#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6b s LEU 1 N 0.00 4.37 0.22 0.99 0.20 -1.26 -0.75 118.68 122.44 3b6b s LEU 1 Ca 0.00 2.72 0.02 0.00 0.69 0.00 0.00 54.13 57.56 3b6b s LEU 1 Cb 0.00 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 42.11 3b6b s LEU 1 CO 0.00 -0.87 0.05 -1.10 -0.29 0.00 0.00 176.35 174.13 3b6b s GLN 2 N 0.99 1.28 -0.02 1.98 -0.21 -0.55 -4.85 119.66 118.28 3b6b s GLN 2 Ca 0.71 -1.66 0.06 0.00 0.02 0.00 0.00 55.36 54.49 3b6b s GLN 2 Cb -0.46 -0.31 -0.01 0.00 1.00 0.00 0.00 33.01 33.23 3b6b s GLN 2 CO 0.33 -0.20 -0.21 1.03 -2.12 0.00 0.00 175.29 174.12 3b6b s ARG 3 N -3.96 1.79 0.09 2.91 0.52 -1.26 -2.37 118.95 116.67 3b6b s ARG 3 Ca 0.31 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 3b6b s ARG 3 Cb 0.07 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 3b6b s ARG 3 CO 0.09 0.43 -0.07 -0.08 0.02 0.00 0.00 175.30 175.69 3b6b s THR 4 N -0.41 0.71 -0.18 0.02 -1.32 -0.47 -4.76 115.64 109.22 3b6b s THR 4 Ca 0.06 -1.81 -0.06 0.00 -1.21 0.00 0.00 61.69 58.67 3b6b s THR 4 Cb -0.09 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 3b6b s THR 4 CO -0.00 -0.79 0.01 -0.22 -2.21 0.00 0.00 174.62 171.42 3b6b s LEU 5 N -2.82 3.48 -0.08 9.08 2.96 -1.26 -1.40 118.68 128.64 3b6b s LEU 5 Ca 0.09 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3b6b s LEU 5 Cb 0.03 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3b6b s LEU 5 CO -0.04 0.14 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.23 3b6b s VAL 6 N 0.58 2.38 -0.15 1.68 1.01 -0.06 -1.80 120.40 124.04 3b6b s VAL 6 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3b6b s VAL 6 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3b6b s VAL 6 CO 0.02 0.56 -0.05 -0.76 0.00 0.00 0.00 175.10 174.87 3b6b s LEU 7 N -0.06 3.16 -0.28 3.92 1.43 -0.15 -0.58 118.68 126.12 3b6b s LEU 7 Ca -0.06 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 3b6b s LEU 7 Cb -0.14 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3b6b s LEU 7 CO 0.05 0.17 0.41 -0.63 0.23 0.00 0.00 176.35 176.57 3b6b s ILE 8 N 0.36 5.14 0.64 -0.59 -1.09 0.00 -1.03 121.20 124.64 3b6b s ILE 8 Ca -0.05 0.54 -0.06 0.00 -2.23 0.00 0.00 60.65 58.85 3b6b s ILE 8 Cb -0.14 -3.76 0.04 0.00 -1.58 0.00 0.00 42.46 37.02 3b6b s ILE 8 CO 0.03 0.08 0.95 -0.54 -1.23 0.00 0.00 174.94 174.24 3b6b s LYS 9 N 2.13 2.54 0.53 2.79 1.02 -0.06 -2.47 119.74 126.22 3b6b s LYS 9 Ca 0.16 -0.18 0.20 0.00 0.02 0.00 0.00 55.97 56.17 3b6b s LYS 9 Cb -0.16 -2.24 1.41 0.00 -0.52 0.00 0.00 37.83 36.32 3b6b s LYS 9 CO 0.10 -0.96 2.16 -1.35 -0.92 0.00 0.00 175.35 174.38 3b6b h PRO 10 N -0.37 0.00 0.00 -1.68 0.11 -1.83 -1.99 132.00 126.24 3b6b h PRO 10 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3b6b h PRO 10 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3b6b h PRO 10 CO 0.60 0.03 -0.31 0.38 -0.21 0.00 0.00 178.00 178.48 3b6b h ASP 11 N 0.00 0.00 -0.68 -2.05 2.03 -1.91 -1.51 116.42 112.30 3b6b h ASP 11 Ca -0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 3b6b h ASP 11 Cb 0.05 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.52 3b6b h ASP 11 CO 0.00 0.31 0.18 0.00 -1.03 0.00 0.00 179.24 178.70 3b6b h ALA 12 N 1.69 0.90 -0.34 4.15 0.00 -1.61 -0.75 119.26 123.30 3b6b h ALA 12 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3b6b h ALA 12 Cb 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3b6b h ALA 12 CO 0.04 0.61 0.06 0.74 0.00 0.00 0.00 179.25 180.71 3b6b h PHE 13 N 1.02 0.59 -0.85 0.00 -1.00 -1.47 0.11 116.94 115.35 3b6b h PHE 13 Ca 0.22 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.94 3b6b h PHE 13 Cb 0.36 -0.16 -0.05 0.00 3.61 0.00 0.00 35.95 39.71 3b6b h PHE 13 CO 0.03 0.62 0.56 1.49 -1.61 0.00 0.00 178.31 179.39 3b6b h GLU 14 N 0.40 1.08 -0.40 1.51 4.81 -1.19 -2.90 114.58 117.89 3b6b h GLU 14 Ca 0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3b6b h GLU 14 Cb 0.34 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3b6b h GLU 14 CO 0.01 0.72 0.00 0.54 -0.73 0.00 0.00 179.01 179.54 3b6b n ARG 15 N -4.52 2.25 -3.69 1.92 1.74 -0.30 -4.96 116.66 109.11 3b6b n ARG 15 Ca 0.10 -1.90 -0.24 0.00 -0.77 0.00 0.00 57.85 55.04 3b6b n ARG 15 Cb 0.05 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.08 3b6b n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3b6b n SER 16 N 1.09 -3.42 -0.42 0.55 7.64 -0.62 -4.93 113.62 113.51 3b6b n SER 16 Ca 0.18 -0.71 0.04 0.00 1.01 0.00 0.00 58.87 59.39 3b6b n SER 16 Cb 0.49 -4.41 0.10 0.00 -1.01 0.00 0.00 64.21 59.38 