#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbf s GLN 2 N 0.00 1.30 0.07 1.96 -0.21 -0.15 -4.85 119.66 117.78 3fbf s GLN 2 Ca 0.00 -1.68 0.07 0.00 0.02 0.00 0.00 55.36 53.77 3fbf s GLN 2 Cb 0.00 -0.29 -0.04 0.00 1.00 0.00 0.00 33.01 33.69 3fbf s GLN 2 CO 0.00 -0.22 -0.13 1.03 -2.12 0.00 0.00 175.29 173.85 3fbf s ARG 3 N -3.98 2.14 0.02 2.91 1.81 -1.26 -2.07 118.95 118.52 3fbf s ARG 3 Ca 0.32 -0.98 -0.08 0.00 -1.72 0.00 0.00 55.73 53.28 3fbf s ARG 3 Cb 0.07 -2.28 -0.00 0.00 -0.45 0.00 0.00 34.95 32.29 3fbf s ARG 3 CO 0.10 0.53 0.15 -0.08 -0.68 0.00 0.00 175.30 175.32 3fbf s THR 4 N -1.08 0.10 -0.13 0.02 -1.32 0.06 -4.63 115.64 108.66 3fbf s THR 4 Ca 0.18 -0.86 -0.06 0.00 -1.21 0.00 0.00 61.69 59.74 3fbf s THR 4 Cb -0.11 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 3fbf s THR 4 CO 0.10 -0.48 0.07 -0.22 -2.21 0.00 0.00 174.62 171.88 3fbf s LEU 5 N -1.82 3.94 -0.04 9.08 2.96 -1.26 -1.00 118.68 130.55 3fbf s LEU 5 Ca -0.09 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3fbf s LEU 5 Cb -0.04 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.70 3fbf s LEU 5 CO -0.02 0.31 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.50 3fbf s VAL 6 N -0.44 1.12 -0.03 1.68 1.01 0.15 -1.98 120.40 121.90 3fbf s VAL 6 Ca 0.10 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3fbf s VAL 6 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3fbf s VAL 6 CO 0.02 0.34 -0.10 -0.76 0.00 0.00 0.00 175.10 174.59 3fbf s LEU 7 N 0.23 2.97 -0.32 3.92 1.43 -0.35 -0.82 118.68 125.74 3fbf s LEU 7 Ca -0.06 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3fbf s LEU 7 Cb -0.11 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.48 3fbf s LEU 7 CO 0.02 0.33 0.09 -0.63 0.23 0.00 0.00 176.35 176.39 3fbf s ILE 8 N -0.84 3.82 0.79 -0.59 1.01 0.34 -1.42 121.20 124.31 3fbf s ILE 8 Ca 0.13 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 3fbf s ILE 8 Cb -0.11 -3.10 0.06 0.00 0.01 0.00 0.00 42.46 39.33 3fbf s ILE 8 CO 0.03 -0.09 1.11 -0.54 0.00 0.00 0.00 174.94 175.45 3fbf s LYS 9 N 1.43 2.15 0.61 2.79 1.02 -0.42 -2.05 119.74 125.27 3fbf s LYS 9 Ca -0.00 0.49 0.38 0.00 0.02 0.00 0.00 55.97 56.85 3fbf s LYS 9 Cb -0.19 -1.94 1.95 0.00 -0.52 0.00 0.00 37.83 37.14 3fbf s LYS 9 CO 0.03 -1.54 2.22 -1.35 -0.92 0.00 0.00 175.35 173.78 3fbf h PRO 10 N -1.02 0.00 -0.16 -1.68 0.11 -1.82 -1.95 132.00 125.47 3fbf h PRO 10 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3fbf h PRO 10 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3fbf h PRO 10 CO 0.62 0.02 -0.30 0.38 -0.21 0.00 0.00 178.00 178.51 3fbf h ASP 11 N 0.00 0.31 -0.97 -2.05 2.03 -1.91 -1.72 116.42 112.11 3fbf h ASP 11 Ca -0.00 -0.11 0.02 0.00 -0.73 0.00 0.00 57.03 56.22 3fbf h ASP 11 Cb 0.18 -0.09 -0.05 0.00 -0.83 0.00 0.00 39.33 38.55 3fbf h ASP 11 CO 0.00 0.61 0.64 0.00 -1.03 0.00 0.00 179.24 179.46 3fbf h ALA 12 N 1.42 1.34 -0.13 4.15 0.00 -1.61 0.30 119.26 124.73 3fbf h ALA 12 Ca 0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3fbf h ALA 12 Cb 0.67 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3fbf h ALA 12 CO 0.05 0.58 -0.71 0.74 0.00 0.00 0.00 179.25 179.91 3fbf h PHE 13 N 1.27 0.75 -0.53 0.00 -1.00 -1.54 0.20 116.94 116.08 3fbf h PHE 13 Ca 0.37 -0.32 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 3fbf h PHE 13 Cb -0.07 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 3fbf h PHE 13 CO -0.00 1.10 0.03 1.49 -1.61 0.00 0.00 178.31 179.32 3fbf h GLU 14 N 0.39 0.91 -0.34 1.51 4.22 -0.96 -3.04 114.58 117.28 3fbf h GLU 14 Ca -0.03 -0.27 0.00 0.00 0.08 0.00 0.00 59.36 59.14 3fbf h GLU 14 Cb 1.30 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3fbf h GLU 14 CO 0.13 0.92 0.00 0.54 -2.18 0.00 0.00 179.01 178.42 3fbf n ARG 15 N -4.32 2.26 -3.60 1.92 1.74 0.06 -4.97 116.66 109.76 3fbf n ARG 15 Ca 0.02 -1.91 -0.23 0.00 -0.77 0.00 0.00 57.85 54.95 3fbf n ARG 15 Cb 0.30 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.12 -4.85 -0.65 0.55 7.64 -0.20 -4.91 113.62 112.31 3fbf n SER 16 Ca 0.18 -0.60 0.07 0.00 1.01 0.00 0.00 58.87 59.53 3fbf n SER 16 Cb 0.51 -4.88 0.19 0.00 -1.01 0.00 0.00 64.21 59.02 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 -4.72 3.26 0.22 -3.43 4.77 0.53 -4.72 117.00 112.91 3fbf n LEU 17 Ca -0.08 -2.60 -0.15 0.00 -0.03 0.00 0.00 56.01 53.14 3fbf n LEU 17 Cb 0.59 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3fbf n