.03 1.14 0.04 0.00 0.00 0.00 0.00 55.69 56.84 2b8q s MET 35 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 34.83 34.95 2b8q s MET 35 CO -0.06 -0.15 -0.14 0.15 0.00 0.00 0.00 175.02 174.83 2b8q s LYS 36 N 1.56 1.41 -0.31 4.11 1.02 0.67 -4.98 119.74 123.23 2b8q s LYS 36 Ca -0.10 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.31 2b8q s LYS 36 Cb -0.06 -1.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2b8q s LYS 36 CO -0.18 0.21 0.14 0.12 -0.92 0.00 0.00 175.35 174.71 2b8q s PHE 37 N 0.05 3.17 -0.36 3.18 5.36 -1.26 -0.24 117.98 127.88 2b8q s PHE 37 Ca -0.02 -0.71 -0.11 0.00 -0.96 0.00 0.00 56.93 55.13 2b8q s PHE 37 Cb -0.10 -2.33 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 2b8q s PHE 37 CO 0.01 -0.50 0.21 -1.58 -1.46 0.00 0.00 175.22 171.90 2b8q s TRP 38 N 1.58 3.23 0.61 10.12 0.52 -0.61 -4.92 118.94 129.46 2b8q s TRP 38 Ca 0.04 -0.78 0.39 0.00 0.02 0.00 0.00 56.10 55.77 2b8q s TRP 38 Cb -0.17 -2.44 2.13 0.00 -1.15 0.00 0.00 33.47 31.84 2b8q s TRP 38 CO 0.05 -0.58 2.20 0.66 0.02 0.00 0.00 176.95 179.30 2b8q h SER 39 N 8.44 0.00 -1.26 2.95 4.64 -1.93 -2.06 113.55 124.33 2b8q h SER 39 Ca -0.28 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.19 2b8q h SER 39 Cb 1.12 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.98 2b8q h SER 39 CO 0.66 0.00 0.11 -0.75 -0.87 0.00 0.00 176.83 175.98 2b8q s LYS 40 N -4.09 0.38 -0.04 4.77 2.20 -1.26 -3.44 119.74 118.25 2b8q s LYS 40 Ca -0.04 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.20 2b8q s LYS 40 Cb 0.11 0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.96 2b8q s LYS 40 CO 0.36 -0.15 1.09 0.00 -0.36 0.00 0.00 175.35 176.29 2b8q s ALA 41 N 2.61 3.37 0.04 3.13 0.00 -1.26 -4.97 121.76 124.68 2b8q s ALA 41 Ca -0.03 0.56 -0.35 0.00 0.00 0.00 0.00 51.96 52.14 2b8q s ALA 41 Cb -0.08 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 2b8q s ALA 41 CO -0.18 -0.54 1.59 -2.30 0.00 0.00 0.00 175.76 174.34 2b8q n PRO 42 N 4.64 1.77 -0.28 0.00 -0.02 -1.26 -4.83 135.00 135.02 2b8q n PRO 42 Ca 0.09 0.64 0.25 0.00 -2.02 0.00 0.00 63.50 62.46 2b8q n PRO 42 Cb 0.48 -2.38 0.58 0.00 -0.02 0.00 0.00 33.50 32.16 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 6.37 0.27 -0.72 -0.52 2.43 -1.98 -1.59 114.38 118.64 2b8q h ARG 43 Ca -0.47 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 2b8q h ARG 43 Cb 1.29 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2b8q h ARG 43 CO 0.88 0.18 0.26 -2.95 -1.51 0.00 0.00 179.97 176.82 2b8q h ASN 44 N 0.28 1.02 -0.36 -3.80 -1.07 -1.99 0.62 115.58 110.27 2b8q h ASN 44 Ca 0.53 -0.19 0.02 0.00 0.07 0.00 0.00 56.30 56.74 2b8q h ASN 44 Cb 1.57 -0.27 -0.03 0.00 -2.07 0.00 0.00 38.32 37.53 2b8q h ASN 44 CO -0.18 0.93 0.19 -0.07 0.07 0.00 0.00 177.43 178.37 2b8q h LEU 45 N 1.04 0.28 -0.27 6.14 4.07 -1.65 0.07 115.31 124.99 2b8q h LEU 45 Ca 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.19 2b8q h LEU 45 Cb 0.26 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2b8q h LEU 45 CO -0.01 0.21 0.09 0.40 -1.08 0.00 0.00 178.44 178.04 2b8q h ILE 46 N 0.38 1.19 -0.90 1.22 1.08 -1.38 0.43 117.51 119.54 2b8q h ILE 46 Ca 0.15 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 2b8q