3b6b n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3b6b n LEU 17 N -4.52 2.52 0.19 -3.43 4.77 0.28 -4.75 117.00 112.06 3b6b n LEU 17 Ca -0.14 -1.88 -0.14 0.00 -0.03 0.00 0.00 56.01 53.82 3b6b n LEU 17 Cb 0.61 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3b6b n LEU 17 CO 0.68 0.62 0.67 0.58 -1.33 0.00 0.00 177.39 178.61 3b6b h VAL 18 N 1.41 0.39 -0.65 4.08 2.07 -1.91 -0.65 116.25 120.98 3b6b h VAL 18 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3b6b h VAL 18 Cb 0.62 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3b6b h VAL 18 CO 0.00 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.65 3b6b h ALA 19 N -0.01 0.88 -0.57 1.67 0.00 -1.94 -0.69 119.26 118.60 3b6b h ALA 19 Ca -0.01 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.70 3b6b h ALA 19 Cb 0.56 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3b6b h ALA 19 CO -0.07 0.67 0.20 1.49 0.00 0.00 0.00 179.25 181.54 3b6b h GLU 20 N 1.02 0.36 0.04 0.00 4.57 -1.83 0.33 114.58 119.08 3b6b h GLU 20 Ca 0.19 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3b6b h GLU 20 Cb 0.50 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3b6b h GLU 20 CO 0.02 0.24 -0.02 0.82 -1.18 0.00 0.00 179.01 178.89 3b6b h ILE 21 N 0.37 1.27 -0.27 2.32 2.04 -0.79 -2.55 117.51 119.90 3b6b h ILE 21 Ca 0.28 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3b6b h ILE 21 Cb 0.34 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3b6b h ILE 21 CO -0.30 0.26 0.15 0.24 0.00 0.00 0.00 178.15 178.50 3b6b h MET 22 N -0.51 0.36 -0.60 2.37 2.86 -1.01 -2.46 114.93 115.95 3b6b h MET 22 Ca -0.01 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3b6b h MET 22 Cb 0.46 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3b6b h MET 22 CO 0.01 0.26 0.21 0.78 1.06 0.00 0.00 176.91 179.23 3b6b h GLY 23 N 0.42 0.98 1.54 8.32 0.00 -0.17 -0.19 103.07 113.97 3b6b h GLY 23 Ca 0.10 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3b6b h GLY 23 CO -0.02 0.53 -0.04 3.21 0.00 0.00 0.00 176.54 180.22 3b6b h ARG 24 N 0.84 0.57 -0.08 4.80 3.08 -1.02 0.15 114.38 122.72 3b6b h ARG 24 Ca 0.20 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3b6b h ARG 24 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3b6b h ARG 24 CO -0.01 0.63 -0.35 0.82 -1.07 0.00 0.00 179.97 179.99 3b6b h ILE 25 N 0.54 1.41 -0.96 2.04 2.04 -1.40 -3.01 117.51 118.18 3b6b h ILE 25 Ca 0.11 -1.74 0.02 0.00 1.00 0.00 0.00 64.86 64.25 3b6b h ILE 25 Cb 0.41 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 3b6b h ILE 25 CO 0.02 0.50 0.63 -0.08 0.00 0.00 0.00 178.15 179.23 3b6b h GLU 26 N -0.10 1.23 0.00 2.37 4.81 -0.76 -1.92 114.58 120.21 3b6b h GLU 26 Ca -0.02 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3b6b h GLU 26 Cb 1.00 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3b6b h GLU 26 CO 0.07 0.82 -0.04 0.87 -0.73 0.00 0.00 179.01 179.99 3b6b h LYS 27 N 1.27 0.00 -0.43 1.92 1.57 -0.73 -1.68 116.57 118.50 3b6b h LYS 27 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3b6b h LYS 27 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3b6b h LYS 27 CO -0.09 0.04 0.00 1.17 -0.57 0.00 0.00 179.45 180.01 3b6b n LYS 28 N -3.18 2.00 -1.76 3.15 4.81 -0.73 -4.91 118.16 117.54 3b6b n LYS 28 Ca -0.00 -1.33 -0.06 0.00 -0.87 0.00 0.00 58.31 56.05 3b6b n LYS 28 Cb 0.30 -1.37 -0.01 0.00 0.02 0.00 0.00 35.03 33.96 3b6b n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3b6b n ASN 29 N 0.51 -2.97 -4.83 3.14 4.05 -0.63 -5.03 115.26 109.50 3b6b n ASN 29 Ca 0.12 0.06 -0.37 0.00 0.45 0.00 0.00 54.58 54.84 3b6b n ASN 29 Cb 0.37 -1.82 -0.06 0.00 1.23 0.00 0.00 39.78 39.50 3b6b n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3b6b s PHE 30 N -2.28 3.70 0.01 1.20 0.40 -1.16 -4.89 117.98 114.96 3b6b s PHE 30 Ca 0.00 1.12 0.04 0.00 -0.60 0.00 0.00 56.93 57.49 3b6b s PHE 30 Cb 0.00 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 3b6b s PHE 30 CO 0.00 0.53 -0.10 0.15 0.70 0.00 0.00 175.22 176.50 3b6b s LYS 31 N -1.51 2.43 -0.15 0.44 -0.14 -0.48 -4.40 119.74 115.93 3b6b s LYS 31 Ca 0.32 -0.78 -0.29 0.00 -1.36 0.00 0.00 55.97 53.85 3b6b s LYS 31 Cb -0.17 -2.42 -0.01 0.00 -1.68 0.00 0.00 37.83 33.55 3b6b s LYS 31 CO 0.18 0.59 1.12 0.42 -0.76 0.00 0.00 175.35 176.90 3b6b s ILE 32 N -0.96 4.52 -0.09 2.17 1.01 -1.26 -0.30 121.20 126.28 3b6b s ILE 32 Ca 0.16 1.82 0.14 0.00 0.00 0.00 0.00 60.65 62.77 3b6b s ILE 32 Cb -0.11 -4.17 -0.20 0.00 0.01 0.00 0.00 42.46 37.99 3b6b s ILE 32 CO 0.07 -0.09 0.17 1.33 0.00 