#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbb s GLN 2 N 0.00 1.21 0.03 1.96 -0.21 0.58 -4.86 119.66 118.38 3fbb s GLN 2 Ca 0.00 -1.63 0.04 0.00 0.02 0.00 0.00 55.36 53.79 3fbb s GLN 2 Cb 0.00 -0.07 -0.04 0.00 1.00 0.00 0.00 33.01 33.90 3fbb s GLN 2 CO 0.00 -0.27 -0.06 1.03 -2.12 0.00 0.00 175.29 173.88 3fbb s ARG 3 N -4.03 2.51 0.12 2.91 1.81 -1.26 -1.40 118.95 119.61 3fbb s ARG 3 Ca 0.32 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 3fbb s ARG 3 Cb 0.07 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 3fbb s ARG 3 CO 0.09 0.58 0.01 -0.08 -0.68 0.00 0.00 175.30 175.22 3fbb s THR 4 N -1.09 0.37 -0.15 0.02 -1.32 -0.19 -4.66 115.64 108.62 3fbb s THR 4 Ca 0.19 -1.91 -0.03 0.00 -1.21 0.00 0.00 61.69 58.73 3fbb s THR 4 Cb -0.11 -1.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.95 3fbb s THR 4 CO 0.10 -0.64 -0.04 -0.22 -2.21 0.00 0.00 174.62 171.61 3fbb s LEU 5 N -3.06 3.22 -0.06 9.08 0.20 -1.26 -1.44 118.68 125.37 3fbb s LEU 5 Ca 0.19 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.91 3fbb s LEU 5 Cb 0.07 -1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 44.04 3fbb s LEU 5 CO -0.01 0.17 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.35 3fbb s VAL 6 N 0.35 2.70 -0.10 1.68 1.01 0.95 -1.82 120.40 125.17 3fbb s VAL 6 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3fbb s VAL 6 Cb -0.14 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3fbb s VAL 6 CO 0.03 0.57 -0.11 -0.76 0.00 0.00 0.00 175.10 174.83 3fbb s LEU 7 N -0.36 2.88 -0.36 3.92 1.43 0.89 -0.96 118.68 126.12 3fbb s LEU 7 Ca 0.03 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 3fbb s LEU 7 Cb -0.12 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3fbb s LEU 7 CO 0.02 0.25 0.31 -0.63 0.23 0.00 0.00 176.35 176.52 3fbb s ILE 8 N -0.12 5.23 0.67 -0.59 1.01 0.12 -0.92 121.20 126.60 3fbb s ILE 8 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 3fbb s ILE 8 Cb -0.13 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 3fbb s ILE 8 CO 0.03 -0.11 1.06 -0.54 0.00 0.00 0.00 174.94 175.39 3fbb s LYS 9 N 1.85 3.11 0.57 2.79 1.02 0.11 -2.12 119.74 127.07 3fbb s LYS 9 Ca 0.08 0.52 0.28 0.00 0.02 0.00 0.00 55.97 56.88 3fbb s LYS 9 Cb -0.17 -2.06 1.69 0.00 -0.52 0.00 0.00 37.83 36.77 3fbb s LYS 9 CO 0.11 -0.86 2.20 -1.35 -0.92 0.00 0.00 175.35 174.53 3fbb h PRO 10 N -0.51 0.00 0.00 -1.68 0.11 -1.83 -0.89 132.00 127.20 3fbb h PRO 10 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3fbb h PRO 10 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fbb h PRO 10 CO 0.63 0.04 -0.11 0.38 -0.21 0.00 0.00 178.00 178.73 3fbb h ASP 11 N 0.00 0.00 -0.12 -2.05 2.03 -1.90 -1.67 116.42 112.71 3fbb h ASP 11 Ca -0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 3fbb h ASP 11 Cb 0.10 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3fbb h ASP 11 CO 0.00 0.11 -0.55 0.00 -1.03 0.00 0.00 179.24 177.77 3fbb h ALA 12 N 1.89 0.59 -0.32 4.15 0.00 -1.42 -1.94 119.26 122.21 3fbb h ALA 12 Ca -0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 3fbb h ALA 12 Cb 0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fbb h ALA 12 CO 0.01 0.69 -0.43 0.74 0.00 0.00 0.00 179.25 180.26 3fbb h PHE 13 N 0.54 1.06 -1.01 0.00 -1.00 -1.55 0.27 116.94 115.25 3fbb h PHE 13 Ca 0.01 -0.34 0.10 0.00 2.81 0.00 0.00 57.97 60.55 3fbb h PHE 13 Cb 1.13 -0.21 -0.08 0.00 3.61 0.00 0.00 35.95 40.40 3fbb h PHE 13 CO 0.06 1.16 0.64 1.49 -1.61 0.00 0.00 178.31 180.05 3fbb h GLU 14 N 0.65 1.02 -0.37 1.51 4.22 -1.25 -2.71 114.58 117.66 3fbb h GLU 14 Ca 0.04 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3fbb h GLU 14 Cb 1.03 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3fbb h GLU 14 CO 0.10 0.67 0.00 0.54 -2.18 0.00 0.00 179.01 178.15 3fbb n ARG 15 N -4.58 2.33 -3.61 1.92 1.74 -0.74 -4.97 116.66 108.74 3fbb n ARG 15 Ca 0.18 -2.12 -0.23 0.00 -0.77 0.00 0.00 57.85 54.91 3fbb n ARG 15 Cb 0.31 -1.42 0.07 0.00 -1.02 0.00 0.00 32.46 30.40 3fbb n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3fbb n SER 16 N 1.17 -4.73 -0.59 0.55 7.64 -0.30 -4.90 113.62 112.47 3fbb n SER 16 Ca 0.16 -0.61 0.05 0.00 1.01 0.00 0.00 58.87 59.48 3fbb n SER 16 Cb 0.52 -4.84 0.13 0.00 -1.01 0.00 0.00 64.21 59.02 3fbb n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fbb n LEU 17 N -4.70 2.76 -0.03 -3.43 4.77 0.80 -4.71 117.00 112.47 3fbb n LEU 17 Ca -0.08 -1.88 -0.08 0.00 -0.03 0.00 0.00 56.01 53.93 3fbb n LEU 17 Cb 0.59 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3fbb n LEU 17 CO 0.66 0.68 0.78 0.58 -1.33 0.00 0.00 177.39 178.76 3fbb h VAL 18 N 1.95 0.65 -0.32 4.08 2.07 -1.90 -1.72 116.25 121.06 3fbb h VAL 18 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 3fbb h VAL 18 Cb 0.69 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3fbb h VAL 18 CO 0.00 0.00 -0.42 0.00 0.02 0.00 0.00 177.57 177.17 3fbb h ALA 19 N 1.05 0.66 -0.80 1.67 0.00 -1.94 -1.99 119.26 117.91 3fbb h ALA 19 Ca 0.11 -0.46 0.11 0.00 0.00 0.00 0.00 54.91 54.67 3fbb h ALA 19 Cb 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 3fbb h ALA 19 CO -0.26 0.67 0.43 1.49 0.00 0.00 0.00 179.25 181.58 3fbb h GLU 20 N 0.64 0.67 0.06 0.00 4.57 -1.81 0.11 114.58 118.82 3fbb h GLU 20 Ca 0.05 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3fbb h GLU 20 Cb 0.98 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3fbb h GLU 20 CO 0.09 0.44 -0.03 0.82 -1.18 0.00 0.00 179.01 179.16 3fbb h ILE 21 N 0.69 1.23 -0.79 2.32 2.04 -1.15 -2.79 117.51 119.06 3fbb h ILE 21 Ca 0.40 -1.46 0.14 0.00 1.00 0.00 0.00 64.86 64.94 3fbb h ILE 21 Cb 0.45 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 3fbb h ILE 21 CO -0.29 0.34 0.52 0.24 0.00 0.00 0.00 178.15 178.96 3fbb h MET 22 N -0.79 0.51 -0.06 2.37 2.86 -1.31 -2.27 114.93 116.24 3fbb h MET 22 Ca -0.01 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3fbb h MET 22 Cb 0.62 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3fbb h MET 22 CO 0.01 0.34 -0.52 0.78 1.06 0.00 0.00 176.91 178.58 3fbb h GLY 