LEU 17 CO 0.65 0.68 0.65 0.58 -1.33 0.00 0.00 177.39 178.62 3fbf h VAL 18 N 1.55 0.32 -0.51 4.08 2.07 -1.91 -1.37 116.25 120.48 3fbf h VAL 18 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3fbf h VAL 18 Cb 1.09 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3fbf h VAL 18 CO 0.11 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.54 3fbf h ALA 19 N -0.20 0.76 -0.42 1.67 0.00 -1.94 -0.24 119.26 118.88 3fbf h ALA 19 Ca -0.02 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.60 3fbf h ALA 19 Cb 0.63 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 3fbf h ALA 19 CO -0.05 0.67 -0.11 1.49 0.00 0.00 0.00 179.25 181.25 3fbf h GLU 20 N 0.87 -0.01 0.01 0.00 4.57 -1.84 0.70 114.58 118.88 3fbf h GLU 20 Ca 0.13 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3fbf h GLU 20 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3fbf h GLU 20 CO 0.06 -0.00 -0.00 0.82 -1.18 0.00 0.00 179.01 178.70 3fbf h ILE 21 N -0.01 1.19 -0.65 2.32 2.04 -1.02 -2.42 117.51 118.97 3fbf h ILE 21 Ca 0.20 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 3fbf h ILE 21 Cb 0.31 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3fbf h ILE 21 CO -0.44 0.16 0.21 0.24 0.00 0.00 0.00 178.15 178.32 3fbf h MET 22 N -0.27 0.99 0.00 2.37 2.86 -0.82 -2.63 114.93 117.43 3fbf h MET 22 Ca -0.00 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 3fbf h MET 22 Cb 0.27 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3fbf h MET 22 CO 0.00 0.85 -0.20 0.78 1.06 0.00 0.00 176.91 179.40 3fbf h GLY 23 N 1.05 0.00 1.59 8.32 0.00 0.48 -0.48 103.07 114.02 3fbf h GLY 23 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 3fbf h GLY 23 CO -0.01 0.00 -0.68 3.21 0.00 0.00 0.00 176.54 179.06 3fbf h ARG 24 N 0.00 0.41 -0.21 4.80 3.08 -1.06 -1.68 114.38 119.73 3fbf h ARG 24 Ca -0.00 -0.31 -0.20 0.00 0.07 0.00 0.00 59.98 59.53 3fbf h ARG 24 Cb 0.38 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.49 3fbf h ARG 24 CO 0.03 0.94 -0.66 0.82 -1.07 0.00 0.00 179.97 180.02 3fbf h ILE 25 N 0.29 1.28 -0.81 2.04 2.04 -1.37 -3.11 117.51 117.88 3fbf h ILE 25 Ca -0.02 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 3fbf h ILE 25 Cb 1.24 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 3fbf h ILE 25 CO 0.12 0.60 0.47 -0.08 0.00 0.00 0.00 178.15 179.25 3fbf h GLU 26 N 0.58 1.11 0.00 2.37 4.81 -1.03 -2.77 114.58 119.65 3fbf h GLU 26 Ca -0.02 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3fbf h GLU 26 Cb 1.29 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3fbf h GLU 26 CO 0.14 0.79 -0.28 0.87 -0.73 0.00 0.00 179.01 179.80 3fbf h LYS 27 N 1.13 0.00 -0.21 1.92 1.57 -1.27 -0.94 116.57 118.76 3fbf h LYS 27 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3fbf h LYS 27 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3fbf h LYS 27 CO -0.05 0.28 0.00 1.17 -0.57 0.00 0.00 179.45 180.28 3fbf n LYS 28 N -3.36 1.49 -2.06 3.15 4.81 -1.05 -4.91 118.16 116.23 3fbf n LYS 28 Ca 0.01 -0.76 -0.03 0.00 -0.87 0.00 0.00 58.31 56.65 3fbf n LYS 28 Cb 0.50 -1.18 -0.00 0.00 0.02 0.00 0.00 35.03 34.37 3fbf n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3fbf n ASN 29 N 0.11 -1.70 -4.88 3.14 4.05 -0.36 -5.06 115.26 110.57 3fbf n ASN 29 Ca 0.08 -0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.79 3fbf n ASN 29 Cb 0.18 -1.13 -0.05 0.00 1.23 0.00 0.00 39.78 40.02 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 -2.15 3.44 -0.03 1.20 0.40 -1.16 -4.90 117.98 114.80 3fbf s PHE 30 Ca 0.00 0.76 0.06 0.00 -0.60 0.00 0.00 56.93 57.15 3fbf s PHE 30 Cb -0.00 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 3fbf s PHE 30 CO 0.00 0.31 -0.21 0.15 0.70 0.00 0.00 175.22 176.18 3fbf s LYS 31 N -2.81 2.25 -0.46 0.44 -0.14 -0.38 -4.53 119.74 114.11 3fbf s LYS 31 Ca 0.45 -0.85 -0.28 0.00 -1.36 0.00 0.00 55.97 53.93 3fbf s LYS 31 Cb -0.11 -2.18 0.01 0.00 -1.68 0.00 0.00 37.83 33.86 3fbf s LYS 31 CO 0.23 0.58 1.46 0.42 -0.76 0.00 0.00 175.35 177.28 3fbf s ILE 32 N -0.69 3.81 -0.06 2.17 1.01 -1.26 -0.49 121.20 125.69 3fbf s ILE 32 Ca 0.11 0.78 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 3fbf s ILE 32 Cb -0.10 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.05 3fbf s ILE 32 CO 0.00 -0.87 0.58 0.58 0.00 0.00 0.00 174.94 175.24 3fbf h VAL 33 N 6.49 0.37 -4.26 2.92 2.07 -0.93 -3.48 116.25 119.42 3fbf h VAL 33 Ca -0.28 -0.95 -0.16 0.00 0.82 0.00 0.00 