0.00 0.00 174.94 176.41 3b6b n VAL 33 N 5.02 0.57 -3.73 2.92 0.24 -0.14 -4.94 118.33 118.26 3b6b n VAL 33 Ca 0.12 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.78 3b6b n VAL 33 Cb 0.46 -0.30 -0.09 0.00 -1.47 0.00 0.00 33.84 32.44 3b6b n VAL 33 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3b6b s SER 34 N -4.34 -0.34 -0.20 -1.34 0.01 -1.18 -4.98 113.70 101.33 3b6b s SER 34 Ca -0.06 0.52 -0.15 0.00 1.31 0.00 0.00 55.95 57.56 3b6b s SER 34 Cb 0.07 0.60 0.06 0.00 0.21 0.00 0.00 66.02 66.95 3b6b s SER 34 CO 0.61 -0.29 0.51 -0.32 0.41 0.00 0.00 173.24 174.16 3b6b s MET 35 N -0.47 0.56 -0.00 12.44 0.00 -1.26 0.52 119.30 131.09 3b6b s MET 35 Ca -0.06 0.81 0.03 0.00 0.00 0.00 0.00 55.69 56.47 3b6b s MET 35 Cb -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 34.83 34.97 3b6b s MET 35 CO 0.03 -0.11 -0.09 0.15 0.00 0.00 0.00 175.02 175.00 3b6b s LYS 36 N 0.76 0.76 -0.18 4.11 1.02 -0.30 -5.00 119.74 120.90 3b6b s LYS 36 Ca -0.04 -0.36 -0.08 0.00 0.02 0.00 0.00 55.97 55.51 3b6b s LYS 36 Cb -0.05 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 3b6b s LYS 36 CO -0.06 0.20 0.07 0.12 -0.92 0.00 0.00 175.35 174.76 3b6b s PHE 37 N -0.28 3.28 -0.24 3.18 5.36 -1.26 -0.99 117.98 127.03 3b6b s PHE 37 Ca 0.03 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 3b6b s PHE 37 Cb -0.04 -2.09 0.05 0.00 -0.34 0.00 0.00 43.02 40.60 3b6b s PHE 37 CO -0.00 0.18 -0.12 -1.58 -1.46 0.00 0.00 175.22 172.23 3b6b s TRP 38 N 0.35 3.12 0.29 10.12 0.52 0.37 -4.98 118.94 128.73 3b6b s TRP 38 Ca 0.04 -2.05 0.02 0.00 0.02 0.00 0.00 56.10 54.13 3b6b s TRP 38 Cb -0.12 -1.95 0.60 0.00 -1.15 0.00 0.00 33.47 30.85 3b6b s TRP 38 CO -0.00 -0.84 1.84 0.66 0.02 0.00 0.00 176.95 178.63 3b6b h SER 39 N 7.85 0.89 -2.19 2.95 4.64 -1.91 0.13 113.55 125.91 3b6b h SER 39 Ca -0.28 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 60.96 3b6b h SER 39 Cb 1.07 -0.13 -0.29 0.00 -0.31 0.00 0.00 62.40 62.74 3b6b h SER 39 CO 0.52 0.47 -0.44 -0.75 -0.87 0.00 0.00 176.83 175.76 3b6b s LYS 40 N -5.91 0.33 0.27 4.77 2.20 -1.26 -2.79 119.74 117.34 3b6b s LYS 40 Ca -0.12 0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 55.95 3b6b s LYS 40 Cb 0.22 -0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.32 3b6b s LYS 40 CO 0.81 -0.47 1.32 0.00 -0.36 0.00 0.00 175.35 176.65 3b6b s ALA 41 N 2.57 3.53 0.15 3.13 0.00 -1.26 -4.93 121.76 124.94 3b6b s ALA 41 Ca 0.06 1.21 -0.34 0.00 0.00 0.00 0.00 51.96 52.89 3b6b s ALA 41 Cb -0.14 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.35 3b6b s ALA 41 CO -0.14 -0.60 1.53 -2.30 0.00 0.00 0.00 175.76 174.25 3b6b n PRO 42 N 1.67 1.97 -0.08 0.00 -0.02 -1.26 -4.85 135.00 132.44 3b6b n PRO 42 Ca 0.03 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 3b6b n PRO 42 Cb 0.42 -2.45 0.42 0.00 -0.02 0.00 0.00 33.50 31.86 3b6b n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3b6b h ARG 43 N 5.65 0.58 -0.54 -0.52 2.43 -1.98 -2.43 114.38 117.56 3b6b h ARG 43 Ca -0.45 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.76 3b6b h ARG 43 Cb 1.27 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 3b6b h ARG 43 CO 0.87 0.38 0.20 -0.97 -1.51 0.00 0.00 179.97 178.94 3b6b h ASN 44 N 0.59 0.22 -0.73 -3.80 -0.00 -1.99 0.17 115.58 110.04 3b6b h ASN 44 Ca 0.23 0.06 0.04 0.00 -0.00 0.00 0.00 56.30 56.63 3b6b h ASN 44 Cb 0.17 0.04 -0.05 0.00 -0.00 0.00 0.00 38.32 38.48 3b6b h ASN 44 CO -0.06 0.15 0.45 -0.07 -0.00 0.00 0.00 177.43 177.90 3b6b h LEU 45 N 0.39 0.74 -0.20 0.34 4.07 -1.82 0.12 115.31 118.94 3b6b h LEU 45 Ca 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 3b6b h LEU 45 Cb 0.28 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 3b6b h LEU 45 CO -0.26 0.50 0.03 0.40 -1.08 0.00 0.00 178.44 178.04 3b6b h ILE 46 N 0.88 1.23 -0.88 1.22 1.08 -1.27 0.17 117.51 119.93 3b6b h ILE 46 Ca 0.30 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 3b6b h ILE 46 Cb 0.05 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 3b6b h ILE 46 CO -0.12 0.23 0.52 -0.33 -0.69 0.00 0.00 178.15 177.76 3b6b h GLU 47 N 0.13 1.20 0.47 2.37 5.08 -0.47 -0.72 114.58 122.65 3b6b h GLU 47 Ca 0.06 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3b6b h GLU 47 Cb 0.32 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3b6b h GLU 47 CO 0.00 0.85 -0.23 1.96 -1.00 0.00 0.00 179.01 180.60 3b6b h GLN 48 N 1.21 -0.61 -0.75 2.33 4.20 -0.65 -1.45 115.11 119.39 3b6b h GLN 48 Ca 0.31 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.23 3b6b h GLN 48 