#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbf s LEU 1 N 0.00 4.28 0.10 0.99 0.20 -1.26 0.61 118.68 123.61 3fbf s LEU 1 Ca 0.00 1.25 0.02 0.00 0.69 0.00 0.00 54.13 56.09 3fbf s LEU 1 Cb 0.00 -3.19 -0.04 0.00 -0.43 0.00 0.00 46.19 42.53 3fbf s LEU 1 CO 0.00 -0.21 -0.07 -1.10 -0.29 0.00 0.00 176.35 174.67 3fbf s GLN 2 N 1.20 0.86 0.13 1.98 -0.21 -0.82 -4.89 119.66 117.91 3fbf s GLN 2 Ca 0.40 -1.33 0.06 0.00 0.02 0.00 0.00 55.36 54.50 3fbf s GLN 2 Cb -0.18 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.52 3fbf s GLN 2 CO 0.18 -0.00 -0.00 1.03 -2.12 0.00 0.00 175.29 174.37 3fbf s ARG 3 N -3.74 2.46 0.02 2.91 1.81 -1.26 -1.78 118.95 119.38 3fbf s ARG 3 Ca 0.12 -0.96 -0.10 0.00 -1.72 0.00 0.00 55.73 53.07 3fbf s ARG 3 Cb 0.04 -2.45 0.01 0.00 -0.45 0.00 0.00 34.95 32.10 3fbf s ARG 3 CO -0.04 0.50 0.20 -0.08 -0.68 0.00 0.00 175.30 175.21 3fbf s THR 4 N -1.48 0.09 -0.21 0.02 -1.32 0.07 -4.66 115.64 108.15 3fbf s THR 4 Ca 0.26 -0.77 -0.10 0.00 -1.21 0.00 0.00 61.69 59.87 3fbf s THR 4 Cb -0.11 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.08 3fbf s THR 4 CO 0.18 -0.43 0.14 -0.22 -2.21 0.00 0.00 174.62 172.08 3fbf s LEU 5 N -1.81 4.17 -0.08 9.08 2.96 -1.26 -1.01 118.68 130.73 3fbf s LEU 5 Ca -0.09 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 3fbf s LEU 5 Cb -0.03 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 3fbf s LEU 5 CO -0.01 0.14 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.24 3fbf s VAL 6 N 0.58 1.96 -0.13 1.68 1.01 0.12 -2.40 120.40 123.21 3fbf s VAL 6 Ca 0.08 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3fbf s VAL 6 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3fbf s VAL 6 CO 0.00 0.54 -0.04 -0.76 0.00 0.00 0.00 175.10 174.85 3fbf s LEU 7 N 0.17 3.28 -0.32 3.92 1.43 -0.11 0.43 118.68 127.48 3fbf s LEU 7 Ca -0.12 -0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 3fbf s LEU 7 Cb -0.16 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3fbf s LEU 7 CO 0.06 0.23 0.27 -0.63 0.23 0.00 0.00 176.35 176.52 3fbf s ILE 8 N 0.01 5.25 0.61 -0.59 1.01 0.13 -0.67 121.20 126.95 3fbf s ILE 8 Ca 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.60 3fbf s ILE 8 Cb -0.13 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 3fbf s ILE 8 CO 0.03 0.05 0.96 -0.54 0.00 0.00 0.00 174.94 175.44 3fbf s LYS 9 N 1.85 3.22 0.51 2.79 1.02 0.29 -2.09 119.74 127.33 3fbf s LYS 9 Ca 0.09 0.37 0.23 0.00 0.02 0.00 0.00 55.97 56.68 3fbf s LYS 9 Cb -0.17 -2.18 1.34 0.00 -0.52 0.00 0.00 37.83 36.30 3fbf s LYS 9 CO 0.11 -0.65 1.99 -1.35 -0.92 0.00 0.00 175.35 174.53 3fbf h PRO 10 N -0.26 0.07 0.00 -1.68 0.11 -1.81 0.69 132.00 129.12 3fbf h PRO 10 Ca -0.45 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3fbf h PRO 10 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3fbf h PRO 10 CO 0.62 0.04 -0.27 0.38 -0.21 0.00 0.00 178.00 178.57 3fbf h ASP 11 N 0.07 0.00 -0.76 -2.05 2.03 -1.90 -0.45 116.42 113.35 3fbf h ASP 11 Ca 0.26 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.54 3fbf h ASP 11 Cb 0.95 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.41 3fbf h ASP 11 CO -0.02 0.27 0.39 0.00 -1.03 0.00 0.00 179.24 178.84 3fbf h ALA 12 N 1.73 0.98 -0.20 4.15 0.00 -1.11 -0.92 119.26 123.89 3fbf h ALA 12 Ca -0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3fbf h ALA 12 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fbf h ALA 12 CO 0.03 0.53 -0.56 0.74 0.00 0.00 0.00 179.25 180.00 3fbf h PHE 13 N 1.07 0.95 -0.45 0.00 -1.00 -1.33 0.16 116.94 116.34 3fbf h PHE 13 Ca 0.26 -0.37 0.08 0.00 2.81 0.00 0.00 57.97 60.75 3fbf h PHE 13 Cb 0.09 -0.16 -0.07 0.00 3.61 0.00 0.00 35.95 39.42 3fbf h PHE 13 CO 0.01 1.18 0.06 1.49 -1.61 0.00 0.00 178.31 179.44 3fbf h GLU 14 N 0.45 0.18 -0.65 1.51 4.57 -0.88 -2.77 114.58 116.99 3fbf h GLU 14 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3fbf h GLU 14 Cb 1.18 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3fbf h GLU 14 CO 0.12 0.12 0.00 0.54 -1.18 0.00 0.00 179.01 178.61 3fbf n ARG 15 N -5.14 2.52 -3.40 1.92 1.74 -0.37 -4.95 116.66 108.98 3fbf n ARG 15 Ca 0.04 -2.37 -0.24 0.00 -0.77 0.00 0.00 57.85 54.51 3fbf n ARG 15 Cb 0.22 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.20 3fbf n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3fbf n SER 16 N 1.43 -5.74 -1.13 0.55 7.64 -0.18 -4.87 113.62 111.32 3fbf n SER 16 Ca 0.22 -0.46 0.10 0.00 1.01 0.00 0.00 58.87 59.73 3fbf n SER 16 Cb 0.56 -4.59 0.27 0.00 -1.01 0.00 0.00 64.21 59.43 3fbf n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fbf