23 N 0.52 0.17 1.94 8.32 0.00 -0.76 0.02 103.07 113.28 3fbb h GLY 23 Ca 0.38 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 3fbb h GLY 23 CO -0.14 0.17 -0.49 3.21 0.00 0.00 0.00 176.54 179.29 3fbb h ARG 24 N 0.12 0.07 0.03 4.80 3.08 -1.13 -0.37 114.38 120.98 3fbb h ARG 24 Ca 0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 3fbb h ARG 24 Cb 0.96 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.03 3fbb h ARG 24 CO 0.08 0.54 -0.78 0.82 -1.07 0.00 0.00 179.97 179.56 3fbb h ILE 25 N 0.06 1.39 -0.85 2.04 2.04 -1.35 -3.17 117.51 117.67 3fbb h ILE 25 Ca -0.00 -2.20 0.02 0.00 1.00 0.00 0.00 64.86 63.68 3fbb h ILE 25 Cb 0.89 2.63 -0.05 0.00 -0.74 0.00 0.00 36.82 39.55 3fbb h ILE 25 CO 0.07 0.65 0.56 -0.08 0.00 0.00 0.00 178.15 179.34 3fbb h GLU 26 N 0.00 1.08 0.00 2.37 4.81 -0.87 -2.48 114.58 119.50 3fbb h GLU 26 Ca -0.11 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3fbb h GLU 26 Cb 1.49 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3fbb h GLU 26 CO 0.15 0.72 -0.00 0.87 -0.73 0.00 0.00 179.01 180.02 3fbb h LYS 27 N 1.12 0.00 -0.44 1.92 1.57 -1.11 -0.89 116.57 118.74 3fbb h LYS 27 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3fbb h LYS 27 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3fbb h LYS 27 CO -0.09 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 179.96 3fbb n LYS 28 N -3.09 2.04 -1.88 3.15 4.81 -0.95 -4.91 118.16 117.34 3fbb n LYS 28 Ca -0.00 -1.51 -0.04 0.00 -0.87 0.00 0.00 58.31 55.89 3fbb n LYS 28 Cb 0.26 -1.36 -0.01 0.00 0.02 0.00 0.00 35.03 33.94 3fbb n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3fbb n ASN 29 N 0.69 -2.37 -4.85 3.14 4.05 -0.34 -5.05 115.26 110.53 3fbb n ASN 29 Ca 0.14 0.02 -0.34 0.00 0.45 0.00 0.00 54.58 54.85 3fbb n ASN 29 Cb 0.38 -1.44 -0.06 0.00 1.23 0.00 0.00 39.78 39.89 3fbb n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3fbb s PHE 30 N -2.21 3.55 -0.05 1.20 0.40 -1.14 -4.91 117.98 114.83 3fbb s PHE 30 Ca 0.00 0.99 0.02 0.00 -0.60 0.00 0.00 56.93 57.34 3fbb s PHE 30 Cb 0.00 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 3fbb s PHE 30 CO 0.00 0.39 -0.09 0.15 0.70 0.00 0.00 175.22 176.37 3fbb s LYS 31 N -2.19 2.65 -0.16 0.44 -0.14 -0.51 -4.49 119.74 115.34 3fbb s LYS 31 Ca 0.40 -0.61 -0.29 0.00 -1.36 0.00 0.00 55.97 54.11 3fbb s LYS 31 Cb -0.14 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 3fbb s LYS 31 CO 0.20 0.64 1.27 0.42 -0.76 0.00 0.00 175.35 177.12 3fbb s ILE 32 N -0.83 4.27 -0.16 2.17 1.01 -1.26 0.08 121.20 126.48 3fbb s ILE 32 Ca 0.13 1.54 -0.07 0.00 0.00 0.00 0.00 60.65 62.25 3fbb s ILE 32 Cb -0.11 -3.99 -0.23 0.00 0.01 0.00 0.00 42.46 38.14 3fbb s ILE 32 CO 0.02 -0.13 0.20 0.52 0.00 0.00 0.00 174.94 175.55 3fbb n VAL 33 N 5.33 1.69 -3.68 2.92 0.31 0.31 -4.94 118.33 120.27 3fbb n VAL 33 Ca 0.14 -0.56 -0.10 0.00 -0.01 0.00 0.00 64.34 63.80 3fbb n VAL 33 Cb 0.45 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 3fbb n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fbb