Cb -0.03 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 27.76 3b6b h GLN 48 CO -0.06 -0.37 0.07 1.25 -0.67 0.00 0.00 178.83 179.05 3b6b h HIS 49 N -0.70 0.07 -0.79 2.96 2.76 -0.38 -0.93 115.15 118.14 3b6b h HIS 49 Ca -0.06 0.05 -0.28 0.00 -2.20 0.00 0.00 60.37 57.88 3b6b h HIS 49 Cb 0.52 0.09 -0.16 0.00 1.55 0.00 0.00 27.41 29.40 3b6b h HIS 49 CO -0.03 -0.19 0.35 0.66 -1.30 0.00 0.00 177.93 177.42 3b6b n TYR 50 N -5.28 2.59 -0.27 5.26 4.02 -0.30 -4.72 117.16 118.47 3b6b n TYR 50 Ca 0.14 -1.32 0.19 0.00 -0.01 0.00 0.00 57.90 56.90 3b6b n TYR 50 Cb 0.48 -0.74 0.49 0.00 -0.02 0.00 0.00 39.34 39.54 3b6b n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3b6b h LYS 51 N 2.36 0.44 0.00 -0.72 2.10 -0.03 -0.23 116.57 120.48 3b6b h LYS 51 Ca 0.34 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3b6b h LYS 51 Cb 2.45 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 33.68 3b6b h LYS 51 CO 0.82 0.29 -0.01 0.93 -2.00 0.00 0.00 179.45 179.48 3b6b h GLU 52 N 0.45 0.00 -0.24 0.07 3.07 -1.84 -2.03 114.58 114.06 3b6b h GLU 52 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3b6b h GLU 52 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3b6b h GLU 52 CO -0.21 0.01 0.00 0.72 -1.40 0.00 0.00 179.01 178.13 3b6b n HIS 53 N -3.54 0.30 -0.19 4.33 8.25 -0.10 -4.59 115.22 119.69 3b6b n HIS 53 Ca -0.03 -0.15 0.25 0.00 -0.26 0.00 0.00 57.72 57.53 3b6b n HIS 53 Cb 0.09 0.00 0.66 0.00 1.12 0.00 0.00 29.99 31.86 3b6b n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3b6b h SER 54 N 4.13 0.13 0.09 0.41 4.64 -1.41 0.31 113.55 121.85 3b6b h SER 54 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3b6b h SER 54 Cb 0.90 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3b6b h SER 54 CO 0.00 0.05 -0.36 -0.62 -0.87 0.00 0.00 176.83 175.03 3b6b n GLU 55 N -4.36 1.09 -2.63 4.77 4.71 -1.26 -4.90 120.64 118.06 3b6b n GLU 55 Ca 0.18 -0.80 -0.35 0.00 -0.01 0.00 0.00 57.16 56.18 3b6b n GLU 55 Cb 0.86 -1.48 -0.05 0.00 -1.01 0.00 0.00 31.44 29.76 3b6b n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3b6b s GLN 56 N -2.47 4.05 0.48 3.49 -1.52 0.11 -4.96 119.66 118.85 3b6b s GLN 56 Ca 0.22 1.34 0.22 0.00 -1.95 0.00 0.00 55.36 55.18 3b6b s GLN 56 Cb 0.19 -2.28 1.24 0.00 -0.22 0.00 0.00 33.01 31.94 3b6b s GLN 56 CO 0.54 -0.21 2.03 0.66 -0.25 0.00 0.00 175.29 178.06 3b6b h SER 57 N 1.99 0.00 -0.00 5.90 4.64 -1.92 -2.63 113.55 121.53 3b6b h SER 57 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3b6b h SER 57 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3b6b h SER 57 CO 0.61 0.16 -0.01 0.00 -0.87 0.00 0.00 176.83 176.71 3b6b n TYR 58 N -3.93 0.00 -0.05 4.77 0.18 -1.26 -4.50 117.16 112.38 3b6b n TYR 58 Ca -0.02 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.68 3b6b n TYR 58 Cb 0.25 -0.01 -0.02 0.00 -0.38 0.00 0.00 39.34 39.19 3b6b n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3b6b h PHE 59 N 2.54 -0.19 -0.39 -3.48 3.04 -1.68 0.12 116.94 116.90 3b6b h PHE 59 Ca 0.00 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 3b6b h PHE 59 Cb 0.55 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 3b6b h PHE 59 CO 0.00 -0.14 -0.28 -0.91 -2.02 0.00 0.00 178.31 174.97 3b6b h ASN 60 N -0.04 0.91 -0.68 0.41 2.35 -1.83 -0.69 115.58 116.01 3b6b h ASN 60 Ca 0.12 -0.44 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 3b6b h ASN 60 Cb 0.22 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3b6b h ASN 60 CO -0.26 1.16 0.26 0.44 -1.65 0.00 0.00 177.43 177.38 3b6b h ASP 61 N 0.68 0.96 -0.46 5.81 3.32 -1.81 -1.36 116.42 123.56 3b6b h ASP 61 Ca 0.07 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3b6b h ASP 61 Cb 0.86 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3b6b h ASP 61 CO 0.07 0.88 0.03 -1.13 -1.72 0.00 0.00 179.24 177.38 3b6b h ASN 62 N 0.98 0.76 -0.85 6.45 -0.73 -0.62 -1.55 115.58 120.01 3b6b h ASN 62 Ca 0.23 -0.29 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 3b6b h ASN 62 Cb 0.23 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.58 3b6b h ASN 62 CO -0.02 0.86 0.47 0.00 -0.37 0.00 0.00 177.43 178.38 3b6b h ASP 64 N 1.19 0.54 -0.48 0.00 3.32 -0.99 -2.37 116.42 117.63 3b6b h ASP 64 Ca 0.30 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.35 3b6b h ASP 64 Cb 0.02 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3b6b h ASP 64 CO -0.05 0.42 0.26 0.15 -1.72 0.00 0.00 179.24 178.29 3b6b h PHE 65 N 0.62 0.47 0.00 4.55 3.04 -0.96 -2.35 116.94 122.32 3b6b h PHE 65 Ca 0.17 