n LEU 17 N -4.44 3.61 0.05 -3.43 4.77 0.37 -4.65 117.00 113.29 3fbf n LEU 17 Ca -0.04 -1.95 -0.11 0.00 -0.03 0.00 0.00 56.01 53.88 3fbf n LEU 17 Cb 0.58 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3fbf n LEU 17 CO 0.58 0.89 0.78 0.58 -1.33 0.00 0.00 177.39 178.89 3fbf h VAL 18 N 3.65 0.67 -0.05 4.08 2.07 -1.89 -0.35 116.25 124.42 3fbf h VAL 18 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 3fbf h VAL 18 Cb 0.91 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3fbf h VAL 18 CO 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 177.57 176.95 3fbf h ALA 19 N 0.74 0.82 -0.09 1.67 0.00 -1.94 -1.85 119.26 118.61 3fbf h ALA 19 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.41 3fbf h ALA 19 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3fbf h ALA 19 CO -0.13 0.76 -0.06 1.49 0.00 0.00 0.00 179.25 181.30 3fbf h GLU 20 N 0.15 -0.07 -0.36 0.00 4.57 -1.76 0.37 114.58 117.49 3fbf h GLU 20 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3fbf h GLU 20 Cb 1.15 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 3fbf h GLU 20 CO 0.10 -0.05 0.19 0.82 -1.18 0.00 0.00 179.01 178.89 3fbf h ILE 21 N -0.07 1.14 -0.32 2.32 2.04 -0.79 -2.44 117.51 119.40 3fbf h ILE 21 Ca 0.06 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3fbf h ILE 21 Cb 0.15 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3fbf h ILE 21 CO -0.13 0.15 -0.27 0.24 0.00 0.00 0.00 178.15 178.14 3fbf h MET 22 N 0.45 0.64 -0.78 2.37 2.86 -1.11 -3.00 114.93 116.35 3fbf h MET 22 Ca 0.13 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3fbf h MET 22 Cb 0.07 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3fbf h MET 22 CO -0.02 0.84 0.52 0.78 1.06 0.00 0.00 176.91 180.09 3fbf h GLY 23 N 1.00 1.10 1.54 8.32 0.00 0.04 -0.03 103.07 115.03 3fbf h GLY 23 Ca 0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3fbf h GLY 23 CO 0.06 0.38 -0.24 3.21 0.00 0.00 0.00 176.54 179.94 3fbf h ARG 24 N 1.03 0.54 -0.10 4.80 3.08 -1.30 -0.55 114.38 121.87 3fbf h ARG 24 Ca 0.30 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 3fbf h ARG 24 Cb -0.06 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 29.97 3fbf h ARG 24 CO -0.07 0.74 -0.69 0.82 -1.07 0.00 0.00 179.97 179.69 3fbf h ILE 25 N 0.48 1.32 -0.97 2.04 2.04 -1.44 -3.14 117.51 117.85 3fbf h ILE 25 Ca 0.07 -1.96 0.05 0.00 1.00 0.00 0.00 64.86 64.02 3fbf h ILE 25 Cb 0.68 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.86 3fbf h ILE 25 CO 0.05 0.60 0.63 -0.08 0.00 0.00 0.00 178.15 179.35 3fbf h GLU 26 N 0.31 1.16 0.00 2.37 4.81 -0.81 -2.68 114.58 119.74 3fbf h GLU 26 Ca -0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3fbf h GLU 26 Cb 1.34 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3fbf h GLU 26 CO 0.14 0.77 0.00 1.63 -0.73 0.00 0.00 179.01 180.82 3fbf n LYS 27 N -4.49 0.15 -0.22 1.92 5.02 -0.23 -1.28 118.16 119.03 3fbf n LYS 27 Ca 0.14 0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.75 3fbf n LYS 27 Cb 0.13 -1.71 0.26 0.00 -0.02 0.00 0.00 35.03 33.69 3fbf n LYS 27 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3fbf n LYS 28 N -1.97 2.23 -1.22 1.97 3.00 -1.02 -4.94 118.16 116.21 3fbf n LYS 28 Ca 0.05 -1.89 -0.02 0.00 -0.00 0.00 0.00 58.31 56.45 3fbf n LYS 28 Cb 0.32 -1.44 -0.01 0.00 0.00 0.00 0.00 35.03 33.90 3fbf n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3fbf n ASN 29 N 1.06 -2.90 -4.84 3.14 4.05 -0.40 -5.05 115.26 110.31 3fbf n ASN 29 Ca 0.18 0.04 -0.34 0.00 0.45 0.00 0.00 54.58 54.91 3fbf n ASN 29 Cb 0.48 -0.86 -0.06 0.00 1.23 0.00 0.00 39.78 40.56 3fbf n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3fbf s PHE 30 N -2.07 3.51 -0.01 1.20 0.40 -1.17 -4.94 117.98 114.91 3fbf s PHE 30 Ca 0.00 1.18 0.03 0.00 -0.60 0.00 0.00 56.93 57.53 3fbf s PHE 30 Cb 0.00 -2.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.02 3fbf s PHE 30 CO 0.00 0.27 -0.06 0.15 0.70 0.00 0.00 175.22 176.28 3fbf s LYS 31 N -2.44 2.61 -0.16 0.44 -0.14 -0.62 -4.50 119.74 114.93 3fbf s LYS 31 Ca 0.46 -0.68 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 3fbf s LYS 31 Cb -0.13 -2.54 -0.01 0.00 -1.68 0.00 0.00 37.83 33.46 3fbf s LYS 31 CO 0.19 0.61 1.25 0.42 -0.76 0.00 0.00 175.35 177.07 3fbf s ILE 32 N -0.99 4.29 -0.19 2.17 1.01 -1.26 -0.65 121.20 125.58 3fbf s ILE 32 Ca 0.17 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.41 3fbf s ILE 32 Cb -0.11 -4.01 -0.21 0.00 0.01 0.00 0.00 42.46 38.13 3fbf s ILE 32 CO 0.07 -0.12 0.06 0.52 0.00 0.00 0.00 174.94 175.47 3fbf n VAL 33 N 5.29 1.58 -3.63 2.92 0.31 0.65 -4.96 118.33 