s SER 34 N -6.93 -0.27 -0.28 4.52 1.04 -1.18 -5.00 113.70 105.60 3fbb s SER 34 Ca -0.26 -0.40 -0.22 0.00 0.48 0.00 0.00 55.95 55.55 3fbb s SER 34 Cb 0.07 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.82 3fbb s SER 34 CO 0.71 -0.97 0.81 -0.32 0.98 0.00 0.00 173.24 174.45 3fbb s MET 35 N -3.84 0.68 -0.01 4.02 0.00 -1.26 -0.73 119.30 118.17 3fbb s MET 35 Ca 0.07 0.92 0.03 0.00 0.00 0.00 0.00 55.69 56.71 3fbb s MET 35 Cb 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 34.83 35.10 3fbb s MET 35 CO -0.07 -0.10 -0.09 0.15 0.00 0.00 0.00 175.02 174.91 3fbb s LYS 36 N 0.74 0.73 -0.25 4.11 1.02 0.45 -4.99 119.74 121.55 3fbb s LYS 36 Ca -0.03 -0.31 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 3fbb s LYS 36 Cb -0.05 -0.71 -0.05 0.00 -0.52 0.00 0.00 37.83 36.51 3fbb s LYS 36 CO -0.07 0.18 0.15 0.12 -0.92 0.00 0.00 175.35 174.81 3fbb s PHE 37 N -0.16 3.24 -0.31 3.18 5.36 -1.26 -0.57 117.98 127.46 3fbb s PHE 37 Ca 0.03 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.05 3fbb s PHE 37 Cb -0.04 -2.30 0.04 0.00 -0.34 0.00 0.00 43.02 40.39 3fbb s PHE 37 CO -0.00 -0.07 0.03 -1.58 -1.46 0.00 0.00 175.22 172.14 3fbb s TRP 38 N 1.36 3.25 0.45 10.12 0.52 0.49 -4.95 118.94 130.19 3fbb s TRP 38 Ca 0.07 -1.70 0.36 0.00 0.02 0.00 0.00 56.10 54.85 3fbb s TRP 38 Cb -0.15 -2.16 1.85 0.00 -1.15 0.00 0.00 33.47 31.86 3fbb s TRP 38 CO 0.07 -0.77 2.19 0.66 0.02 0.00 0.00 176.95 179.11 3fbb h SER 39 N 8.08 0.00 -1.17 2.95 4.64 -1.92 0.06 113.55 126.18 3fbb h SER 39 Ca -0.22 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3fbb h SER 39 Cb 1.07 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.95 3fbb h SER 39 CO 0.56 0.03 -0.26 -0.75 -0.87 0.00 0.00 176.83 175.54 3fbb s LYS 40 N -4.08 0.56 0.24 4.77 2.20 -1.26 -3.53 119.74 118.63 3fbb s LYS 40 Ca -0.03 1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 56.33 3fbb s LYS 40 Cb 0.12 0.55 -0.10 0.00 -1.51 0.00 0.00 37.83 36.90 3fbb s LYS 40 CO 0.50 -0.57 1.39 0.00 -0.36 0.00 0.00 175.35 176.31 3fbb s ALA 41 N 2.85 3.59 0.09 3.13 0.00 -1.26 -4.95 121.76 125.20 3fbb s ALA 41 Ca 0.17 1.25 -0.35 0.00 0.00 0.00 0.00 51.96 53.02 3fbb s ALA 41 Cb -0.15 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 3fbb s ALA 41 CO -0.20 -0.66 1.49 -2.30 0.00 0.00 0.00 175.76 174.08 3fbb n PRO 42 N 2.37 1.65 -0.04 0.00 -0.02 -1.26 -4.84 135.00 132.86 3fbb n PRO 42 Ca 0.06 0.60 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 3fbb n PRO 42 Cb 0.41 -2.31 0.59 0.00 -0.02 0.00 0.00 33.50 32.17 3fbb n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fbb h ARG 43 N 5.52 0.20 -0.50 -0.52 2.43 -1.97 -2.23 114.38 117.32 3fbb h ARG 43 Ca -0.46 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.59 3fbb h ARG 43 Cb 1.29 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3fbb h ARG 43 CO 0.84 0.13 -0.11 -2.95 -1.51 0.00 0.00 179.97 176.37 3fbb h ASN 44 N 0.21 0.92 -0.31 -3.80 -1.07 -1.98 0.25 115.58 109.80 3fbb h ASN 44 Ca 0.26 -0.30 0.04 0.00 0.07 0.00 