66.70 66.14 3fbf h VAL 33 Cb 1.11 0.64 -0.14 0.00 -1.52 0.00 0.00 31.29 31.37 3fbf h VAL 33 CO 1.12 0.10 -0.55 -0.94 0.02 0.00 0.00 177.57 177.32 3fbf s SER 34 N -5.30 0.23 -0.29 0.57 1.04 -1.20 -4.99 113.70 103.77 3fbf s SER 34 Ca -0.08 -1.10 -0.15 0.00 0.48 0.00 0.00 55.95 55.10 3fbf s SER 34 Cb 0.00 0.34 0.10 0.00 0.10 0.00 0.00 66.02 66.56 3fbf s SER 34 CO 0.29 -0.77 0.74 -0.32 0.98 0.00 0.00 173.24 174.16 3fbf s MET 35 N -4.02 0.62 -0.05 4.02 0.00 -1.26 -0.30 119.30 118.31 3fbf s MET 35 Ca 0.21 1.15 0.05 0.00 0.00 0.00 0.00 55.69 57.10 3fbf s MET 35 Cb 0.06 0.25 -0.01 0.00 0.00 0.00 0.00 34.83 35.14 3fbf s MET 35 CO 0.01 -0.14 -0.20 0.15 0.00 0.00 0.00 175.02 174.84 3fbf s LYS 36 N 1.81 2.01 -0.38 4.11 1.02 0.24 -4.99 119.74 123.56 3fbf s LYS 36 Ca -0.09 -0.70 -0.10 0.00 0.02 0.00 0.00 55.97 55.10 3fbf s LYS 36 Cb -0.06 -1.74 0.05 0.00 -0.52 0.00 0.00 37.83 35.56 3fbf s LYS 36 CO -0.19 0.29 0.21 0.12 -0.92 0.00 0.00 175.35 174.86 3fbf s PHE 37 N -0.05 3.27 -0.40 3.18 5.36 -1.26 -0.74 117.98 127.34 3fbf s PHE 37 Ca -0.03 -1.21 -0.16 0.00 -0.96 0.00 0.00 56.93 54.56 3fbf s PHE 37 Cb -0.12 -2.57 0.01 0.00 -0.34 0.00 0.00 43.02 40.00 3fbf s PHE 37 CO 0.03 -0.73 0.40 -1.58 -1.46 0.00 0.00 175.22 171.88 3fbf s TRP 38 N 1.49 3.19 0.51 10.12 0.52 -0.21 -4.92 118.94 129.65 3fbf s TRP 38 Ca 0.02 -0.32 0.33 0.00 0.02 0.00 0.00 56.10 56.14 3fbf s TRP 38 Cb -0.20 -2.79 1.83 0.00 -1.15 0.00 0.00 33.47 31.15 3fbf s TRP 38 CO 0.05 -0.62 2.21 0.66 0.02 0.00 0.00 176.95 179.27 3fbf h SER 39 N 8.65 0.00 -1.38 2.95 4.64 -1.92 0.12 113.55 126.62 3fbf h SER 39 Ca -0.27 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.14 3fbf h SER 39 Cb 1.12 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.00 3fbf h SER 39 CO 0.76 0.04 -0.21 -0.75 -0.87 0.00 0.00 176.83 175.80 3fbf s LYS 40 N -4.29 0.57 -0.08 4.77 2.20 -1.26 -2.97 119.74 118.69 3fbf s LYS 40 Ca -0.04 1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 56.45 3fbf s LYS 40 Cb 0.13 0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 37.09 3fbf s LYS 40 CO 0.52 -0.45 1.37 0.00 -0.36 0.00 0.00 175.35 176.44 3fbf s ALA 41 N 2.87 3.60 0.07 3.13 0.00 -1.26 -4.95 121.76 125.22 3fbf s ALA 41 Ca 0.10 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.49 3fbf s ALA 41 Cb -0.14 -3.62 -0.15 0.00 0.00 0.00 0.00 23.12 19.21 3fbf s ALA 41 CO -0.20 -1.08 0.67 -2.30 0.00 0.00 0.00 175.76 172.85 3fbf n PRO 42 N 6.13 0.00 0.18 0.00 -0.02 -1.26 -4.83 135.00 135.19 3fbf n PRO 42 Ca 0.14 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 3fbf n PRO 42 Cb 0.44 -1.03 0.32 0.00 -0.02 0.00 0.00 33.50 33.22 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 1.71 0.00 -0.15 -0.52 2.43 -1.99 -2.95 114.38 112.91 3fbf h ARG 43 Ca -0.33 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 3fbf h ARG 43 Cb 1.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3fbf h ARG 43 CO 0.49 0.43 -0.45 -2.95 -1.51 0.00 0.00 179.97 175.97 3fbf h ASN 44 N 0.00 0.40 -0.06 -3.80 -1.07 -1.99 0.59 115.58 109.65 3fbf h ASN 44 Ca -0.00 -0.19 0.01 0.00 0.07 0.00 0.00 56.30 56.19 3fbf h ASN 44 Cb 0.84 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.97 3fbf h ASN 44 CO 0.06 0.80 0.00 -0.07 0.07 0.00 0.00 177.43 178.29 3fbf h LEU 45 N 0.30 -0.01 -0.19 6.14 4.07 -1.88 -0.26 115.31 123.48 3fbf h LEU 45 Ca 0.02 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 3fbf h LEU 45 Cb 0.92 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 3fbf h LEU 45 CO 0.08 0.00 0.12 0.40 -1.08 0.00 0.00 178.44 177.96 3fbf h ILE 46 N 0.03 1.08 -0.38 1.22 1.08 -1.43 0.42 117.51 119.53 3fbf h ILE 46 Ca 0.03 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 3fbf h ILE 46 Cb 0.03 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 3fbf h ILE 46 CO -0.04 0.07 0.09 -0.33 -0.69 0.00 0.00 178.15 177.25 3fbf h GLU 47 N 0.23 0.22 0.28 2.37 5.08 -0.72 -1.79 114.58 120.25 3fbf h GLU 47 Ca 0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3fbf h GLU 47 Cb 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3fbf h GLU 47 CO -0.01 0.15 -0.13 1.96 -1.00 0.00 0.00 179.01 179.97 3fbf h GLN 48 N 0.23 -0.36 -0.79 2.33 4.20 -0.90 0.86 115.11 120.68 3fbf h GLN 48 Ca 0.18 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.06 3fbf h GLN 48 Cb 0.19 0.08 -0.15 0.00 0.30 0.00 0.00 27.48 27.91 3fbf h GLN 48 CO -0.22 -0.21 -0.26 1.25 -0.67 0.00 0.00 