120.50 3fbf n VAL 33 Ca 0.14 -0.65 -0.10 0.00 -0.01 0.00 0.00 64.34 63.72 3fbf n VAL 33 Cb 0.45 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 3fbf n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fbf s SER 34 N -6.54 -0.38 -0.28 4.52 1.04 -1.18 -4.99 113.70 105.89 3fbf s SER 34 Ca -0.26 -0.31 -0.21 0.00 0.48 0.00 0.00 55.95 55.66 3fbf s SER 34 Cb 0.08 0.61 0.09 0.00 0.10 0.00 0.00 66.02 66.90 3fbf s SER 34 CO 0.70 -1.07 0.78 -0.32 0.98 0.00 0.00 173.24 174.31 3fbf s MET 35 N -3.83 0.70 -0.01 4.02 0.00 -1.26 -1.03 119.30 117.88 3fbf s MET 35 Ca 0.06 0.99 0.03 0.00 0.00 0.00 0.00 55.69 56.77 3fbf s MET 35 Cb -0.02 0.26 -0.01 0.00 0.00 0.00 0.00 34.83 35.06 3fbf s MET 35 CO -0.05 -0.11 -0.11 0.15 0.00 0.00 0.00 175.02 174.90 3fbf s LYS 36 N 0.90 0.92 -0.21 4.11 1.02 -0.01 -5.01 119.74 121.46 3fbf s LYS 36 Ca -0.04 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 55.49 3fbf s LYS 36 Cb -0.05 -0.88 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 3fbf s LYS 36 CO -0.09 0.22 0.07 0.12 -0.92 0.00 0.00 175.35 174.75 3fbf s PHE 37 N -0.21 3.17 -0.25 3.18 5.36 -1.26 -1.31 117.98 126.66 3fbf s PHE 37 Ca 0.03 -0.12 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 3fbf s PHE 37 Cb -0.05 -2.15 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3fbf s PHE 37 CO -0.00 -0.07 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.02 3fbf s TRP 38 N 0.93 3.12 0.26 10.12 0.52 -0.06 -4.99 118.94 128.84 3fbf s TRP 38 Ca 0.04 -1.87 -0.03 0.00 0.02 0.00 0.00 56.10 54.25 3fbf s TRP 38 Cb -0.14 -2.00 0.33 0.00 -1.15 0.00 0.00 33.47 30.52 3fbf s TRP 38 CO 0.03 -0.80 1.82 0.66 0.02 0.00 0.00 176.95 178.67 3fbf h SER 39 N 7.92 0.87 -2.97 2.95 4.64 -1.92 -0.41 113.55 124.63 3fbf h SER 39 Ca -0.29 -0.15 -0.23 0.00 -0.47 0.00 0.00 61.79 60.66 3fbf h SER 39 Cb 1.08 -0.23 -0.33 0.00 -0.31 0.00 0.00 62.40 62.62 3fbf h SER 39 CO 0.54 0.82 -0.55 -0.75 -0.87 0.00 0.00 176.83 176.02 3fbf s LYS 40 N -5.33 0.12 0.19 4.77 2.20 -1.26 -2.72 119.74 117.71 3fbf s LYS 40 Ca -0.11 0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 55.88 3fbf s LYS 40 Cb 0.16 -0.10 -0.08 0.00 -1.51 0.00 0.00 37.83 36.30 3fbf s LYS 40 CO 0.81 -0.28 1.14 0.00 -0.36 0.00 0.00 175.35 176.67 3fbf s ALA 41 N 2.25 3.40 -0.06 3.13 0.00 -1.26 -4.96 121.76 124.27 3fbf s ALA 41 Ca 0.00 0.88 -0.35 0.00 0.00 0.00 0.00 51.96 52.49 3fbf s ALA 41 Cb -0.12 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 3fbf s ALA 41 CO -0.08 -0.27 1.79 -2.30 0.00 0.00 0.00 175.76 174.90 3fbf n PRO 42 N 2.33 2.02 0.11 0.00 -0.02 -1.26 -4.86 135.00 133.33 3fbf n PRO 42 Ca 0.03 0.74 0.20 0.00 -2.02 0.00 0.00 63.50 62.45 3fbf n PRO 42 Cb 0.45 -2.55 0.76 0.00 -0.02 0.00 0.00 33.50 32.15 3fbf n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fbf h ARG 43 N 8.21 0.00 -0.26 -0.52 2.43 -1.99 -0.24 114.38 122.01 3fbf h ARG 43 Ca -0.48 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 3fbf h ARG 43 Cb 1.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 3fbf h ARG 43 CO 0.93 0.00 0.03 -0.97 -1.51 0.00 0.00 179.97 178.46 3fbf h ASN 44 N 0.00 0.43 -0.46 -3.80 -0.73 -1.99 -1.51 115.58 107.52 3fbf h ASN 44 Ca 0.17 -0.27 0.07 0.00 1.87 0.00 0.00 56.30 58.14 3fbf h ASN 44 Cb 0.95 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 39.37 3fbf h ASN 44 CO -0.00 0.59 0.11 -0.07 -0.37 0.00 0.00 177.43 177.69 3fbf h LEU 45 N 0.25 0.06 -0.67 0.34 4.07 -1.41 0.45 115.31 118.39 3fbf h LEU 45 Ca 0.08 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 3fbf h LEU 45 Cb 0.35 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 3fbf h LEU 45 CO 0.01 0.06 0.28 0.40 -1.08 0.00 0.00 178.44 178.11 3fbf h ILE 46 N 0.26 1.24 -0.56 1.22 1.08 -1.46 0.11 117.51 119.40 3fbf h ILE 46 Ca 0.22 -0.72 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 3fbf h ILE 46 Cb 0.27 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 3fbf h ILE 46 CO -0.27 0.29 0.19 -0.33 -0.69 0.00 0.00 178.15 177.33 3fbf h GLU 47 N 0.94 0.87 0.06 2.37 5.08 -0.76 -1.95 114.58 121.19 3fbf h GLU 47 Ca 0.22 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3fbf h GLU 47 Cb 0.