h ILE 46 Cb 0.05 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 2b8q h ILE 46 CO -0.10 0.20 0.60 -0.33 -0.69 0.00 0.00 178.15 177.83 2b8q h GLU 47 N 0.28 1.19 -0.11 2.37 5.08 -0.60 -1.96 114.58 120.83 2b8q h GLU 47 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2b8q h GLU 47 Cb 0.22 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2b8q h GLU 47 CO -0.00 0.79 0.03 1.96 -1.00 0.00 0.00 179.01 180.79 2b8q h GLN 48 N 1.23 0.17 -0.88 2.33 4.20 -0.74 -0.24 115.11 121.18 2b8q h GLN 48 Ca 0.33 -0.04 0.21 0.00 0.06 0.00 0.00 58.65 59.21 2b8q h GLN 48 Cb -0.14 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 27.49 2b8q h GLN 48 CO -0.07 0.33 0.40 1.25 -0.67 0.00 0.00 178.83 180.07 2b8q h HIS 49 N -0.02 0.67 -0.60 2.96 2.76 -0.36 0.85 115.15 121.41 2b8q h HIS 49 Ca 0.03 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2b8q h HIS 49 Cb 0.23 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2b8q h HIS 49 CO 0.00 -0.01 0.00 0.66 -1.30 0.00 0.00 177.93 177.28 2b8q n TYR 50 N -5.02 1.64 -0.58 5.26 4.02 -0.79 -4.66 117.16 117.03 2b8q n TYR 50 Ca 0.21 -0.66 0.46 0.00 -0.01 0.00 0.00 57.90 57.90 2b8q n TYR 50 Cb 0.61 -0.33 0.74 0.00 -0.02 0.00 0.00 39.34 40.34 2b8q n TYR 50 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2b8q n LYS 51 N 0.85 -0.02 0.00 -0.72 2.85 0.29 0.21 118.16 121.62 2b8q n LYS 51 Ca 0.26 1.18 0.09 0.00 -1.05 0.00 0.00 58.31 58.79 2b8q n LYS 51 Cb 0.99 -2.49 0.53 0.00 -0.65 0.00 0.00 35.03 33.41 2b8q n LYS 51 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2b8q n GLU 52 N -4.37 0.64 -0.00 -1.58 4.07 -1.26 -2.52 120.64 115.62 2b8q n GLU 52 Ca 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 2b8q n GLU 52 Cb 1.77 -1.44 -0.01 0.00 -0.06 0.00 0.00 31.44 31.71 2b8q n GLU 52 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2b8q n HIS 53 N -0.94 0.00 0.09 4.31 8.25 0.56 -4.79 115.22 122.69 2b8q n HIS 53 Ca 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.68 2b8q n HIS 53 Cb 0.06 -0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.29 2b8q n HIS 53 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2b8q n SER 54 N -1.09 0.00 -0.86 0.41 3.41 -1.05 0.11 113.62 114.55 2b8q n SER 54 Ca 0.00 0.45 0.07 0.00 -0.26 0.00 0.00 58.87 59.13 2b8q n SER 54 Cb 0.02 -0.08 0.24 0.00 -0.26 0.00 0.00 64.21 64.13 2b8q n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b8q n GLU 55 N -2.28 2.65 -3.90 4.33 1.02 -1.26 -4.93 120.64 116.26 2b8q n GLU 55 Ca 0.07 -2.86 -0.33 0.00 -0.02 0.00 0.00 57.16 54.02 2b8q n GLU 55 Cb 0.90 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.89 3.44 0.25 3.49 -1.52 0.29 -5.00 119.66 117.73 2b8q s GLN 56 Ca 0.42 -0.35 -0.02 0.00 -1.95 0.00 0.00 55.36 53.46 2b8q s GLN 56 Cb 0.34 -3.08 0.48 0.00 -0.22 0.00 0.00 33.01 30.54 2b8q s GLN 56 CO 0.07 0.66 1.77 0.66 -0.25 0.00 0.00 175.29 178.20 2b8q h SER 57 N 3.62 0.51 0.15 5.90 4.64 -1.94 -0.79 113.55 125.65 2b8q h SER 57 Ca -0.48 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2b8q h SER 57 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2b8q h SER 57 CO 0.71 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 2b8q n TYR 58 N -4.87 0.00 -0.06 4.77 0.18 -1.26 -4.24 