178.83 178.71 3fbf h HIS 49 N -0.41 -0.65 -0.56 2.96 2.76 -0.43 0.44 115.15 119.26 3fbf h HIS 49 Ca -0.04 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3fbf h HIS 49 Cb 0.31 0.41 0.00 0.00 1.55 0.00 0.00 27.41 29.68 3fbf h HIS 49 CO -0.05 -0.37 0.00 0.66 -1.30 0.00 0.00 177.93 176.87 3fbf n TYR 50 N -5.50 0.88 -0.34 5.26 4.02 -0.72 -4.58 117.16 116.19 3fbf n TYR 50 Ca 0.10 -0.41 0.28 0.00 -0.01 0.00 0.00 57.90 57.86 3fbf n TYR 50 Cb 0.40 -0.06 0.47 0.00 -0.02 0.00 0.00 39.34 40.14 3fbf n TYR 50 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3fbf n LYS 51 N 1.10 -0.02 0.00 -0.72 4.81 0.15 0.11 118.16 123.59 3fbf n LYS 51 Ca 0.20 0.83 0.10 0.00 -0.87 0.00 0.00 58.31 58.57 3fbf n LYS 51 Cb 0.55 -1.68 0.49 0.00 0.02 0.00 0.00 35.03 34.41 3fbf n LYS 51 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3fbf n GLU 52 N -3.94 0.23 0.00 1.64 4.07 -1.26 -2.73 120.64 118.64 3fbf n GLU 52 Ca 0.28 0.11 0.06 0.00 -0.06 0.00 0.00 57.16 57.55 3fbf n GLU 52 Cb 1.10 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.96 3fbf n GLU 52 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3fbf n HIS 53 N -1.33 0.00 0.00 4.31 8.25 0.31 -4.76 115.22 122.00 3fbf n HIS 53 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3fbf n HIS 53 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3fbf n HIS 53 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fbf n SER 54 N -0.61 0.00 -0.13 0.41 3.41 -1.11 -0.19 113.62 115.40 3fbf n SER 54 Ca 0.04 0.16 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 3fbf n SER 54 Cb 0.24 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3fbf n SER 54 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3fbf n GLU 55 N -1.07 2.79 -1.68 4.33 4.07 -1.26 -4.94 120.64 122.88 3fbf n GLU 55 Ca 0.00 -0.40 -0.30 0.00 -0.06 0.00 0.00 57.16 56.40 3fbf n GLU 55 Cb 0.11 -0.97 0.06 0.00 -0.06 0.00 0.00 31.44 30.58 3fbf n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3fbf s GLN 56 N -1.29 2.60 0.29 5.31 -1.52 0.73 -4.98 119.66 120.79 3fbf s GLN 56 Ca 0.06 0.66 0.12 0.00 -1.95 0.00 0.00 55.36 54.25 3fbf s GLN 56 Cb 0.06 -1.97 0.39 0.00 -0.22 0.00 0.00 33.01 31.26 3fbf s GLN 56 CO 0.22 -1.27 1.61 0.66 -0.25 0.00 0.00 175.29 176.27 3fbf h SER 57 N -0.83 0.00 0.35 5.90 4.64 -1.94 -3.03 113.55 118.64 3fbf h SER 57 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3fbf h SER 57 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3fbf h SER 57 CO 0.60 0.58 -0.06 0.00 -0.87 0.00 0.00 176.83 177.08 3fbf n TYR 58 N -3.69 0.00 -0.23 4.77 0.18 -1.26 -4.32 117.16 112.61 3fbf n TYR 58 Ca -0.01 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.79 3fbf n TYR 58 Cb 0.62 -0.18 0.10 0.00 -0.38 0.00 0.00 39.34 39.50 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 0.41 -0.21 -0.13 -3.48 3.04 -1.79 0.37 116.94 115.14 3fbf h PHE 59 Ca 0.00 0.06 -0.17 0.00 3.98 0.00 0.00 57.97 61.84 3fbf h PHE 59 Cb 0.29 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 3fbf h PHE 59 CO 0.00 -0.25 -0.62 -0.91 -2.02 0.00 0.00 178.31 174.51 3fbf h ASN 60 N 0.05 0.52 -0.27 0.41 2.35 -1.84 -2.08 115.58 114.71 3fbf h ASN 60 Ca 0.34 -0.30 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 3fbf h ASN 60 Cb 0.56 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3fbf h ASN 60 CO -0.65 1.01 -0.28 0.44 -1.65 0.00 0.00 177.43 176.31 3fbf h ASP 61 N 0.33 0.72 -0.10 5.81 3.32 -1.52 -2.03 116.42 122.94 3fbf h ASP 61 Ca -0.01 -0.47 0.04 0.00 0.02 0.00 0.00 57.03 56.61 3fbf h ASP 61 Cb 1.17 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 3fbf h ASP 61 CO 0.11 1.04 -0.17 0.25 -1.72 0.00 0.00 179.24 178.76 3fbf h LEU 62 N 0.40 -0.51 -0.60 1.55 5.85 -0.23 -0.32 115.31 121.45 3fbf h LEU 62 Ca 0.04 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 3fbf h LEU 62 Cb 0.84 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3fbf h LEU 62 CO 0.07 -0.22 0.18 0.00 -0.34 0.00 0.00 178.44 178.13 3fbf h ASP 64 N 0.86 0.82 -0.12 0.00 3.32 -1.01 -1.41 116.42 118.88 3fbf h ASP 64 Ca 0.19 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3fbf h ASP 64 Cb 0.30 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3fbf h ASP 64 CO -0.00 0.54 -0.03 0.15 -1.72 0.00 0.00 179.24 178.18 3fbf h PHE 65 N 0.94 0.26 0.00 4.55 3.04 -0.27 -2.87 116.94 122.59 3fbf h PHE 65 Ca 0.35 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.25 3fbf h PHE 65 Cb 0.19 