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3fbf h GLU 47 CO -0.02 0.78 -0.03 1.96 -1.00 0.00 0.00 179.01 180.70 3fbf h GLN 48 N 0.79 -0.08 -0.98 2.33 4.20 -0.70 -2.02 115.11 118.65 3fbf h GLN 48 Ca 0.18 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.02 3fbf h GLN 48 Cb 0.26 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 3fbf h GLN 48 CO -0.01 0.09 0.62 1.25 -0.67 0.00 0.00 178.83 180.11 3fbf h HIS 49 N -0.24 1.08 -0.67 2.96 2.76 -0.57 -0.18 115.15 120.28 3fbf h HIS 49 Ca -0.01 0.03 -0.37 0.00 -2.20 0.00 0.00 60.37 57.83 3fbf h HIS 49 Cb 0.21 -0.34 -0.21 0.00 1.55 0.00 0.00 27.41 28.62 3fbf h HIS 49 CO -0.02 0.42 0.25 0.66 -1.30 0.00 0.00 177.93 177.95 3fbf n TYR 50 N -4.61 2.10 -0.19 5.26 0.53 -0.75 -4.73 117.16 114.77 3fbf n TYR 50 Ca 0.19 -1.82 0.00 0.00 -1.02 0.00 0.00 57.90 55.25 3fbf n TYR 50 Cb 0.38 -0.74 0.10 0.00 -1.03 0.00 0.00 39.34 38.05 3fbf n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3fbf h LYS 51 N 1.10 0.22 -0.42 -0.72 2.10 -0.25 0.18 116.57 118.78 3fbf h LYS 51 Ca 0.43 -0.01 0.12 0.00 -2.00 0.00 0.00 60.65 59.18 3fbf h LYS 51 Cb 2.11 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 33.37 3fbf h LYS 51 CO 0.78 0.14 0.86 1.49 -2.00 0.00 0.00 179.45 180.72 3fbf h GLU 52 N 0.23 0.00 -0.02 0.07 4.57 -1.85 0.33 114.58 117.91 3fbf h GLU 52 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3fbf h GLU 52 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3fbf h GLU 52 CO -0.42 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.13 3fbf n HIS 53 N -3.02 0.00 0.26 0.92 8.25 0.05 -4.67 115.22 117.01 3fbf n HIS 53 Ca 0.09 -0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.60 3fbf n HIS 53 Cb 1.01 -0.00 0.31 0.00 1.12 0.00 0.00 29.99 32.43 3fbf n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3fbf h SER 54 N 2.84 0.00 0.00 0.41 4.64 -0.32 -0.50 113.55 120.61 3fbf h SER 54 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3fbf h SER 54 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.64 3fbf h SER 54 CO 0.00 0.00 -2.26 -0.62 -0.87 0.00 0.00 176.83 173.08 3fbf n GLU 55 N -2.34 0.76 -1.24 4.77 4.71 -1.26 -4.93 120.64 121.10 3fbf n GLU 55 Ca -0.01 -0.05 -0.34 0.00 -0.01 0.00 0.00 57.16 56.75 3fbf n GLU 55 Cb 0.61 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.65 3fbf n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3fbf s GLN 56 N -2.70 1.83 0.12 3.49 -1.52 -0.20 -4.88 119.66 115.80 3fbf s GLN 56 Ca -0.09 1.78 0.22 0.00 -1.95 0.00 0.00 55.36 55.32 3fbf s GLN 56 Cb 0.08 -1.79 0.87 0.00 -0.22 0.00 0.00 33.01 31.94 3fbf s GLN 56 CO 0.82 -2.08 1.67 -1.13 -0.25 0.00 0.00 175.29 174.32 3fbf n SER 57 N -3.05 0.35 -0.83 5.90 3.41 -1.26 -2.46 113.62 115.68 3fbf n SER 57 Ca 0.14 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 3fbf n SER 57 Cb 0.50 -0.65 0.28 0.00 -0.26 0.00 0.00 64.21 64.08 3fbf n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fbf n TYR 58 N -1.87 0.42 -0.08 7.33 0.18 -1.26 -4.56 117.16 117.32 3fbf n TYR 58 Ca 0.04 -0.21 -0.11 0.00 1.88 0.00 0.00 57.90 59.50 3fbf n TYR 58 Cb 0.25 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.17 3fbf n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3fbf h PHE 59 N 3.09 0.44 -0.22 -3.48 3.04 -1.74 -1.68 116.94 116.38 3fbf h PHE 59 Ca 0.00 -0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.79 3fbf h PHE 59 Cb 0.69 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 3fbf h PHE 59 CO 0.21 0.53 -0.26 -0.91 -2.02 0.00 0.00 178.31 175.86 3fbf h ASN 60 N 0.21 0.62 -0.69 0.41 2.35 -1.84 -1.77 115.58 114.87 3fbf h ASN 60 Ca 0.07 -0.49 0.03 0.00 -0.55 0.00 0.00 56.30 55.36 3fbf h ASN 60 Cb 0.33 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 3fbf h ASN 60 CO 0.01 0.99 0.43 0.44 -1.65 0.00 0.00 177.43 177.64 3fbf h ASP 61 N 0.26 0.70 -0.10 5.81 3.32 -1.85 0.34 116.42 124.90 3fbf h ASP 61 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3fbf h ASP 61 Cb 0.83 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3fbf h ASP 61 CO 0.06 0.48 0.06 0.25 -1.72 0.00 0.00 179.24 178.38 3fbf h LEU 62 N 0.84 0.12 -0.36 1.55 5.85 -1.23 -0.03 115.31 122.05 3fbf h LEU 62 Ca 0.28 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3fbf h LEU 62 Cb 0.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3fbf h LEU 62 CO -0.11 0.11 0.22 0.00 -0.34 0.00 0.00 178.44 178.32 3fbf h ASP 64 N 0.47 -0.59 -0.46 0.00 5.19 -0.72 -2.42 116.42 117.90 3fbf h ASP 64 Ca 0.13 0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 3fbf h ASP 64 Cb -0.02 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 3fbf h ASP 64 CO -0.03 -0.21 0.10 0.15 -3.12 0.00 0.00 179.24 176.13 3fbf h PHE 65 N -0.11 0.79 0.00 4.55 3.04 -0.60 -2.27 116.94 122.33 3fbf h PHE 65 Ca 0.18 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3fbf h PHE 65 Cb 0.39 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.68 3fbf h PHE 65 CO -0.39 0.73 0.00 -1.33 -2.02 0.00 0.00 178.31 175.30 3fbf n MET 66 N -4.48 0.01 -0.00 1.11 