117.16 111.68 2b8q n TYR 58 Ca 0.16 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.86 2b8q n TYR 58 Cb 0.39 -0.09 -0.01 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 0.00 -0.41 -0.53 -3.48 3.04 -1.39 -0.47 116.94 113.70 2b8q h PHE 59 Ca 0.00 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.86 2b8q h PHE 59 Cb 0.08 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 2b8q h PHE 59 CO 0.00 -0.24 -0.14 -0.91 -2.02 0.00 0.00 178.31 175.00 2b8q h ASN 60 N -0.14 1.04 -0.43 0.41 2.35 -1.80 -2.48 115.58 114.53 2b8q h ASN 60 Ca 0.15 -0.36 -0.10 0.00 -0.55 0.00 0.00 56.30 55.44 2b8q h ASN 60 Cb 0.36 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2b8q h ASN 60 CO -0.36 1.16 -0.11 0.44 -1.65 0.00 0.00 177.43 176.91 2b8q h ASP 61 N 0.90 0.84 -0.65 5.81 3.32 -1.78 -0.82 116.42 124.05 2b8q h ASP 61 Ca 0.13 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 2b8q h ASP 61 Cb 0.72 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2b8q h ASP 61 CO 0.06 1.01 0.39 -1.13 -1.72 0.00 0.00 179.24 177.85 2b8q h ASN 62 N 0.66 0.77 -0.46 6.45 -0.00 -1.07 0.32 115.58 122.25 2b8q h ASN 62 Ca 0.11 -0.06 -0.01 0.00 -0.00 0.00 0.00 56.30 56.34 2b8q h ASN 62 Cb 0.65 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.76 2b8q h ASN 62 CO 0.04 0.60 0.23 0.00 -0.00 0.00 0.00 177.43 178.31 2b8q h ASP 64 N 0.61 1.06 0.02 0.00 3.32 -0.55 -1.64 116.42 119.23 2b8q h ASP 64 Ca 0.16 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2b8q h ASP 64 Cb 0.10 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2b8q h ASP 64 CO -0.02 0.71 -0.01 0.15 -1.72 0.00 0.00 179.24 178.35 2b8q h PHE 65 N 1.22 -0.02 0.00 4.55 3.04 -0.29 -1.95 116.94 123.49 2b8q h PHE 65 Ca 0.40 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.35 2b8q h PHE 65 Cb 0.04 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.56 2b8q h PHE 65 CO -0.00 0.26 0.00 -1.33 -2.02 0.00 0.00 178.31 175.22 2b8q n MET 66 N -4.97 0.00 0.00 1.11 2.81 0.61 -0.34 117.12 116.34 2b8q n MET 66 Ca -0.08 0.50 0.04 0.00 -1.81 0.00 0.00 57.70 56.35 2b8q n MET 66 Cb 0.16 -1.51 0.03 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.51 0.00 0.92 2.03 0.31 -0.67 -4.61 118.33 114.80 2b8q n VAL 67 Ca 0.00 -0.48 0.13 0.00 -0.01 0.00 0.00 64.34 63.98 2b8q n VAL 67 Cb 0.00 1.15 0.57 0.00 -0.91 0.00 0.00 33.84 34.65 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 0.26 0.00 -2.82 4.52 3.41 0.53 -4.78 113.62 114.75 2b8q n SER 68 Ca 0.04 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 2b8q n SER 68 Cb 0.20 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2b8q n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2b8q s GLY 69 N -2.98 0.45 1.11 5.00 0.00 -1.26 -5.08 107.32 104.57 2b8q s GLY 69 Ca 0.13 -0.82 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 2b8q s GLY 69 CO 0.47 -0.35 1.05 -4.14 0.00 0.00 0.00 173.10 170.13 2b8q s PRO 70 N -2.13 -0.51 0.08 2.90 0.02 -1.22 -4.59 135.00 129.55 2b8q s PRO 70 Ca 0.16 0.85 -0.17 0.00 0.02 0.00 0.00 61.00 61.86 2b8q s PRO 70 Cb -0.05 -1.60 0.04 0.00 0.02 0.00 0.00 34.50 32.91 2b8q s PRO 70 CO 0.12 -3.46 0.41 0.96 -0.33 0.00 0.00 177.00 174.70 2b8q s ILE 71 N -2.57 0.06 -0.07 2.83 -4.36 -0.77 -3.00 