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3b6b h PHE 65 Cb -0.04 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.33 3b6b h PHE 65 CO -0.04 0.25 0.00 0.52 -2.02 0.00 0.00 178.31 177.02 3b6b h MET 66 N 0.51 0.00 -0.36 1.11 2.86 -0.80 -0.62 114.93 117.62 3b6b h MET 66 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3b6b h MET 66 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3b6b h MET 66 CO -0.13 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.17 3b6b n VAL 67 N -2.47 0.91 1.00 -2.22 0.24 -0.98 -4.58 118.33 110.22 3b6b n VAL 67 Ca 0.00 -0.95 0.13 0.00 -2.04 0.00 0.00 64.34 61.48 3b6b n VAL 67 Cb 0.17 0.57 0.59 0.00 -1.47 0.00 0.00 33.84 33.70 3b6b n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3b6b n SER 68 N 0.66 0.00 -1.48 -1.34 3.41 -0.24 -4.83 113.62 109.81 3b6b n SER 68 Ca 0.13 0.34 -0.01 0.00 -0.26 0.00 0.00 58.87 59.06 3b6b n SER 68 Cb 0.44 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3b6b n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b6b n GLY 69 N 1.14 1.23 3.75 5.00 0.00 -1.26 -5.07 105.19 109.98 3b6b n GLY 69 Ca 0.08 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 3b6b n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3b6b s PRO 70 N -2.01 1.99 0.04 1.61 0.02 -1.12 -4.53 135.00 131.00 3b6b s PRO 70 Ca 0.05 1.22 0.02 0.00 0.02 0.00 0.00 61.00 62.30 3b6b s PRO 70 Cb -0.01 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 3b6b s PRO 70 CO 0.01 -1.84 -0.07 0.42 -0.33 0.00 0.00 177.00 175.19 3b6b s ILE 71 N -2.86 0.49 -0.12 2.83 1.01 0.03 -3.20 121.20 119.38 3b6b s ILE 71 Ca 0.62 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3b6b s ILE 71 Cb -0.18 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 3b6b s ILE 71 CO 0.56 -0.46 -0.19 -0.63 0.00 0.00 0.00 174.94 174.23 3b6b s ILE 72 N -1.67 2.51 -0.16 2.92 1.01 -1.03 -0.47 121.20 124.30 3b6b s ILE 72 Ca -0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 3b6b s ILE 72 Cb -0.08 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3b6b s ILE 72 CO -0.01 0.54 0.04 -0.94 0.00 0.00 0.00 174.94 174.58 3b6b s SER 73 N 0.39 5.51 -0.01 3.58 1.04 -0.16 -0.82 113.70 123.22 3b6b s SER 73 Ca -0.14 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.39 3b6b s SER 73 Cb -0.17 -1.89 -0.00 0.00 0.10 0.00 0.00 66.02 64.06 3b6b s SER 73 CO 0.07 0.21 -0.08 -0.63 0.98 0.00 0.00 173.24 173.79 3b6b s ILE 74 N 0.15 0.63 -0.26 -1.02 1.01 0.26 -1.15 121.20 120.82 3b6b s ILE 74 Ca 0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 3b6b s ILE 74 Cb -0.12 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 3b6b s ILE 74 CO 0.01 0.19 0.16 -0.69 0.00 0.00 0.00 174.94 174.60 3b6b s VAL 75 N -0.04 5.11 0.01 2.92 1.01 0.19 -0.88 120.40 128.72 3b6b s VAL 75 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3b6b s VAL 75 Cb -0.05 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3b6b s VAL 75 CO -0.00 0.30 0.03 -0.31 0.00 0.00 0.00 175.10 175.11 3b6b s TYR 76 N 1.52 3.14 -0.03 5.22 1.51 -0.49 -0.96 117.35 127.26 3b6b s TYR 76 Ca 0.07 0.11 0.05 0.00 -1.01 0.00 0.00 57.07 56.29 3b6b s TYR 76 Cb -0.15 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3b6b s TYR 76 CO 0.08 0.49 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.84 3b6b s GLU 77 N -1.71 1.60 0.00 -0.62 2.12 0.59 -1.37 118.70 119.30 3b6b s GLU 77 Ca 0.22 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3b6b s GLU 77 Cb -0.12 -1.45 0.00 0.00 0.26 0.00 0.00 34.13 32.82 3b6b s GLU 77 CO 0.13 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 3b6b n GLY 78 N 2.95 -0.25 3.69 -1.50 0.00 -1.00 -1.38 105.19 107.69 3b6b n GLY 78 Ca -0.17 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3b6b n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b6b s THR 79 N -2.00 2.62 -1.59 2.61 2.01 -1.26 -1.48 115.64 116.55 3b6b s THR 79 Ca 0.00 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 3b6b s THR 79 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3b6b s THR 79 CO 0.00 -0.00 0.08 -0.67 -0.69 0.00 0.00 174.62 173.34 3b6b n ASP 80 N 5.94 -5.45 -0.31 3.53 4.64 0.07 -4.86 116.55 120.10 3b6b n ASP 80 Ca 0.18 -0.01 0.12 0.00 -1.38 0.00 0.00 54.79 53.70 3b6b n ASP 80 Cb 0.39 -4.53 0.30 0.00 -1.04 0.00 0.00 41.12 36.23 3b6b n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3b6b h ALA 81 N 1.00 1.46 0.87 -1.67 0.00 -1.72 -1.67 119.26 117.52 3b6b h ALA 81 Ca -0.45 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3b6b h ALA 81 Cb 1.33 