2.81 0.23 -1.58 117.12 115.23 3fbf n MET 66 Ca 0.01 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 3fbf n MET 66 Cb 0.23 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 3fbf n MET 66 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3fbf n VAL 67 N -1.46 0.26 1.29 2.03 3.14 -0.90 -4.64 118.33 118.05 3fbf n VAL 67 Ca 0.01 -0.63 0.05 0.00 -2.96 0.00 0.00 64.34 60.82 3fbf n VAL 67 Cb 0.05 0.88 0.18 0.00 -1.06 0.00 0.00 33.84 33.89 3fbf n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3fbf n SER 68 N -0.10 1.25 0.00 6.55 3.41 -0.61 -4.75 113.62 119.38 3fbf n SER 68 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3fbf n SER 68 Cb 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3fbf n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbf n GLY 69 N 0.92 -0.86 3.71 5.00 0.00 -1.26 -5.06 105.19 107.63 3fbf n GLY 69 Ca 0.10 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 3fbf n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fbf s PRO 70 N -2.00 1.73 0.04 1.61 0.02 -1.10 -4.57 135.00 130.72 3fbf s PRO 70 Ca 0.00 1.67 -0.00 0.00 0.02 0.00 0.00 61.00 62.69 3fbf s PRO 70 Cb 0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.69 3fbf s PRO 70 CO 0.00 -2.13 -0.03 0.96 -0.33 0.00 0.00 177.00 175.47 3fbf s ILE 71 N -2.25 0.21 -0.13 2.83 -4.36 -0.16 -2.91 121.20 114.43 3fbf s ILE 71 Ca 0.71 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 59.66 3fbf s ILE 71 Cb -0.27 -1.01 -0.01 0.00 1.25 0.00 0.00 42.46 42.42 3fbf s ILE 71 CO 0.50 -0.78 -0.16 -0.63 0.24 0.00 0.00 174.94 174.12 3fbf s ILE 72 N -2.87 2.80 -0.17 8.37 1.01 -0.89 -0.88 121.20 128.57 3fbf s ILE 72 Ca -0.02 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 3fbf s ILE 72 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3fbf s ILE 72 CO -0.06 0.53 0.06 -0.94 0.00 0.00 0.00 174.94 174.54 3fbf s SER 73 N 0.39 5.66 -0.03 3.58 1.04 -0.43 0.22 113.70 124.13 3fbf s SER 73 Ca -0.12 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.44 3fbf s SER 73 Cb -0.16 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.03 3fbf s SER 73 CO 0.06 0.21 -0.07 -0.63 0.98 0.00 0.00 173.24 173.78 3fbf s ILE 74 N 0.17 0.68 -0.26 -1.02 1.01 0.17 -0.83 121.20 121.13 3fbf s ILE 74 Ca 0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 3fbf s ILE 74 Cb -0.12 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 3fbf s ILE 74 CO 0.00 0.23 0.15 -0.69 0.00 0.00 0.00 174.94 174.64 3fbf s VAL 75 N 0.48 5.12 0.07 2.92 1.01 -0.20 0.15 120.40 129.95 3fbf s VAL 75 Ca -0.07 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3fbf s VAL 75 Cb -0.11 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3fbf s VAL 75 CO 0.01 0.31 -0.07 -0.31 0.00 0.00 0.00 175.10 175.04 3fbf s TYR 76 N 1.43 2.84 0.02 5.22 1.51 -0.18 -0.25 117.35 127.95 3fbf s TYR 76 Ca 0.07 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 3fbf s TYR 76 Cb -0.15 -1.51 -0.02 0.00 -0.11 0.00 0.00 41.96 40.17 3fbf s TYR 76 CO 0.07 0.42 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.82 3fbf s GLU 77 N -2.00 0.82 0.00 -0.62 2.12 0.18 -0.75 118.70 118.45 3fbf s GLU 77 Ca 0.21 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.92 3fbf s GLU 77 Cb -0.11 -0.79 0.00 0.00 0.26 0.00 0.00 34.13 33.49 3fbf s GLU 77 CO 0.13 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 3fbf n GLY 78 N 2.15 2.09 3.68 -1.50 0.00 -0.73 -1.59 105.19 109.28 3fbf n GLY 78 Ca -0.17 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3fbf n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fbf n THR 79 N -0.89 0.57 -3.45 2.61 -1.04 -1.26 -1.94 114.28 108.88 3fbf n THR 79 Ca 0.00 -0.10 -0.22 0.00 -2.04 0.00 0.00 64.05 61.69 3fbf n THR 79 Cb 0.00 -2.23 0.07 0.00 -1.82 0.00 0.00 70.33 66.35 3fbf n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3fbf n ASP 80 N 6.60 -6.04 -0.07 8.00 4.64 0.20 -4.90 116.55 124.97 3fbf n ASP 80 Ca 0.19 -0.47 -0.10 0.00 -1.38 0.00 0.00 54.79 53.03 3fbf n ASP 80 Cb 0.39 -4.69 -0.03 0.00 -1.04 0.00 0.00 41.12 35.75 3fbf n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fbf h ALA 81 N 0.94 0.32 0.50 -1.67 0.00 -1.71 -1.60 119.26 116.04 3fbf h ALA 81 Ca -0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3fbf h ALA 81 Cb 1.