121.20 113.31 2b8q s ILE 71 Ca 0.68 -0.51 0.03 0.00 -0.26 0.00 0.00 60.65 60.59 2b8q s ILE 71 Cb -0.24 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.44 2b8q s ILE 71 CO 0.63 -0.28 -0.18 -0.63 0.24 0.00 0.00 174.94 174.72 2b8q s ILE 72 N -3.02 1.55 -0.23 8.37 1.01 -0.97 -1.58 121.20 126.33 2b8q s ILE 72 Ca -0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 2b8q s ILE 72 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2b8q s ILE 72 CO -0.06 0.45 0.12 -0.94 0.00 0.00 0.00 174.94 174.50 2b8q s SER 73 N 0.41 5.77 -0.01 3.58 1.04 0.66 -1.45 113.70 123.69 2b8q s SER 73 Ca -0.14 0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.35 2b8q s SER 73 Cb -0.16 -2.03 -0.00 0.00 0.10 0.00 0.00 66.02 63.93 2b8q s SER 73 CO 0.05 0.06 -0.10 -0.63 0.98 0.00 0.00 173.24 173.61 2b8q s ILE 74 N 1.04 0.78 -0.21 -1.02 1.01 -0.10 -0.24 121.20 122.47 2b8q s ILE 74 Ca 0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2b8q s ILE 74 Cb -0.14 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 2b8q s ILE 74 CO 0.04 0.23 -0.02 -0.69 0.00 0.00 0.00 174.94 174.50 2b8q s VAL 75 N -0.12 3.67 -0.05 2.92 1.01 0.46 -0.50 120.40 127.79 2b8q s VAL 75 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2b8q s VAL 75 Cb -0.05 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2b8q s VAL 75 CO -0.00 0.42 -0.06 -0.31 0.00 0.00 0.00 175.10 175.14 2b8q s TYR 76 N 1.27 2.93 -0.06 5.22 1.51 -0.21 -0.36 117.35 127.64 2b8q s TYR 76 Ca 0.03 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.16 2b8q s TYR 76 Cb -0.14 -1.68 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 2b8q s TYR 76 CO -0.00 0.35 -0.22 -2.00 -1.11 0.00 0.00 175.55 172.58 2b8q s GLU 77 N -1.01 2.35 0.00 -0.62 2.12 0.77 -1.08 118.70 121.23 2b8q s GLU 77 Ca 0.14 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.69 2b8q s GLU 77 Cb -0.11 -1.95 0.00 0.00 0.26 0.00 0.00 34.13 32.33 2b8q s GLU 77 CO 0.03 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 2b8q n GLY 78 N 3.18 -0.40 3.68 -1.50 0.00 -1.04 -1.18 105.19 107.92 2b8q n GLY 78 Ca -0.18 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 2b8q n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b8q s THR 79 N -2.00 3.49 -1.41 2.61 2.01 -1.26 -1.24 115.64 117.84 2b8q s THR 79 Ca 0.00 0.78 -0.07 0.00 0.31 0.00 0.00 61.69 62.71 2b8q s THR 79 Cb 0.00 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 69.05 2b8q s THR 79 CO 0.00 -0.03 0.56 -0.67 -0.69 0.00 0.00 174.62 173.79 2b8q n ASP 80 N 6.23 -4.90 -0.32 3.53 4.64 -1.26 -4.85 116.55 119.62 2b8q n ASP 80 Ca 0.16 -0.35 0.11 0.00 -1.38 0.00 0.00 54.79 53.33 2b8q n ASP 80 Cb 0.42 -3.99 0.28 0.00 -1.04 0.00 0.00 41.12 36.80 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 0.99 1.48 0.96 -1.67 0.00 -1.79 -0.64 119.26 118.60 2b8q h ALA 81 Ca -0.48 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2b8q h ALA 81 Cb 1.33 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.10 2b8q h ALA 81 CO 0.55 -0.11 -0.49 0.82 0.00 0.00 0.00 179.25 180.03 2b8q h ILE 82 N 0.66 0.00 -0.37 0.00 2.04 -1.89 -0.62 117.51 117.34 2b8q h ILE 82 Ca 0.53 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.37 2b8q h ILE 82 Cb 0.83 