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.20 3b6b h ALA 81 CO 0.53 -0.24 -0.42 0.82 0.00 0.00 0.00 179.25 179.94 3b6b h ILE 82 N 0.51 0.11 -0.57 0.00 2.04 -1.88 -0.87 117.51 116.84 3b6b h ILE 82 Ca 0.55 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 66.33 3b6b h ILE 82 Cb 0.96 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3b6b h ILE 82 CO -0.46 0.00 0.32 -1.28 0.00 0.00 0.00 178.15 176.73 3b6b h SER 83 N -1.22 0.71 -0.26 1.72 0.87 -1.84 -2.18 113.55 111.36 3b6b h SER 83 Ca -0.12 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 3b6b h SER 83 Cb 0.90 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3b6b h SER 83 CO 0.20 0.59 -0.03 0.11 -0.53 0.00 0.00 176.83 177.16 3b6b h LYS 84 N 0.77 0.48 -0.04 2.24 1.79 -1.26 -0.96 116.57 119.59 3b6b h LYS 84 Ca 0.20 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.36 3b6b h LYS 84 Cb 0.03 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 3b6b h LYS 84 CO -0.03 0.67 -0.61 0.82 -1.08 0.00 0.00 179.45 179.22 3b6b h ILE 85 N 0.24 1.41 -0.66 1.86 2.04 -1.18 0.15 117.51 121.36 3b6b h ILE 85 Ca 0.07 -2.02 -0.03 0.00 1.00 0.00 0.00 64.86 63.87 3b6b h ILE 85 Cb 0.48 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 3b6b h ILE 85 CO 0.02 0.59 0.29 -0.09 0.00 0.00 0.00 178.15 178.96 3b6b h ARG 86 N 0.11 0.98 -0.29 2.37 1.12 -1.32 0.18 114.38 117.53 3b6b h ARG 86 Ca -0.01 -0.16 -0.10 0.00 -1.11 0.00 0.00 59.98 58.60 3b6b h ARG 86 Cb 1.10 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 3b6b h ARG 86 CO 0.09 0.80 -0.24 0.00 -3.11 0.00 0.00 179.97 177.51 3b6b h ARG 87 N 0.93 0.56 -0.16 0.20 3.08 -0.82 -1.38 114.38 116.79 3b6b h ARG 87 Ca 0.22 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3b6b h ARG 87 Cb 0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3b6b h ARG 87 CO -0.02 0.76 0.07 1.25 -1.07 0.00 0.00 179.97 180.95 3b6b h LEU 88 N 0.49 0.22 -0.38 3.04 5.85 -0.56 -2.73 115.31 121.24 3b6b h LEU 88 Ca 0.07 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3b6b h LEU 88 Cb 0.68 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 3b6b h LEU 88 CO 0.05 0.31 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.78 3b6b h GLN 89 N 0.11 0.02 0.00 1.25 4.15 -0.59 0.94 115.11 120.99 3b6b h GLN 89 Ca 0.05 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3b6b h GLN 89 Cb 0.16 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3b6b h GLN 89 CO -0.00 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.32 3b6b n GLY 90 N -1.29 2.03 3.41 2.39 0.00 -0.53 -1.42 105.19 109.78 3b6b n GLY 90 Ca 0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 3b6b n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b6b s ASN 91 N -4.00 0.02 0.00 1.61 2.20 -1.26 -4.79 114.94 108.71 3b6b s ASN 91 Ca 0.00 -1.09 0.12 0.00 -0.94 0.00 0.00 52.86 50.95 3b6b s ASN 91 Cb 0.00 0.49 0.54 0.00 -2.00 0.00 0.00 41.25 40.28 3b6b s ASN 91 CO 0.00 -1.00 1.35 2.30 -2.94 0.00 0.00 177.10 176.81 3b6b n ILE 92 N -0.32 1.00 1.02 0.54 -5.35 -1.26 -1.52 119.36 113.47 3b6b n ILE 92 Ca -0.01 0.25 0.11 0.00 -0.27 0.00 0.00 62.75 62.83 3b6b n ILE 92 Cb 0.64 -1.05 0.14 0.00 -1.74 0.00 0.00 39.64 37.63 3b6b n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3b6b n LEU 93 N -1.42 0.73 -4.05 7.28 4.77 -1.26 -4.65 117.00 118.40 3b6b n LEU 93 Ca 0.04 -0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 3b6b n LEU 93 Cb 0.12 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 3b6b n LEU 93 CO 0.10 0.17 -0.23 -0.89 -1.33 0.00 0.00 177.39 175.22 3b6b s THR 94 N -2.95 2.76 0.56 -5.08 2.01 -0.58 -5.03 115.64 107.34 3b6b s THR 94 Ca 0.11 -2.44 -0.21 0.00 0.31 0.00 0.00 61.69 59.47 3b6b s THR 94 Cb 0.17 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 3b6b s THR 94 CO 0.73 -0.68 1.32 -2.84 -0.69 0.00 0.00 174.62 172.47 3b6b s PRO 95 N 0.74 3.05 0.00 4.92 0.02 -1.26 -2.79 135.00 139.68 3b6b s PRO 95 Ca 0.11 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3b6b s PRO 95 Cb -0.21 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.14 3b6b s PRO 95 CO -0.05 -1.23 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 3b6b n GLY 96 N 0.73 2.98 3.98 0.52 0.00 -1.26 -4.95 105.19 107.19 3b6b n GLY 96 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3b6b n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b6b s THR 97 N -2.79 3.98 0.11 2.61 -4.23 -1.12 -4.93 115.64 109.28 3b6b s THR 97 Ca 0.00 -0.87 -0.26 0.00 -1.18 0.00 0.00 61.69 59.39 3b6b s THR 97 Cb 0.00 -3.40 -0.09 0.00 1.34 0.00 0.00 72.50 70.35 