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.63 3fbf h PHE 65 CO -0.00 0.52 0.00 -1.33 -2.02 0.00 0.00 178.31 175.48 3fbf n MET 66 N -4.74 0.06 -0.11 1.11 2.81 -0.27 -1.41 117.12 114.57 3fbf n MET 66 Ca -0.06 0.46 0.04 0.00 -1.81 0.00 0.00 57.70 56.33 3fbf n MET 66 Cb 0.24 -1.65 0.10 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.77 0.99 1.08 2.03 3.14 -0.60 -4.63 118.33 118.58 3fbf n VAL 67 Ca 0.01 -1.00 0.12 0.00 -2.96 0.00 0.00 64.34 60.51 3fbf n VAL 67 Cb 0.08 0.50 0.15 0.00 -1.06 0.00 0.00 33.84 33.51 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 0.14 1.24 -2.78 6.55 3.41 -0.50 -4.79 113.62 116.89 3fbf n SER 68 Ca 0.07 -0.99 -0.09 0.00 -0.26 0.00 0.00 58.87 57.59 3fbf n SER 68 Cb 0.36 0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.75 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 1.42 1.10 3.57 5.00 0.00 -1.26 -5.07 105.19 109.96 3fbf n GLY 69 Ca 0.09 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 3fbf n GLY 69 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fbf n PRO 70 N -0.53 -0.08 -4.16 1.61 -0.02 -1.16 -4.53 135.00 126.13 3fbf n PRO 70 Ca -0.08 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.34 3fbf n PRO 70 Cb 0.58 -2.17 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 3fbf n PRO 70 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fbf s ILE 71 N -2.29 0.59 -0.10 4.25 -4.36 0.42 -3.15 121.20 116.56 3fbf s ILE 71 Ca 0.66 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 59.17 3fbf s ILE 71 Cb -0.26 -1.70 0.00 0.00 1.25 0.00 0.00 42.46 41.75 3fbf s ILE 71 CO 0.58 -0.85 -0.22 -0.63 0.24 0.00 0.00 174.94 174.06 3fbf s ILE 72 N -3.69 1.91 -0.11 8.37 1.01 -0.87 -1.04 121.20 126.77 3fbf s ILE 72 Ca 0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 3fbf s ILE 72 Cb 0.06 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3fbf s ILE 72 CO -0.05 0.53 0.05 -0.94 0.00 0.00 0.00 174.94 174.52 3fbf s SER 73 N 0.42 5.60 -0.06 3.58 1.04 0.08 -0.50 113.70 123.86 3fbf s SER 73 Ca -0.18 0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 3fbf s SER 73 Cb -0.18 -1.70 0.03 0.00 0.10 0.00 0.00 66.02 64.28 3fbf s SER 73 CO 0.08 0.36 0.13 -0.63 0.98 0.00 0.00 173.24 174.16 3fbf s ILE 74 N -0.78 -0.03 -0.31 -1.02 1.01 -0.00 -0.60 121.20 119.47 3fbf s ILE 74 Ca 0.12 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 3fbf s ILE 74 Cb -0.12 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.12 3fbf s ILE 74 CO 0.03 0.05 0.18 -0.69 0.00 0.00 0.00 174.94 174.51 3fbf s VAL 75 N 0.82 4.98 -0.11 2.92 1.01 0.59 -0.68 120.40 129.93 3fbf s VAL 75 Ca -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3fbf s VAL 75 Cb -0.08 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3fbf s VAL 75 CO -0.04 0.12 0.06 -0.31 0.00 0.00 0.00 175.10 174.93 3fbf s TYR 76 N 1.69 3.34 -0.05 5.22 1.51 -0.17 -0.20 117.35 128.68 3fbf s TYR 76 Ca 0.06 0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.48 3fbf s TYR 76 Cb -0.17 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 3fbf s TYR 76 CO 0.09 0.53 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.86 3fbf s GLU 77 N -0.79 2.51 0.00 -0.62 2.12 0.35 -0.76 118.70 121.51 3fbf s GLU 77 Ca 0.13 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.64 3fbf s GLU 77 Cb -0.12 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 32.02 3fbf s GLU 77 CO 0.03 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 3fbf n GLY 78 N 2.66 -0.69 3.68 -1.50 0.00 -0.88 -1.24 105.19 107.22 3fbf n GLY 78 Ca -0.17 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3fbf n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fbf s THR 79 N -2.00 4.03 -1.37 2.61 2.01 -1.26 -0.98 115.64 118.68 3fbf s THR 79 Ca 0.00 1.35 -0.02 0.00 0.31 0.00 0.00 61.69 63.32 3fbf s THR 79 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3fbf s THR 79 CO 0.00 -0.04 0.31 -0.67 -0.69 0.00 0.00 174.62 173.54 3fbf n ASP 80 N 5.70 -5.28 0.12 3.53 4.64 -1.26 -4.89 116.55 119.11 3fbf n ASP 80 Ca 0.13 -0.15 -0.13 0.00 -1.38 0.00 0.00 54.79 53.26 3fbf n ASP 80 Cb 0.45 -4.21 -0.06 0.00 -1.04 0.00 0.00 41.12 36.26 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 0.83 -0.44 -0.11 -1.67 0.00 -1.79 -1.25 119.26 114.82 3fbf h ALA 81 Ca -0.43 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3fbf h ALA 81 Cb 1.31 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 3fbf h