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2b8q h ILE 82 CO -0.40 0.00 0.13 -1.28 0.00 0.00 0.00 178.15 176.61 2b8q h SER 83 N -1.32 0.52 -0.61 1.72 0.87 -1.85 -2.35 113.55 110.53 2b8q h SER 83 Ca -0.13 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 2b8q h SER 83 Cb 1.02 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 2b8q h SER 83 CO 0.20 0.56 0.27 0.11 -0.53 0.00 0.00 176.83 177.44 2b8q h LYS 84 N 0.44 0.89 0.00 2.24 1.79 -1.13 -1.68 116.57 119.12 2b8q h LYS 84 Ca 0.12 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2b8q h LYS 84 Cb 0.21 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2b8q h LYS 84 CO -0.01 0.74 -0.40 0.82 -1.08 0.00 0.00 179.45 179.52 2b8q h ILE 85 N 0.84 0.87 -0.30 1.86 2.04 -1.12 -1.73 117.51 119.97 2b8q h ILE 85 Ca 0.21 -1.63 -0.12 0.00 1.00 0.00 0.00 64.86 64.32 2b8q h ILE 85 Cb 0.16 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2b8q h ILE 85 CO -0.02 0.39 -0.27 -0.09 0.00 0.00 0.00 178.15 178.16 2b8q h ARG 86 N 0.00 0.71 -0.37 2.37 1.12 -1.11 -0.65 114.38 116.45 2b8q h ARG 86 Ca -0.00 -0.36 -0.03 0.00 -1.11 0.00 0.00 59.98 58.47 2b8q h ARG 86 Cb 0.97 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.93 2b8q h ARG 86 CO 0.05 0.98 0.12 0.00 -3.11 0.00 0.00 179.97 178.01 2b8q h ARG 87 N 0.46 0.58 -0.88 0.20 3.08 -1.14 -1.10 114.38 115.58 2b8q h ARG 87 Ca 0.05 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.02 2b8q h ARG 87 Cb 0.83 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 2b8q h ARG 87 CO 0.07 0.59 0.56 1.25 -1.07 0.00 0.00 179.97 181.37 2b8q h LEU 88 N 0.45 0.91 -0.71 3.04 5.85 -1.20 -0.83 115.31 122.81 2b8q h LEU 88 Ca 0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2b8q h LEU 88 Cb 0.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2b8q h LEU 88 CO -0.00 0.61 0.38 -0.61 -0.34 0.00 0.00 178.44 178.47 2b8q h GLN 89 N 1.06 1.00 0.00 1.25 4.15 -0.70 -0.34 115.11 121.53 2b8q h GLN 89 Ca 0.37 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2b8q h GLN 89 Cb 0.08 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2b8q h GLN 89 CO -0.14 0.76 0.00 0.41 -1.93 0.00 0.00 178.83 177.93 2b8q n GLY 90 N -1.05 0.92 3.22 2.39 0.00 -0.32 -1.61 105.19 108.73 2b8q n GLY 90 Ca 0.06 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 0.18 0.50 1.61 2.20 -1.26 -4.72 114.94 109.45 2b8q s ASN 91 Ca 0.00 -1.25 0.25 0.00 -0.94 0.00 0.00 52.86 50.92 2b8q s ASN 91 Cb 0.00 0.37 1.37 0.00 -2.00 0.00 0.00 41.25 40.99 2b8q s ASN 91 CO 0.00 -0.82 1.74 0.40 -2.94 0.00 0.00 177.10 175.48 2b8q h ILE 92 N 2.68 0.00 -0.02 0.54 1.08 -1.87 -1.11 117.51 118.81 2b8q h ILE 92 Ca -0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2b8q h ILE 92 Cb 1.23 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2b8q h ILE 92 CO 0.54 0.00 -0.15 0.18 -0.69 0.00 0.00 178.15 178.03 2b8q n LEU 93 N -2.54 2.21 -3.96 1.44 4.77 -1.26 -4.63 117.00 113.03 2b8q n LEU 93 Ca -0.02 -0.75 -0.31 0.00 -0.03 0.00 0.00 56.01 54.91 2b8q n LEU 93 Cb 0.25 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.18 2b8q n LEU 93 CO 0.11 0.38 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.31 2b8q s THR 94 N -2.18 1.94 0.63 -5.08 2.01 -0.52 -5.04 115.64 107.40 2b8q s THR 94 Ca 0.27 -2.