3b6b s THR 97 CO 0.00 -0.19 1.66 0.40 -0.54 0.00 0.00 174.62 175.95 3b6b h ILE 98 N 0.74 0.54 -0.18 2.99 2.04 -0.83 0.13 117.51 122.93 3b6b h ILE 98 Ca -0.46 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 3b6b h ILE 98 Cb 1.26 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3b6b h ILE 98 CO 0.54 0.00 -0.48 0.03 0.00 0.00 0.00 178.15 178.24 3b6b h ARG 99 N -0.38 0.48 -0.55 2.37 3.08 -1.48 -1.82 114.38 116.10 3b6b h ARG 99 Ca 0.03 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3b6b h ARG 99 Cb 0.40 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3b6b h ARG 99 CO -0.12 0.86 0.09 0.78 -1.07 0.00 0.00 179.97 180.51 3b6b h GLY 100 N 1.13 0.93 1.49 0.04 0.00 -1.04 -0.70 103.07 104.92 3b6b h GLY 100 Ca 0.02 -0.58 -0.26 0.00 0.00 0.00 0.00 47.33 46.52 3b6b h GLY 100 CO 0.09 0.54 -1.36 -0.55 0.00 0.00 0.00 176.54 175.26 3b6b h ASP 101 N 0.83 0.09 0.00 0.19 3.32 -0.72 -3.40 116.42 116.73 3b6b h ASP 101 Ca 0.17 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3b6b h ASP 101 Cb 0.36 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3b6b h ASP 101 CO 0.01 1.11 -0.48 0.18 -1.72 0.00 0.00 179.24 178.33 3b6b n LEU 102 N -3.27 0.00 -4.47 1.55 4.77 -0.69 -5.06 117.00 109.83 3b6b n LEU 102 Ca -0.09 -0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.48 3b6b n LEU 102 Cb 1.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.98 3b6b n LEU 102 CO 0.47 0.00 -0.50 0.00 -1.33 0.00 0.00 177.39 176.04 3b6b s ALA 103 N -1.24 2.66 -0.31 -1.18 0.00 -0.28 -5.02 121.76 116.39 3b6b s ALA 103 Ca 0.00 -1.63 0.17 0.00 0.00 0.00 0.00 51.96 50.50 3b6b s ALA 103 Cb 0.00 -0.42 0.45 0.00 0.00 0.00 0.00 23.12 23.15 3b6b s ALA 103 CO 0.00 0.42 1.33 -1.71 0.00 0.00 0.00 175.76 175.80 3b6b n ASN 104 N 0.10 -0.09 -3.86 0.00 5.15 -1.26 -4.68 115.26 110.62 3b6b n ASN 104 Ca -0.11 -2.18 -0.11 0.00 -0.60 0.00 0.00 54.58 51.58 3b6b n ASN 104 Cb 0.56 0.16 -0.09 0.00 -0.53 0.00 0.00 39.78 39.89 3b6b n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3b6b s ASP 105 N -2.34 0.04 0.38 1.20 -1.08 -1.26 -5.04 116.67 108.57 3b6b s ASP 105 Ca 0.18 -0.30 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 3b6b s ASP 105 Cb 0.39 0.25 0.76 0.00 -1.46 0.00 0.00 42.92 42.87 3b6b s ASP 105 CO -0.08 -0.47 1.79 -0.29 0.52 0.00 0.00 175.17 176.64 3b6b h ILE 106 N 3.81 1.01 0.00 4.11 2.10 -2.02 -3.39 117.51 123.14 3b6b h ILE 106 Ca -0.31 -1.39 -0.17 0.00 1.08 0.00 0.00 64.86 64.06 3b6b h ILE 106 Cb 1.19 1.81 -0.03 0.00 -1.09 0.00 0.00 36.82 38.70 3b6b h ILE 106 CO 0.45 0.36 -1.48 -1.14 -1.08 0.00 0.00 178.15 175.26 3b6b n ARG 107 N -3.73 0.26 -2.73 2.19 0.63 -1.26 -4.82 116.66 107.20 3b6b n ARG 107 Ca -0.01 0.11 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 3b6b n ARG 107 Cb 0.46 -0.94 -0.02 0.00 0.45 0.00 0.00 32.46 32.41 3b6b n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3b6b s GLU 108 N -2.26 3.78 -0.08 -0.14 2.02 -1.26 -4.68 118.70 116.08 3b6b s GLU 108 Ca -0.17 -1.76 0.12 0.00 0.02 0.00 0.00 54.97 53.18 3b6b s GLU 108 Cb 0.06 -5.24 0.22 0.00 0.10 0.00 0.00 34.13 29.26 3b6b s GLU 108 CO 0.21 -2.03 1.11 0.27 0.02 0.00 0.00 175.26 174.84 3b6b n ASN 109 N 7.60 1.25 0.00 -0.19 0.23 -1.26 -4.04 115.26 118.85 3b6b n ASN 109 Ca 0.35 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.74 3b6b n ASN 109 Cb 0.48 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3b6b n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3b6b n LEU 110 N -0.64 0.00 -3.72 -4.53 4.77 -1.26 -4.80 117.00 106.82 3b6b n LEU 110 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3b6b n LEU 110 Cb 0.73 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 3b6b n LEU 110 CO -0.01 0.00 0.13 -0.51 -1.33 0.00 0.00 177.39 175.67 3b6b s ILE 111 N 0.00 -0.00 -0.09 -0.08 2.07 -1.26 -0.88 121.20 120.96 3b6b s ILE 111 Ca 0.00 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3b6b s ILE 111 Cb 0.00 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 3b6b s ILE 111 CO 0.00 0.00 -0.08 -2.28 -1.91 0.00 0.00 174.94 170.67 3b6b s HIS 112 N 0.36 2.90 -0.00 3.50 5.65 -0.20 -4.97 115.29 122.53 3b6b s HIS 112 Ca -0.01 -0.15 0.05 0.00 0.25 0.00 0.00 55.06 55.19 3b6b s HIS 112 Cb -0.04 -1.76 -0.01 0.00 -1.18 0.00 0.00 32.58 29.59 3b6b s HIS 112 CO -0.01 0.17 -0.15 0.00 -0.65 0.00 0.00 174.74 174.10 3b6b s ALA 113 N -0.43 1.26 0.42 1.58 0.00 -1.26 -0.98 121.76 122.35 3b6b s ALA 113 Ca 0.06 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 3b6b s ALA 113 Cb -0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.60 3b6b s ALA 113 CO 0.02 0.30 1.11 0.43 0.00 0.00 0.00 175.76 177.62 3b6b n SER 114 N 2.57 1.72 -0.66 0.00 7.64 -0.74 -4.90 113.62 119.25 3b6b n SER 114 Ca -0.15 1.06 0.06 0.00 1.01 0.00 0.00 58.87 60.85 3b6b n SER 114 Cb 0.55 -1.41 0.14 0.00 -1.01 0.00 0.00 64.21 62.48 3b6b n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3b6b n ASP 115 N 0.35 2.77 -3.62 6.43 5.75 -1.26 -4.67 116.55 122.30 3b6b n ASP 115 Ca 0.09 -1.87 -0.06 0.00 -0.01 0.00 0.00 54.79 52.94 3b6b n ASP 115 Cb 0.39 -0.19 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 3b6b n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3b6b s SER 116 N -1.01 -0.16 0.17 -1.12 1.04 -1.26 -4.99 113.70 106.37 3b6b s SER 116 Ca 0.23 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 3b6b s SER 116 Cb 0.13 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.93 3b6b s SER 116 CO 0.17 -1.20 1.52 -0.33 0.98 0.00 0.00 173.24 174.38 3b6b h GLU 117 N 2.00 0.83 -0.44 4.02 5.08 -1.98 -1.74 114.58 122.36 3b6b h GLU 117 Ca -0.24 -0.42 -0.11 0.00 -1.00 0.00 0.00 59.36 57.59 3b6b h GLU 117 Cb 1.24 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3b6b h GLU 117 CO 0.28 1.06 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.76 3b6b h ASP 118 N 0.69 0.88 -0.71 1.42 3.32 -2.00 -2.55 116.42 117.48 3b6b h ASP 118 Ca 0.06 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3b6b h ASP 118 Cb 0.93 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3b6b h ASP 118 CO 0.09 1.06 0.39 0.28 -1.72 0.00 0.00 179.24 179.34 3b6b h SER 119 N 0.70 0.89 -0.22 6.45 0.02 -1.94 -1.98 113.55 117.47 3b6b h SER 119 Ca 0.11 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3b6b h SER 119 Cb 0.70 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3b6b h SER 119 CO 0.05 0.73 0.05 0.00 -1.14 0.00 0.00 176.83 176.52 3b6b h ALA 120 N 1.19 0.29 -0.24 3.77 0.00 -1.25 0.16 119.26 123.19 3b6b h ALA 120 Ca 0.25 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3b6b h ALA 120 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3b6b h ALA 120 CO -0.04 -0.06 0.07 0.28 0.00 0.00 0.00 179.25 179.50 3b6b h VAL 121 N 0.17 0.92 0.07 0.00 2.07 -1.41 0.10 116.25 118.17 3b6b h VAL 121 Ca 0.07 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3b6b h VAL 121 Cb 0.28 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3b6b h VAL 121 CO 0.00 0.03 -0.03 -0.78 0.02 0.00 0.00 177.57 176.81 3b6b h ASP 122 N 0.18 -0.08 -0.56 0.57 3.58 -1.20 -1.42 116.42 117.49 3b6b h ASP 122 Ca 0.11 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 3b6b h ASP 122 Cb 0.09 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3b6b h ASP 122 CO -0.12 0.12 0.16 -0.33 -2.88 0.00 0.00 179.24 176.19 3b6b h GLU 123 N -0.28 0.87 -0.89 0.28 5.08 -0.60 -1.30 114.58 117.75 3b6b h GLU 123 Ca -0.01 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3b6b h GLU 123 Cb 0.24 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3b6b h GLU 123 CO 0.02 0.81 0.58 0.82 -1.00 0.00 0.00 179.01 180.23 3b6b h ILE 124 N 0.78 1.06 -0.31 3.13 2.04 -0.73 -2.00 117.51 121.48 3b6b h ILE 124 Ca 0.18 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 3b6b h ILE 124 Cb 0.31 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3b6b h ILE 124 CO -0.00 0.18 -0.25 0.77 0.00 0.00 0.00 178.15 178.86 3b6b h SER 125 N 1.01 0.61 -0.03 1.72 4.64 -0.51 0.32 113.55 121.31 3b6b h SER 125 Ca 0.39 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3b6b h SER 125 Cb 0.21 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3b6b h SER 125 CO -0.14 0.84 0.01 0.40 -0.87 0.00 0.00 176.83 177.07 3b6b h ILE 126 N 0.53 1.17 0.00 0.95 2.04 -0.58 -3.05 117.51 118.58 3b6b h ILE 126 Ca 0.07 -0.52 -0.19 0.00 1.00 0.00 0.00 64.86 65.23 3b6b h ILE 126 Cb 0.70 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3b6b h ILE 126 CO 0.05 0.14 -1.29 -0.50 0.00 0.00 0.00 178.15 176.55 3b6b h TRP 127 N -0.16 0.00 -2.08 1.37 4.06 -1.34 -3.40 115.95 114.40 3b6b h TRP 127 Ca 0.01 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.38 3b6b h TRP 127 Cb 0.22 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 27.98 3b6b h TRP 127 CO -0.00 0.70 -0.90 1.19 -3.56 0.00 0.00 178.44 175.86 3b6b n PHE 128 N -3.02 1.22 0.46 0.49 3.72 0.11 -5.03 117.46 115.41 3b6b n PHE 128 Ca -0.08 -3.80 0.04 0.00 -0.05 0.00 0.00 57.45 53.56 3b6b n PHE 128 Cb 0.88 -0.43 0.22 0.00 -0.94 0.00 0.00 39.48 39.21 3b6b n PHE 128 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36