ALA 81 CO 0.48 -0.79 -0.37 0.82 0.00 0.00 0.00 179.25 179.39 3fbf h ILE 82 N -0.47 0.00 -0.05 0.00 2.04 -1.89 0.59 117.51 117.73 3fbf h ILE 82 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3fbf h ILE 82 Cb 0.49 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3fbf h ILE 82 CO -0.13 0.00 -0.08 -1.28 0.00 0.00 0.00 178.15 176.66 3fbf h SER 83 N -0.37 -0.24 -0.27 1.72 0.87 -1.85 -2.45 113.55 110.95 3fbf h SER 83 Ca 0.02 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3fbf h SER 83 Cb 0.45 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 3fbf h SER 83 CO -0.31 -0.11 0.01 0.11 -0.53 0.00 0.00 176.83 176.00 3fbf h LYS 84 N -0.12 0.59 -0.27 2.24 1.79 -0.86 -1.65 116.57 118.30 3fbf h LYS 84 Ca 0.05 -0.13 -0.18 0.00 -2.18 0.00 0.00 60.65 58.21 3fbf h LYS 84 Cb 0.18 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3fbf h LYS 84 CO -0.12 0.61 -0.54 0.82 -1.08 0.00 0.00 179.45 179.14 3fbf h ILE 85 N 0.56 1.29 -0.71 1.86 2.04 -0.82 -2.01 117.51 119.71 3fbf h ILE 85 Ca 0.12 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3fbf h ILE 85 Cb 0.35 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3fbf h ILE 85 CO 0.01 0.56 0.45 -0.09 0.00 0.00 0.00 178.15 179.09 3fbf h ARG 86 N 0.61 0.95 -0.69 2.37 1.12 -0.92 0.13 114.38 117.94 3fbf h ARG 86 Ca 0.01 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 58.76 3fbf h ARG 86 Cb 1.13 -0.21 -0.03 0.00 -0.01 0.00 0.00 29.97 30.86 3fbf h ARG 86 CO 0.12 0.65 0.23 0.00 -3.11 0.00 0.00 179.97 177.85 3fbf h ARG 87 N 0.97 1.06 -0.37 0.20 3.08 -1.25 0.10 114.38 118.17 3fbf h ARG 87 Ca 0.26 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3fbf h ARG 87 Cb -0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 3fbf h ARG 87 CO -0.05 0.91 0.22 1.25 -1.07 0.00 0.00 179.97 181.22 3fbf h LEU 88 N 1.00 0.46 -0.31 3.04 5.85 -0.72 -2.53 115.31 122.11 3fbf h LEU 88 Ca 0.22 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3fbf h LEU 88 Cb 0.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3fbf h LEU 88 CO -0.01 0.39 0.07 -0.61 -0.34 0.00 0.00 178.44 177.94 3fbf h GLN 89 N 0.48 0.18 0.00 1.25 4.15 -0.44 0.92 115.11 121.66 3fbf h GLN 89 Ca 0.13 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3fbf h GLN 89 Cb 0.03 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3fbf h GLN 89 CO -0.02 0.12 0.00 0.41 -1.93 0.00 0.00 178.83 177.41 3fbf n GLY 90 N -1.21 1.19 3.23 2.39 0.00 0.32 -1.25 105.19 109.86 3fbf n GLY 90 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 0.45 0.00 1.61 2.20 -1.26 -4.75 114.94 109.19 3fbf s ASN 91 Ca 0.00 -1.45 0.19 0.00 -0.94 0.00 0.00 52.86 50.66 3fbf s ASN 91 Cb 0.00 0.42 1.06 0.00 -2.00 0.00 0.00 41.25 40.73 3fbf s ASN 91 CO 0.00 -0.90 1.54 2.30 -2.94 0.00 0.00 177.10 177.10 3fbf n ILE 92 N -0.35 0.17 0.70 0.54 -5.35 -1.26 -1.25 119.36 112.56 3fbf n ILE 92 Ca 0.03 0.04 0.10 0.00 -0.27 0.00 0.00 62.75 62.66 3fbf n ILE 92 Cb 0.65 -0.74 -0.10 0.00 -1.74 0.00 0.00 39.64 37.71 3fbf n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fbf n LEU 93 N -1.10 0.69 -4.14 7.28 4.77 -1.26 -4.64 117.00 118.59 3fbf n LEU 93 Ca 0.12 -0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.43 3fbf n LEU 93 Cb 0.09 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 3fbf n LEU 93 CO 0.12 0.16 -0.06 -0.89 -1.33 0.00 0.00 177.39 175.39 3fbf s THR 94 N -3.15 3.70 0.75 -5.08 2.01 -0.98 -5.02 115.64 107.86 3fbf s THR 94 Ca 0.04 -2.25 -0.15 0.00 0.31 0.00 0.00 61.69 59.64 3fbf s THR 94 Cb 0.15 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 69.24 3fbf s THR 94 CO 0.86 -0.77 1.21 -2.65 -0.69 0.00 0.00 174.62 172.58 3fbf n PRO 95 N 4.35 0.53 0.00 4.92 -0.02 -1.26 -2.66 135.00 140.85 3fbf n PRO 95 Ca -0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3fbf n PRO 95 Cb 0.40 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3fbf n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fbf n GLY 96 N 0.73 2.51 4.01 -1.23 0.00 -1.26 -4.93 105.19 105.02 3fbf n GLY 96 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.35 2.55 0.01 2.61 -4.23 -1.09 -4.94 115.64 108.19 3fbf s THR 97 Ca 0.00 -0.85 -0.25 0.00 -1.18 0.00 0.00 61.69 59.41 3fbf s THR 97 Cb 0.00 -2.69 -0.18 0.00 1.34 0.00 0.00 72.50 70.97 3fbf s THR 97 CO 0.00 0.00 1.40 0.40 -0.54 0.00 0.00 174.62 175.88 3fbf h ILE 98 N 0.19 1.28 -0.34 2.99 2.04 -0.77 -0.99 117.51 121.90 3fbf h ILE 98 Ca -0.37 -0.84 -0.17 0.00 1.00 0.00 0.00 64.86 64.48 3fbf h ILE 98 Cb 1.28 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3fbf h ILE 98 CO 0.45 0.22 -0.44 0.03 0.00 0.00 0.00 178.15 178.41 3fbf h ARG 99 N -0.31 0.88 0.00 2.37 3.08 -1.41 -1.19 114.38 117.79 3fbf h ARG 99 Ca 0.00 -0.50 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 3fbf h ARG 99 Cb 0.36 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3fbf h ARG 99 CO 0.00 1.14 -0.18 0.78 -1.07 0.00 0.00 179.97 180.64 3fbf h GLY 100 N 0.78 0.00 0.55 0.04 0.00 -1.17 -0.30 103.07 102.98 3fbf h GLY 100 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.12 3fbf h GLY 100 CO 0.10 0.00 -1.89 1.22 0.00 0.00 0.00 176.54 175.97 3fbf n ASP 101 N -4.24 0.48 0.00 0.19 8.00 -0.38 -4.31 116.55 116.29 3fbf n ASP 101 Ca -0.02 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3fbf n ASP 101 Cb 0.25 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.82 0.08 -4.43 0.64 4.77 -0.46 -5.06 117.00 109.71 3fbf n LEU 102 Ca -0.19 -0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 55.13 3fbf n LEU 102 Cb 0.98 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.97 3fbf n LEU 102 CO 0.44 0.02 -0.42 0.00 -1.33 0.00 0.00 177.39 176.10 3fbf s ALA 103 N -0.72 2.42 -0.27 -1.18 0.00 -0.13 -5.02 121.76 116.87 3fbf s ALA 103 Ca 0.00 -1.85 0.13 0.00 0.00 0.00 0.00 51.96 50.24 3fbf s ALA 103 Cb 0.00 -0.03 0.36 0.00 0.00 0.00 0.00 23.12 23.46 3fbf s ALA 103 CO 0.00 0.07 1.39 -1.71 0.00 0.00 0.00 175.76 175.51 3fbf n ASN 104 N -0.56 -0.87 -3.60 0.00 5.15 -1.26 -4.74 115.26 109.38 3fbf n ASN 104 Ca -0.06 -2.15 -0.16 0.00 -0.60 0.00 0.00 54.58 51.61 3fbf n ASN 104 Cb 0.62 0.43 -0.07 0.00 -0.53 0.00 0.00 39.78 40.22 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 -1.54 -0.52 0.25 1.20 -1.08 -1.26 -5.04 116.67 108.68 3fbf s ASP 105 Ca 0.11 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 52.93 3fbf s ASP 105 Cb 0.36 0.50 0.26 0.00 -1.46 0.00 0.00 42.92 42.58 3fbf s ASP 105 CO -0.10 -0.55 1.34 0.16 0.52 0.00 0.00 175.17 176.55 3fbf h ILE 106 N 3.30 0.00 0.00 4.11 -0.00 -2.02 -3.39 117.51 119.51 3fbf h ILE 106 Ca -0.28 -0.82 -0.32 0.00 -0.00 0.00 0.00 64.86 63.44 3fbf h ILE 106 Cb 1.15 1.53 -0.05 0.00 -0.00 0.00 0.00 36.82 39.46 3fbf h ILE 106 CO 0.38 0.00 -2.03 -1.14 -0.00 0.00 0.00 178.15 175.36 3fbf n ARG 107 N -2.62 0.55 -2.74 0.16 0.63 -1.26 -4.82 116.66 106.57 3fbf n ARG 107 Ca 0.02 0.24 -0.43 0.00 -0.92 0.00 0.00 57.85 56.76 3fbf n ARG 107 Cb 0.51 -1.44 -0.01 0.00 0.45 0.00 0.00 32.46 31.97 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 -2.61 3.80 -0.13 -0.14 2.02 -1.26 -4.74 118.70 115.64 3fbf s GLU 108 Ca -0.35 -1.81 0.16 0.00 0.02 0.00 0.00 54.97 52.99 3fbf s GLU 108 Cb 0.11 -5.24 0.38 0.00 0.10 0.00 0.00 34.13 29.49 3fbf s GLU 108 CO 0.45 -2.02 1.18 0.27 0.02 0.00 0.00 175.26 175.16 3fbf n ASN 109 N 7.51 1.47 0.00 -0.19 0.23 -1.26 -4.22 115.26 118.79 3fbf n ASN 109 Ca 0.36 -3.13 0.00 0.00 -0.53 0.00 0.00 54.58 51.27 3fbf n ASN 109 Cb 0.48 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 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 -0.62 0.00 -3.72 -4.53 4.77 -1.26 -4.81 117.00 106.83 3fbf n LEU 110 Ca 0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3fbf n LEU 110 Cb 0.82 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.81 3fbf n LEU 110 CO -0.03 0.00 0.08 -0.51 -1.33 0.00 0.00 177.39 175.60 3fbf s ILE 111 N 0.00 -0.01 -0.06 -0.08 2.07 -1.26 -1.30 121.20 120.56 3fbf s ILE 111 Ca 0.00 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 3fbf s ILE 111 Cb 0.00 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 3fbf s ILE 111 CO 0.00 0.01 -0.08 -2.28 -1.91 0.00 0.00 174.94 170.68 3fbf s HIS 112 N 0.62 2.89 -0.02 3.50 5.65 -0.51 -4.97 115.29 122.46 3fbf s HIS 112 Ca -0.03 -0.01 0.02 0.00 0.25 0.00 0.00 55.06 55.29 3fbf s HIS 112 Cb -0.05 -1.69 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 3fbf s HIS 112 CO -0.04 0.31 -0.07 0.00 -0.65 0.00 0.00 174.74 174.29 3fbf s ALA 113 N -0.81 0.71 0.25 1.58 0.00 -1.26 -1.22 121.76 121.02 3fbf s ALA 113 Ca 0.13 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 3fbf s ALA 113 Cb -0.11 -0.27 -0.14 0.00 0.00 0.00 0.00 23.12 22.60 3fbf s ALA 113 CO 0.02 0.11 1.25 0.43 0.00 0.00 0.00 175.76 177.57 3fbf n SER 114 N 3.30 2.15 -0.66 0.00 7.64 -0.84 -4.90 113.62 120.31 3fbf n SER 114 Ca -0.18 1.16 0.11 0.00 1.01 0.00 