0.00 56.30 56.38 3fbb h ASN 44 Cb 0.76 -0.25 -0.04 0.00 -2.07 0.00 0.00 38.32 36.71 3fbb h ASN 44 CO -0.05 1.04 0.05 -0.07 0.07 0.00 0.00 177.43 178.48 3fbb h LEU 45 N 0.83 -0.00 -0.46 6.14 4.07 -1.79 0.39 115.31 124.49 3fbb h LEU 45 Ca 0.13 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 3fbb h LEU 45 Cb 0.65 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.44 3fbb h LEU 45 CO 0.05 0.03 0.23 0.40 -1.08 0.00 0.00 178.44 178.07 3fbb h ILE 46 N 0.16 1.18 -0.39 1.22 1.08 -1.29 0.54 117.51 120.02 3fbb h ILE 46 Ca 0.14 -0.51 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 3fbb h ILE 46 Cb 0.16 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3fbb h ILE 46 CO -0.20 0.20 0.25 -0.33 -0.69 0.00 0.00 178.15 177.38 3fbb h GLU 47 N 0.60 0.49 0.20 2.37 5.08 -0.27 -1.59 114.58 121.46 3fbb h GLU 47 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3fbb h GLU 47 Cb 0.11 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fbb h GLU 47 CO -0.02 0.32 -0.10 1.96 -1.00 0.00 0.00 179.01 180.18 3fbb h GLN 48 N 0.51 -0.26 -0.95 2.33 4.20 -0.74 -1.50 115.11 118.70 3fbb h GLN 48 Ca 0.15 0.02 0.23 0.00 0.06 0.00 0.00 58.65 59.10 3fbb h GLN 48 Cb -0.04 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 27.68 3fbb h GLN 48 CO -0.04 -0.16 0.50 1.25 -0.67 0.00 0.00 178.83 179.71 3fbb h HIS 49 N -0.28 0.86 -0.55 2.96 2.76 -0.49 0.32 115.15 120.73 3fbb h HIS 49 Ca -0.03 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.02 3fbb h HIS 49 Cb 0.21 -0.23 -0.10 0.00 1.55 0.00 0.00 27.41 28.85 3fbb h HIS 49 CO -0.06 0.03 0.14 0.66 -1.30 0.00 0.00 177.93 177.40 3fbb n TYR 50 N -4.95 1.83 -0.40 5.26 4.02 -0.63 -4.66 117.16 117.62 3fbb n TYR 50 Ca 0.24 -1.21 0.33 0.00 -0.01 0.00 0.00 57.90 57.25 3fbb n TYR 50 Cb 0.69 -0.56 0.61 0.00 -0.02 0.00 0.00 39.34 40.06 3fbb n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3fbb h LYS 51 N 2.10 0.17 0.00 -0.72 2.10 0.74 0.50 116.57 121.46 3fbb h LYS 51 Ca 0.20 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 3fbb h LYS 51 Cb 1.99 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.29 3fbb h LYS 51 CO 0.55 0.11 0.00 -1.91 -2.00 0.00 0.00 179.45 176.20 3fbb n GLU 52 N -4.62 0.14 -0.01 0.07 4.07 -1.26 -2.48 120.64 116.53 3fbb n GLU 52 Ca 0.33 0.54 0.03 0.00 -0.06 0.00 0.00 57.16 58.01 3fbb n GLU 52 Cb 1.26 -1.87 0.04 0.00 -0.06 0.00 0.00 31.44 30.80 3fbb n GLU 52 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3fbb n HIS 53 N -2.15 0.04 0.09 4.31 8.25 0.17 -4.77 115.22 121.16 3fbb n HIS 53 Ca -0.00 -0.07 0.05 0.00 -0.26 0.00 0.00 57.72 57.44 3fbb n HIS 53 Cb 0.09 -0.01 0.26 0.00 1.12 0.00 0.00 29.99 31.46 3fbb n HIS 53 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fbb n SER 54 N 0.33 0.25 -0.42 0.41 3.41 -1.04 -0.37 113.62 116.18 3fbb n SER 54 Ca 0.04 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.24 3fbb n SER 54 Cb 0.19 -0.55 0.06 0.00 -0.26 0.00 0.00 64.21 63.65 3fbb n SER 54 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3fbb