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.08 2b8q s THR 94 Cb 0.20 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2b8q s THR 94 CO 0.40 -0.51 1.30 -2.65 -0.69 0.00 0.00 174.62 172.47 2b8q n PRO 95 N 4.42 1.24 0.00 4.92 -0.02 -1.26 -2.68 135.00 141.61 2b8q n PRO 95 Ca -0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2b8q n PRO 95 Cb 0.42 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.90 2.89 3.95 -1.23 0.00 -1.26 -4.94 105.19 105.50 2b8q n GLY 96 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 2.73 0.06 2.61 -4.23 -1.09 -4.95 115.64 108.10 2b8q s THR 97 Ca 0.00 -1.17 -0.25 0.00 -1.18 0.00 0.00 61.69 59.09 2b8q s THR 97 Cb 0.00 -2.89 -0.17 0.00 1.34 0.00 0.00 72.50 70.78 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 0.77 0.96 -0.39 2.99 2.04 -1.10 -0.46 117.51 122.32 2b8q h ILE 98 Ca -0.40 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 2b8q h ILE 98 Cb 1.28 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2b8q h ILE 98 CO 0.50 0.06 -0.28 0.03 0.00 0.00 0.00 178.15 178.47 2b8q h ARG 99 N -0.27 0.82 -0.21 2.37 3.08 -1.54 -0.51 114.38 118.12 2b8q h ARG 99 Ca -0.02 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 2b8q h ARG 99 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2b8q h ARG 99 CO 0.03 0.99 -0.02 0.78 -1.07 0.00 0.00 179.97 180.68 2b8q h GLY 100 N 0.93 0.33 0.53 0.04 0.00 -1.16 -1.54 103.07 102.19 2b8q h GLY 100 Ca 0.08 -0.17 -0.33 0.00 0.00 0.00 0.00 47.33 46.91 2b8q h GLY 100 CO 0.07 0.16 -2.03 1.22 0.00 0.00 0.00 176.54 175.96 2b8q n ASP 101 N -4.35 0.60 -0.00 0.19 8.00 -0.19 -4.36 116.55 116.44 2b8q n ASP 101 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2b8q n ASP 101 Cb 0.20 0.33 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.95 0.09 -4.50 0.64 4.77 -0.21 -5.06 117.00 109.78 2b8q n LEU 102 Ca -0.25 -0.52 -0.25 0.00 -0.03 0.00 0.00 56.01 54.95 2b8q n LEU 102 Cb 1.09 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.09 2b8q n LEU 102 CO 0.43 0.02 -0.46 0.00 -1.33 0.00 0.00 177.39 176.06 2b8q s ALA 103 N -1.04 2.78 -0.36 -1.18 0.00 -0.58 -5.02 121.76 116.36 2b8q s ALA 103 Ca 0.00 -1.72 0.13 0.00 0.00 0.00 0.00 51.96 50.38 2b8q s ALA 103 Cb 0.01 -0.43 0.42 0.00 0.00 0.00 0.00 23.12 23.12 2b8q s ALA 103 CO 0.04 0.35 1.25 -1.71 0.00 0.00 0.00 175.76 175.69 2b8q n ASN 104 N -0.31 -0.66 -3.49 0.00 5.15 -1.26 -4.72 115.26 109.96 2b8q n ASN 104 Ca -0.08 -2.47 -0.12 0.00 -0.60 0.00 0.00 54.58 51.31 2b8q n ASN 104 Cb 0.58 0.43 -0.03 0.00 -0.53 0.00 0.00 39.78 40.23 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 -1.92 -0.49 0.10 1.20 -1.08 -1.26 -5.05 116.67 108.16 2b8q s ASP 105 Ca 0.22 -0.01 0.24 0.00 -0.52 0.00 0.00 52.55 52.49 2b8q s ASP 105 Cb 0.42 0.56 0.38 0.00 -1.46 0.00 0.00 42.92 42.81 2b8q s ASP 105 CO -0.06 -0.90 1.33 2.30 0.52 0.00 0.00 175.17 178.37 2b8q n ILE 106 N -0.19 0.29 -0.07 4.11 -0.00 -1.26 -4.44 119.36 117.80 2b8q n ILE 106 Ca -0.17 -0.23 -0.14 0.00 -0.00 0.00 0.00 62.75 62.21 2b8q n ILE 106 Cb 0.64 -0.07 -0.05 0.00 -0.00 0.00 0.00 39.64 40.17 2b8q n ILE 106 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 2b8q n ARG 107 N -2.00 0.34 -2.79 6.28 0.63 -1.26 -4.82 116.66 113.03 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 0.42 -1.07 -0.01 0.00 0.45 0.00 0.00 32.46 32.25 2b8q n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2b8q s GLU 108 N -2.37 3.88 -0.29 -0.14 2.02 -1.26 -4.78 118.70 115.77 2b8q s GLU 108 Ca -0.21 -2.04 0.08 0.00 0.02 0.00 0.00 54.97 52.81 2b8q s GLU 108 Cb 0.07 -5.20 0.45 0.00 0.10 0.00 0.00 34.13 29.56 2b8q s GLU 108 CO 0.28 -1.96 1.22 0.27 0.02 0.00 0.00 175.26 175.09 2b8q n ASN 109 N 7.02 4.37 0.00 -0.19 0.23 -1.26 -4.33 115.26 121.10 2b8q n ASN 109 Ca 0.37 -3.78 0.00 0.00 -0.53 0.00 0.00 54.58 50.63 2b8q n ASN 109 Cb 0.46 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 -0.80 0.00 -3.81 -4.53 4.77 -1.26 -4.76 117.00 106.61 2b8q n LEU 110 Ca 0.40 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2b8q n LEU 110 Cb 0.91 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.91 2b8q n LEU 110 CO 0.33 0.00 -0.05 -0.51 -1.33 0.00 0.00 177.39 175.82 2b8q s ILE 111 N 0.00 0.08 -0.01 -0.08 2.07 -1.26 -1.58 121.20 120.42 2b8q s ILE 111 Ca 0.00 -0.64 0.06 0.00 -1.41 0.00 0.00 60.65 58.66 2b8q s ILE 111 Cb 0.00 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 2b8q s ILE 111 CO 0.00 -0.35 -0.21 -2.28 -1.91 0.00 0.00 174.94 170.19 2b8q s HIS 112 N -1.72 1.85 -0.02 3.50 5.65 -0.46 -4.98 115.29 119.12 2b8q s HIS 112 Ca -0.11 -0.35 -0.00 0.00 0.25 0.00 0.00 55.06 54.84 2b8q s HIS 112 Cb -0.05 -1.19 0.02 0.00 -1.18 0.00 0.00 32.58 30.19 2b8q s HIS 112 CO 0.01 -0.02 0.03 0.00 -0.65 0.00 0.00 174.74 174.11 2b8q s ALA 113 N -0.50 0.04 0.30 1.58 0.00 -1.26 -1.53 121.76 120.38 2b8q s ALA 113 Ca 0.08 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 2b8q s ALA 113 Cb -0.08 -0.19 -0.14 0.00 0.00 0.00 0.00 23.12 22.72 2b8q s ALA 113 CO -0.01 -0.08 1.10 0.43 0.00 0.00 0.00 175.76 177.21 2b8q n SER 114 N 3.87 1.74 -1.03 0.00 7.64 -0.96 -4.92 113.62 119.95 2b8q n SER 114 Ca -0.23 1.18 0.10 0.00 1.01 0.00 0.00 58.87 60.93 2b8q n SER 114 Cb 0.53 -1.34 0.20 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.18 3.28 -3.72 6.43 5.75 -1.26 -4.75 116.55 123.46 2b8q n ASP 115 Ca 0.09 -1.94 -0.03 0.00 -0.01 0.00 0.00 54.79 52.90 2b8q n ASP 115 Cb 0.33 -0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.16 2b8q n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2b8q s SER 116 N -1.33 -0.17 0.35 -1.12 1.04 -1.26 -5.00 113.70 106.22 2b8q s SER 116 Ca 0.35 -0.35 0.08 0.00 0.48 0.00 0.00 55.95 56.51 2b8q s SER 116 Cb 0.20 0.44 0.66 0.00 0.10 0.00 0.00 66.02 67.42 2b8q s SER 116 CO 0.28 -0.81 1.84 -0.33 0.98 0.00 0.00 173.24 175.20 2b8q h GLU 117 N 2.00 0.27 0.38 4.02 5.08 -1.97 -0.72 114.58 123.64 2b8q h GLU 117 Ca -0.25 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2b8q h GLU 117 Cb 1.