0.00 58.87 60.97 3fbf n SER 114 Cb 0.55 -1.36 0.04 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.68 2.35 -3.83 6.43 5.75 -1.26 -4.71 116.55 122.95 3fbf n ASP 115 Ca 0.11 -1.68 -0.07 0.00 -0.01 0.00 0.00 54.79 53.14 3fbf n ASP 115 Cb 0.31 0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 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 -2.09 -0.28 0.19 -1.12 1.04 -1.26 -4.96 113.70 105.22 3fbf s SER 116 Ca 0.21 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 3fbf s SER 116 Cb 0.17 0.72 0.12 0.00 0.10 0.00 0.00 66.02 67.13 3fbf s SER 116 CO 0.41 -1.32 1.83 -0.33 0.98 0.00 0.00 173.24 174.81 3fbf h GLU 117 N 2.01 0.92 -0.06 4.02 5.08 -1.98 0.29 114.58 124.86 3fbf h GLU 117 Ca -0.20 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3fbf h GLU 117 Cb 1.25 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3fbf h GLU 117 CO 0.25 0.66 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.44 3fbf h ASP 118 N 0.92 0.14 -0.55 1.42 3.32 -1.99 -1.63 116.42 118.04 3fbf h ASP 118 Ca 0.24 -0.43 0.10 0.00 0.02 0.00 0.00 57.03 56.97 3fbf h ASP 118 Cb -0.02 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.41 3fbf h ASP 118 CO -0.04 0.54 0.07 0.28 -1.72 0.00 0.00 179.24 178.36 3fbf h SER 119 N -0.26 -0.10 0.23 6.45 0.02 -1.92 0.35 113.55 118.33 3fbf h SER 119 Ca 0.01 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3fbf h SER 119 Cb 0.49 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3fbf h SER 119 CO 0.01 -0.03 -0.24 0.00 -1.14 0.00 0.00 176.83 175.43 3fbf h ALA 120 N 1.46 -0.49 0.06 3.77 0.00 -0.85 0.39 119.26 123.60 3fbf h ALA 120 Ca 0.28 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3fbf h ALA 120 Cb 0.42 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3fbf h ALA 120 CO -0.41 -0.81 -0.09 0.28 0.00 0.00 0.00 179.25 178.23 3fbf h VAL 121 N -0.51 0.80 0.00 0.00 2.07 -0.72 0.79 116.25 118.68 3fbf h VAL 121 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fbf h VAL 121 Cb 0.48 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3fbf h VAL 121 CO -0.06 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.86 3fbf n ASP 122 N -5.20 0.00 0.21 0.57 -0.08 0.12 -1.22 116.55 110.95 3fbf n ASP 122 Ca -0.07 1.00 0.06 0.00 -1.51 0.00 0.00 54.79 54.27 3fbf n ASP 122 Cb 0.13 -0.50 0.47 0.00 2.34 0.00 0.00 41.12 43.56 3fbf n ASP 122 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3fbf h GLU 123 N 0.00 0.00 -0.52 -0.67 5.08 -0.05 -0.80 114.58 117.62 3fbf h GLU 123 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3fbf h GLU 123 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3fbf h GLU 123 CO 0.00 0.27 0.05 0.82 -1.00 0.00 0.00 179.01 179.15 3fbf h ILE 124 N 0.00 1.26 -0.07 3.13 2.04 -0.69 -2.26 117.51 120.92 3fbf h ILE 124 Ca -0.00 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.86 3fbf h ILE 124 Cb 0.55 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3fbf h ILE 124 CO 0.04 0.36 -0.03 0.28 0.00 0.00 0.00 178.15 178.80 3fbf h SER 125 N 0.76 -0.09 -0.29 1.72 0.02 0.23 0.60 113.55 116.50 3fbf h SER 125 Ca 0.15 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3fbf h SER 125 Cb 0.46 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 3fbf h SER 125 CO 0.02 -0.04 -0.18 0.40 -1.14 0.00 0.00 176.83 175.89 3fbf h ILE 126 N -0.02 0.49 0.00 3.27 2.04 -1.24 -2.53 117.51 119.52 3fbf h ILE 126 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3fbf h ILE 126 Cb 0.07 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3fbf h ILE 126 CO -0.08 0.00 -1.15 0.79 0.00 0.00 0.00 178.15 177.71 3fbf n TRP 127 N -5.34 0.96 -3.09 1.37 7.02 -0.86 -4.53 117.44 112.97 3fbf n TRP 127 Ca 0.00 0.29 -0.18 0.00 -1.02 0.00 0.00 57.50 56.59 3fbf n TRP 127 Cb 0.25 -1.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.12 3fbf n TRP 127 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3fbf n PHE 128 N -2.74 0.79 0.30 -5.99 3.72 0.21 -4.98 117.46 108.76 3fbf n PHE 128 Ca -0.03 -3.72 0.18 0.00 -0.05 0.00 0.00 57.45 53.82 3fbf n PHE 128 Cb 0.64 -0.42 0.99 0.00 -0.94 0.00 0.00 39.48 39.76 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 2.99 0.00 -0.02 -1.08 0.11 -1.59 -3.42 132.00 128.99 3fbf h PRO 129 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3fbf h PRO 129 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3fbf h PRO 129 CO 0.54 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.72