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3fbf h ALA 81 CO 0.52 -0.10 -0.34 0.82 0.00 0.00 0.00 179.25 180.14 3fbf h ILE 82 N 0.25 0.30 -0.62 0.00 2.04 -1.88 -0.23 117.51 117.38 3fbf h ILE 82 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 3fbf h ILE 82 Cb 0.15 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3fbf h ILE 82 CO -0.01 0.00 0.40 -1.28 0.00 0.00 0.00 178.15 177.26 3fbf h SER 83 N -0.81 0.67 0.01 1.72 0.87 -1.88 -2.52 113.55 111.62 3fbf h SER 83 Ca -0.05 -0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.26 3fbf h SER 83 Cb 0.68 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3fbf h SER 83 CO 0.03 0.48 -0.90 0.11 -0.53 0.00 0.00 176.83 176.02 3fbf h LYS 84 N 0.80 0.67 0.00 2.24 1.79 -1.04 -2.35 116.57 118.68 3fbf h LYS 84 Ca 0.24 -0.64 -0.05 0.00 -2.18 0.00 0.00 60.65 58.02 3fbf h LYS 84 Cb -0.04 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3fbf h LYS 84 CO -0.07 1.24 -0.22 0.82 -1.08 0.00 0.00 179.45 180.14 3fbf h ILE 85 N 0.42 0.57 -0.33 1.86 2.04 -1.07 -1.23 117.51 119.77 3fbf h ILE 85 Ca -0.09 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3fbf h ILE 85 Cb 1.54 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3fbf h ILE 85 CO 0.18 0.21 -0.08 0.03 0.00 0.00 0.00 178.15 178.49 3fbf h ARG 86 N 0.00 0.64 -0.82 2.37 2.47 -1.19 -0.26 114.38 117.59 3fbf h ARG 86 Ca -0.00 -0.24 -0.02 0.00 -1.26 0.00 0.00 59.98 58.45 3fbf h ARG 86 Cb 0.70 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 3fbf h ARG 86 CO 0.03 0.81 0.42 0.00 0.56 0.00 0.00 179.97 181.79 3fbf h ARG 87 N 0.42 1.16 0.13 0.04 3.08 -1.02 -0.45 114.38 117.74 3fbf h ARG 87 Ca 0.08 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3fbf h ARG 87 Cb 0.57 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3fbf h ARG 87 CO 0.03 0.88 -0.09 1.25 -1.07 0.00 0.00 179.97 180.97 3fbf h LEU 88 N 1.15 -0.23 -0.22 3.04 5.85 -1.11 -2.72 115.31 121.07 3fbf h LEU 88 Ca 0.28 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.08 3fbf h LEU 88 Cb 0.08 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 3fbf h LEU 88 CO -0.04 -0.15 -0.35 -0.61 -0.34 0.00 0.00 178.44 176.95 3fbf h GLN 89 N -0.23 -0.36 0.00 1.25 4.15 -0.84 -0.84 115.11 118.25 3fbf h GLN 89 Ca -0.01 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3fbf h GLN 89 Cb 0.20 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3fbf h GLN 89 CO 0.00 -0.24 0.00 0.41 -1.93 0.00 0.00 178.83 177.07 3fbf n GLY 90 N -1.42 1.20 3.35 2.39 0.00 -0.20 -1.44 105.19 109.09 3fbf n GLY 90 Ca -0.02 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 3fbf n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbf s ASN 91 N -4.00 -0.02 0.00 1.61 2.20 -1.26 -4.84 114.94 108.64 3fbf s ASN 91 Ca 0.00 -0.75 0.18 0.00 -0.94 0.00 0.00 52.86 51.35 3fbf s ASN 91 Cb 0.00 0.45 0.96 0.00 -2.00 0.00 0.00 41.25 40.66 3fbf s ASN 91 CO 0.00 -0.90 1.50 2.30 -2.94 0.00 0.00 177.10 177.06 3fbf n ILE 92 N -0.22 0.29 -0.01 0.54 -5.35 -1.26 -2.29 119.36 111.06 3fbf n ILE 92 Ca -0.09 0.07 -0.22 0.00 -0.27 0.00 0.00 62.75 62.24 3fbf n ILE 92 Cb 0.63 -0.79 -0.14 0.00 -1.74 0.00 0.00 39.64 37.61 3fbf n ILE 92 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3fbf h LEU 93 N 0.00 0.35 -8.62 7.28 3.38 -1.88 -3.44 115.31 112.39 3fbf h LEU 93 Ca 0.00 -0.86 -0.67 0.00 0.09 0.00 0.00 57.88 56.44 3fbf h LEU 93 Cb 0.10 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 40.52 3fbf h LEU 93 CO 0.00 1.76 -0.53 -0.89 0.09 0.00 0.00 178.44 178.87 3fbf s THR 94 N -2.51 4.81 0.92 0.22 2.01 -1.17 -5.00 115.64 114.92 3fbf s THR 94 Ca -0.23 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 3fbf s THR 94 Cb 0.06 -3.45 0.15 0.00 0.01 0.00 0.00 72.50 69.27 3fbf s THR 94 CO 0.74 0.05 1.13 -2.84 -0.69 0.00 0.00 174.62 173.01 3fbf s PRO 95 N 1.65 0.95 0.00 4.92 0.02 -1.26 -3.79 135.00 137.49 3fbf s PRO 95 Ca 0.05 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.51 3fbf s PRO 95 Cb -0.17 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3fbf s PRO 95 CO 0.08 -2.64 0.00 0.41 -0.33 0.00 0.00 177.00 174.51 3fbf n GLY 96 N 0.11 2.87 3.86 0.52 0.00 -1.26 -4.94 105.19 106.35 3fbf n GLY 96 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3fbf n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbf s THR 97 N -2.81 3.10 0.09 2.61 -4.23 -1.25 -4.95 115.64 108.20 3fbf s THR 97 Ca 0.00 -1.36 -0.35 0.00 -1.18 0.00 0.00 61.69 58.79 3fbf s THR 97 Cb 0.00 -3.09 -0.16 0.00 1.34 0.00 0.00 72.50 70.59 3fbf s THR 97 CO 0.00 -0.09 1.57 0.40 -0.54 0.00 0.00 174.62 175.96 3fbf h ILE 98 N 1.15 0.03 -0.56 2.99 2.04 -1.24 0.52 117.51 122.44 3fbf h ILE 98 Ca -0.43 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 3fbf h ILE 98 Cb 1.26 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3fbf h ILE 98 CO 0.58 0.00 0.14 0.03 0.00 0.00 0.00 178.15 178.90 3fbf h ARG 99 N -0.95 0.87 0.00 2.37 3.08 -1.46 -1.28 114.38 117.00 3fbf h ARG 99 Ca -0.05 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 3fbf h ARG 99 Cb 0.85 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3fbf h ARG 99 CO -0.10 0.78 -0.21 0.78 -1.07 0.00 0.00 179.97 180.15 3fbf h GLY 100 N 0.99 0.00 0.00 0.04 0.00 -1.15 -1.75 103.07 101.19 3fbf h GLY 100 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.21 3fbf h GLY 100 CO -0.00 0.00 -2.32 1.22 0.00 0.00 0.00 176.54 175.44 3fbf n ASP 101 N -4.24 0.00 0.00 0.19 8.00 0.15 -4.13 116.55 116.52 3fbf n ASP 101 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3fbf n ASP 101 Cb 0.27 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.56 3fbf n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fbf n LEU 102 N -2.66 0.12 -4.48 0.64 4.77 -0.50 -5.07 117.00 109.83 3fbf n LEU 102 Ca -0.28 -0.36 -0.26 0.00 -0.03 0.00 0.00 56.01 55.08 3fbf n LEU 102 Cb 1.05 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.03 3fbf n LEU 102 CO 0.44 0.03 -0.48 0.00 -1.33 0.00 0.00 177.39 176.04 3fbf s ALA 103 N -0.48 2.71 0.00 -1.18 0.00 -0.66 -5.01 121.76 117.14 3fbf s ALA 103 Ca 0.00 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.34 3fbf s ALA 103 Cb 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.73 3fbf s ALA 103 CO 0.00 0.40 0.83 -1.71 0.00 0.00 0.00 175.76 175.28 3fbf n ASN 104 N -0.02 0.01 -4.12 0.00 5.15 -1.26 -4.76 115.26 110.25 3fbf n ASN 104 Ca -0.10 -1.62 -0.16 0.00 -0.60 0.00 0.00 54.58 52.10 3fbf n ASN 104 Cb 0.57 -0.09 -0.12 0.00 -0.53 0.00 0.00 39.78 39.62 3fbf n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fbf s ASP 105 N -0.72 1.29 0.24 1.20 -1.08 -1.25 -5.03 116.67 111.32 3fbf s ASP 105 Ca 0.04 -0.60 0.12 0.00 -0.52 0.00 0.00 52.55 51.58 3fbf s ASP 105 Cb 0.04 -0.01 0.16 0.00 -1.46 0.00 0.00 42.92 41.66 3fbf s ASP 105 CO -0.02 -0.15 1.49 -0.29 0.52 0.00 0.00 175.17 176.72 3fbf h ILE 106 N 4.34 1.33 0.00 4.11 2.10 -2.02 -3.36 117.51 124.00 3fbf h ILE 106 Ca -0.38 -2.49 -0.39 0.00 1.08 0.00 0.00 64.86 62.68 3fbf h ILE 106 Cb 1.20 2.41 -0.06 0.00 -1.09 0.00 0.00 36.82 39.27 3fbf h ILE 106 CO 0.41 0.67 -2.15 -1.14 -1.08 0.00 0.00 178.15 174.87 3fbf n ARG 107 N -3.48 0.58 -2.93 2.19 0.63 -1.26 -4.80 116.66 107.60 3fbf n ARG 107 Ca 0.00 0.36 -0.44 0.00 -0.92 0.00 0.00 57.85 56.85 3fbf n ARG 107 Cb 0.73 -1.57 -0.02 0.00 0.45 0.00 0.00 32.46 32.05 3fbf n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3fbf s GLU 108 N -2.46 3.66 -0.08 -0.14 2.02 -1.26 -4.76 118.70 115.68 3fbf s GLU 108 Ca -0.36 -1.86 0.12 0.00 0.02 0.00 0.00 54.97 52.89 3fbf s GLU 108 Cb 0.12 -4.94 0.20 0.00 0.10 0.00 0.00 34.13 29.62 3fbf s GLU 108 CO 0.52 -1.77 1.10 0.27 0.02 0.00 0.00 175.26 175.40 3fbf n ASN 109 N 6.45 1.27 0.00 -0.19 0.23 -1.26 -3.83 115.26 117.92 3fbf n ASN 109 Ca 0.26 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.65 3fbf n ASN 109 Cb 0.48 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3fbf n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3fbf n LEU 110 N -0.69 0.00 -3.82 -4.53 4.77 -1.26 -4.77 117.00 106.70 3fbf n LEU 110 Ca 0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3fbf n LEU 110 Cb 0.71 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 3fbf n LEU 110 CO -0.00 0.00 -0.13 -0.51 -1.33 0.00 0.00 177.39 175.41 3fbf s ILE 111 N 0.00 0.03 -0.05 -0.08 2.07 -1.26 -0.55 121.20 121.35 3fbf s ILE 111 Ca 0.00 -0.21 0.04 0.00 -1.41 0.00 0.00 60.65 59.07 3fbf s ILE 111 Cb 0.00 -0.35 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 3fbf s ILE 111 CO 0.00 -0.11 -0.16 -2.28 -1.91 0.00 0.00 174.94 170.48 3fbf s HIS 112 N -0.37 2.66 -0.02 3.50 5.65 0.15 -4.97 115.29 121.90 3fbf s HIS 112 Ca -0.05 -0.23 0.01 0.00 0.25 0.00 0.00 55.06 55.05 3fbf s HIS 112 Cb -0.03 -1.63 0.01 0.00 -1.18 0.00 0.00 32.58 29.75 3fbf s HIS 112 CO 0.01 0.13 -0.02 0.00 -0.65 0.00 0.00 174.74 174.21 3fbf s ALA 113 N -0.65 0.33 0.56 1.58 0.00 -1.26 -0.93 121.76 121.39 3fbf s ALA 113 Ca 0.10 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 3fbf s ALA 113 Cb -0.11 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 3fbf s ALA 113 CO 0.01 0.01 0.90 0.43 0.00 0.00 0.00 175.76 177.11 3fbf n SER 114 N 3.55 0.58 -0.44 0.00 7.64 -1.01 -4.93 113.62 119.01 3fbf n SER 114 Ca -0.20 0.84 0.05 0.00 1.01 0.00 0.00 58.87 60.58 3fbf n SER 114 Cb 0.55 -1.35 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 3fbf n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fbf n ASP 115 N -0.30 1.97 -3.68 6.43 5.75 -1.26 -4.70 116.55 120.76 3fbf n ASP 115 Ca 0.12 -1.49 -0.09 0.00 -0.01 0.00 0.00 54.79 53.32 3fbf n ASP 115 Cb 0.46 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 3fbf n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fbf s SER 116 N -0.89 -0.38 0.34 -1.12 1.04 -1.26 -4.95 113.70 106.48 3fbf s SER 116 Ca 0.13 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.21 3fbf s SER 116 Cb 0.09 0.66 0.59 0.00 0.10 0.00 0.00 66.02 67.46 3fbf s SER 116 CO 0.13 -1.17 2.00 -0.33 0.98 0.00 0.00 173.24 174.84 3fbf h GLU 117 N 2.02 0.88 0.00 4.02 5.08 -1.99 -2.23 114.58 122.38 3fbf h GLU 117 Ca -0.26 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3fbf h GLU 117 Cb 1.