n GLU 55 N -1.81 1.00 -2.89 4.33 4.07 -1.26 -4.93 120.64 119.14 3fbb n GLU 55 Ca -0.01 -1.30 -0.32 0.00 -0.06 0.00 0.00 57.16 55.47 3fbb n GLU 55 Cb 0.14 -1.19 -0.05 0.00 -0.06 0.00 0.00 31.44 30.27 3fbb n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3fbb s GLN 56 N -0.84 3.98 0.46 5.31 -1.52 0.49 -4.97 119.66 122.58 3fbb s GLN 56 Ca 0.13 0.75 0.14 0.00 -1.95 0.00 0.00 55.36 54.43 3fbb s GLN 56 Cb 0.08 -2.33 1.07 0.00 -0.22 0.00 0.00 33.01 31.61 3fbb s GLN 56 CO 0.12 0.01 2.04 0.66 -0.25 0.00 0.00 175.29 177.87 3fbb h SER 57 N 1.73 0.05 -0.05 5.90 4.64 -1.94 -2.09 113.55 121.80 3fbb h SER 57 Ca -0.48 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fbb h SER 57 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3fbb h SER 57 CO 0.64 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 3fbb n TYR 58 N -4.40 0.05 -0.16 4.77 0.18 -1.26 -4.40 117.16 111.94 3fbb n TYR 58 Ca -0.02 -0.03 -0.07 0.00 1.88 0.00 0.00 57.90 59.66 3fbb n TYR 58 Cb 0.18 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.16 3fbb n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3fbb h PHE 59 N 1.08 0.63 -0.26 -3.48 3.04 -1.62 0.16 116.94 116.50 3fbb h PHE 59 Ca 0.00 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.81 3fbb h PHE 59 Cb 0.23 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 3fbb h PHE 59 CO 0.03 0.43 -0.41 -0.91 -2.02 0.00 0.00 178.31 175.43 3fbb h ASN 60 N 0.65 0.80 -0.46 0.41 2.35 -1.82 -2.15 115.58 115.36 3fbb h ASN 60 Ca 0.18 -0.52 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 3fbb h ASN 60 Cb -0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3fbb h ASN 60 CO -0.03 1.17 0.24 0.44 -1.65 0.00 0.00 177.43 177.59 3fbb h ASP 61 N 0.46 0.58 -0.32 5.81 3.32 -1.78 -0.77 116.42 123.72 3fbb h ASP 61 Ca 0.02 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.03 3fbb h ASP 61 Cb 1.00 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 3fbb h ASP 61 CO 0.09 0.52 -0.07 0.25 -1.72 0.00 0.00 179.24 178.31 3fbb h LEU 62 N 0.60 -0.27 -0.94 1.55 5.85 -0.64 0.10 115.31 121.56 3fbb h LEU 62 Ca 0.16 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 3fbb h LEU 62 Cb 0.08 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3fbb h LEU 62 CO -0.02 -0.09 -0.11 0.00 -0.34 0.00 0.00 178.44 177.87 3fbb h ASP 64 N 0.59 0.91 -0.26 0.00 3.32 -0.61 -2.43 116.42 117.95 3fbb h ASP 64 Ca 0.11 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3fbb h ASP 64 Cb 0.54 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3fbb h ASP 64 CO 0.03 1.03 0.15 0.15 -1.72 0.00 0.00 179.24 178.89 3fbb h PHE 65 N 0.82 0.34 0.00 4.55 3.04 -0.28 -2.63 116.94 122.78 3fbb h PHE 65 Ca 0.13 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3fbb h PHE 65 Cb 0.64 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.04 3fbb h PHE 65 CO 0.04 0.26 0.00 -1.33 -2.02 0.00 0.00 178.31 175.26 3fbb n MET 66 N -4.87 0.13 -0.06 1.11 2.81 -0.52 -0.95 117.12 114.77 3fbb n MET 66 Ca -0.02 0.42 0.06 0.00 -1.81 0.00 