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2b8q h GLU 117 CO 0.26 0.47 -0.18 -0.44 -1.00 0.00 0.00 179.01 178.12 2b8q h ASP 118 N 0.25 -0.43 -0.48 1.42 3.32 -1.99 -2.60 116.42 115.90 2b8q h ASP 118 Ca 0.04 -0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.06 2b8q h ASP 118 Cb 0.51 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.08 2b8q h ASP 118 CO 0.03 -0.03 -0.15 0.28 -1.72 0.00 0.00 179.24 177.65 2b8q h SER 119 N -0.92 -0.55 -0.04 6.45 0.02 -1.91 0.16 113.55 116.75 2b8q h SER 119 Ca -0.05 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2b8q h SER 119 Cb 0.54 0.34 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 2b8q h SER 119 CO 0.09 -0.19 -0.29 0.00 -1.14 0.00 0.00 176.83 175.29 2b8q h ALA 120 N 1.39 -0.38 -0.52 3.77 0.00 -1.18 0.85 119.26 123.19 2b8q h ALA 120 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2b8q h ALA 120 Cb 0.40 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2b8q h ALA 120 CO -0.52 -0.79 0.29 0.28 0.00 0.00 0.00 179.25 178.52 2b8q h VAL 121 N -0.41 1.02 0.52 0.00 2.07 -0.96 0.18 116.25 118.67 2b8q h VAL 121 Ca 0.07 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2b8q h VAL 121 Cb 0.52 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2b8q h VAL 121 CO -0.28 0.11 -0.32 -0.78 0.02 0.00 0.00 177.57 176.32 2b8q h ASP 122 N 0.58 -0.80 -0.64 0.57 1.82 0.05 -2.41 116.42 115.59 2b8q h ASP 122 Ca 0.22 0.04 0.05 0.00 -0.39 0.00 0.00 57.03 56.95 2b8q h ASP 122 Cb 0.06 0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 2b8q h ASP 122 CO -0.12 -0.49 0.42 -0.33 -1.61 0.00 0.00 179.24 177.12 2b8q h GLU 123 N -0.79 0.68 -0.34 0.28 5.08 0.81 -1.70 114.58 118.60 2b8q h GLU 123 Ca -0.07 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 2b8q h GLU 123 Cb 0.63 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2b8q h GLU 123 CO 0.07 0.45 -0.24 0.82 -1.00 0.00 0.00 179.01 179.11 2b8q h ILE 124 N 0.70 1.27 0.22 3.13 2.04 -0.64 -2.62 117.51 121.60 2b8q h ILE 124 Ca 0.27 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2b8q h ILE 124 Cb 0.18 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2b8q h ILE 124 CO -0.08 0.43 -0.12 0.28 0.00 0.00 0.00 178.15 178.66 2b8q h SER 125 N 0.58 -0.30 -0.34 1.72 0.02 -0.80 0.38 113.55 114.82 2b8q h SER 125 Ca 0.08 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 2b8q h SER 125 Cb 0.72 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 2b8q h SER 125 CO 0.06 -0.20 -0.17 0.40 -1.14 0.00 0.00 176.83 175.77 2b8q h ILE 126 N -0.32 0.49 0.00 3.27 2.04 -1.31 -1.78 117.51 119.90 2b8q h ILE 126 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2b8q h ILE 126 Cb 0.26 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2b8q h ILE 126 CO 0.03 0.00 -0.71 -0.50 0.00 0.00 0.00 178.15 176.97 2b8q h TRP 127 N -0.12 0.00 -2.06 1.37 4.06 -1.39 -3.40 115.95 114.42 2b8q h TRP 127 Ca 0.17 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.61 2b8q h TRP 127 Cb 0.38 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.14 2b8q h TRP 127 CO -0.38 0.12 -1.06 1.19 -3.56 0.00 0.00 178.44 174.74 2b8q n PHE 128 N -2.88 0.97 -0.26 0.49 3.72 0.13 -5.00 117.46 114.64 2b8q n PHE 128 Ca 0.00 -3.84 0.04 0.00 -0.05 0.00 0.00 57.45 53.60 2b8q n PHE 128 Cb 0.60 -0.43 0.10 0.00 -0.94 0.00 0.00 39.48 38.81 2b8q n PHE 128 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2b8q n PRO 129 N 0.31 -0.07 0.00 -1.08 -0.02 -0.68 -4.65 135.00 128.81 2b8q n PRO 129 Ca 0.26 1.14 0.01 0.00 -2.02 0.00 0.00 63.50 62.88 2b8q n PRO 129 Cb 0.59 -1.70 0.05 0.00 -0.02 0.00 0.00 33.50 32.42 2b8q n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87