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3fbf h GLU 117 CO 0.30 0.59 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.35 3fbf h ASP 118 N 0.91 0.09 -0.10 1.42 3.32 -2.00 -2.98 116.42 117.08 3fbf h ASP 118 Ca 0.24 -0.83 0.03 0.00 0.02 0.00 0.00 57.03 56.50 3fbf h ASP 118 Cb -0.09 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3fbf h ASP 118 CO -0.05 0.91 0.08 0.77 -1.72 0.00 0.00 179.24 179.23 3fbf h SER 119 N -0.71 0.00 -0.02 6.45 4.64 -1.95 -0.93 113.55 121.02 3fbf h SER 119 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3fbf h SER 119 Cb 0.93 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3fbf h SER 119 CO 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.95 3fbf h ALA 120 N 1.93 0.03 -0.35 5.18 0.00 -1.43 0.12 119.26 124.74 3fbf h ALA 120 Ca 0.05 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3fbf h ALA 120 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3fbf h ALA 120 CO -0.00 -0.17 0.14 0.28 0.00 0.00 0.00 179.25 179.50 3fbf h VAL 121 N -0.45 0.93 0.65 0.00 2.07 -1.24 -0.38 116.25 117.82 3fbf h VAL 121 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3fbf h VAL 121 Cb 0.58 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3fbf h VAL 121 CO 0.01 0.06 -0.49 -0.78 0.02 0.00 0.00 177.57 176.38 3fbf h ASP 122 N 0.30 -1.29 -0.33 0.57 1.82 -1.20 -2.40 116.42 113.90 3fbf h ASP 122 Ca 0.16 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.88 3fbf h ASP 122 Cb 0.11 0.40 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 3fbf h ASP 122 CO -0.14 -0.70 0.20 -0.33 -1.61 0.00 0.00 179.24 176.66 3fbf h GLU 123 N -1.09 0.46 -0.20 0.28 5.08 -0.60 -0.82 114.58 117.70 3fbf h GLU 123 Ca -0.08 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3fbf h GLU 123 Cb 0.91 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3fbf h GLU 123 CO 0.03 0.33 -0.26 0.82 -1.00 0.00 0.00 179.01 178.93 3fbf h ILE 124 N 0.47 1.26 0.01 3.13 2.04 -0.98 -2.78 117.51 120.67 3fbf h ILE 124 Ca 0.13 -1.22 -0.20 0.00 1.00 0.00 0.00 64.86 64.56 3fbf h ILE 124 Cb -0.01 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3fbf h ILE 124 CO -0.02 0.38 -0.92 0.77 0.00 0.00 0.00 178.15 178.36 3fbf h SER 125 N 0.33 0.21 0.07 1.72 4.64 -0.66 0.27 113.55 120.13 3fbf h SER 125 Ca 0.05 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3fbf h SER 125 Cb 0.63 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3fbf h SER 125 CO 0.05 1.02 -0.03 0.40 -0.87 0.00 0.00 176.83 177.39 3fbf h ILE 126 N 0.08 0.95 0.00 0.95 2.04 -1.20 -2.85 117.51 117.49 3fbf h ILE 126 Ca -0.04 -0.06 -0.20 0.00 1.00 0.00 0.00 64.86 65.56 3fbf h ILE 126 Cb 1.57 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 3fbf h ILE 126 CO 0.14 0.02 -1.28 -0.50 0.00 0.00 0.00 178.15 176.52 3fbf h TRP 127 N -0.12 0.00 -2.16 1.37 4.06 -1.55 -3.39 115.95 114.16 3fbf h TRP 127 Ca -0.01 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.36 3fbf h TRP 127 Cb 0.10 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 27.85 3fbf h TRP 127 CO -0.07 0.74 -0.87 1.19 -3.56 0.00 0.00 178.44 175.88 3fbf n PHE 128 N -3.05 1.40 0.32 0.49 3.72 0.08 -4.94 117.46 115.47 3fbf n PHE 128 Ca -0.08 -3.82 0.20 0.00 -0.05 0.00 0.00 57.45 53.69 3fbf n PHE 128 Cb 0.89 -0.41 1.04 0.00 -0.94 0.00 0.00 39.48 40.06 3fbf n PHE 128 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3fbf h PRO 129 N 4.25 0.00 -0.47 -1.08 0.11 -1.67 -3.18 132.00 129.96 3fbf h PRO 129 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3fbf h PRO 129 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3fbf h PRO 129 CO 0.62 0.01 0.00 -1.91 -0.21 0.00 0.00 178.00 176.51 3fbf n GLU 130 N -3.25 0.36 0.00 1.05 4.07 -1.26 -5.01 120.64 116.60 3fbf n GLU 130 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 3fbf n GLU 130 Cb 0.13 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.32 3fbf n GLU 130 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48