0.00 57.70 56.35 3fbb n MET 66 Cb 0.05 -1.77 0.09 0.00 -0.71 0.00 0.00 33.22 30.88 3fbb n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3fbb n VAL 67 N -2.02 0.32 1.35 2.03 0.31 -0.95 -4.57 118.33 114.80 3fbb n VAL 67 Ca 0.02 -0.66 0.13 0.00 -0.01 0.00 0.00 64.34 63.82 3fbb n VAL 67 Cb 0.17 1.01 0.40 0.00 -0.91 0.00 0.00 33.84 34.52 3fbb n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fbb n SER 68 N 0.68 1.72 -3.05 4.52 3.41 -0.12 -4.81 113.62 115.97 3fbb n SER 68 Ca 0.09 -1.50 -0.04 0.00 -0.26 0.00 0.00 58.87 57.16 3fbb n SER 68 Cb 0.36 0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3fbb n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbb n GLY 69 N 1.24 0.74 3.73 5.00 0.00 -1.26 -5.08 105.19 109.55 3fbb n GLY 69 Ca 0.17 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 3fbb n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fbb s PRO 70 N -2.06 2.06 0.11 1.61 0.02 -1.23 -4.59 135.00 130.92 3fbb s PRO 70 Ca 0.20 1.60 0.03 0.00 0.02 0.00 0.00 61.00 62.84 3fbb s PRO 70 Cb -0.03 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 3fbb s PRO 70 CO 0.07 -1.86 -0.08 0.96 -0.33 0.00 0.00 177.00 175.76 3fbb s ILE 71 N -2.26 0.87 -0.12 2.83 -4.36 0.01 -3.07 121.20 115.09 3fbb s ILE 71 Ca 0.70 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 59.17 3fbb s ILE 71 Cb -0.25 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 3fbb s ILE 71 CO 0.48 -0.80 -0.17 -0.63 0.24 0.00 0.00 174.94 174.06 3fbb s ILE 72 N -3.39 2.66 -0.16 8.37 1.01 -0.90 -0.38 121.20 128.41 3fbb s ILE 72 Ca 0.13 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 3fbb s ILE 72 Cb 0.03 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3fbb s ILE 72 CO -0.02 0.54 0.08 -0.94 0.00 0.00 0.00 174.94 174.60 3fbb s SER 73 N 0.37 5.86 -0.03 3.58 1.04 0.26 -0.70 113.70 124.07 3fbb s SER 73 Ca -0.14 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.50 3fbb s SER 73 Cb -0.17 -1.95 0.02 0.00 0.10 0.00 0.00 66.02 64.03 3fbb s SER 73 CO 0.07 0.25 -0.02 -0.63 0.98 0.00 0.00 173.24 173.89 3fbb s ILE 74 N -0.07 0.31 -0.25 -1.02 1.01 -0.14 -0.41 121.20 120.63 3fbb s ILE 74 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 3fbb s ILE 74 Cb -0.12 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 3fbb s ILE 74 CO 0.01 0.17 0.34 -0.69 0.00 0.00 0.00 174.94 174.77 3fbb s VAL 75 N 0.95 5.21 0.06 2.92 1.01 0.10 -0.03 120.40 130.61 3fbb s VAL 75 Ca -0.11 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3fbb s VAL 75 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3fbb s VAL 75 CO -0.01 0.21 0.03 -0.31 0.00 0.00 0.00 175.10 175.02 3fbb s TYR 76 N 1.75 3.08 -0.04 5.22 1.51 -0.52 -0.53 117.35 127.83 3fbb s TYR 76 Ca 0.14 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.29 3fbb s TYR 76 Cb -0.15 -1.60 -0.00 0.00 -0.11 0.00 0.00 41.96 40.09 3fbb s TYR 76 CO 0.09 0.49 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.87 3fbb s GLU 77 N -2.13 1.54 0.00 -0.62 2.12 0.11 -1.02 118.70 118.71 3fbb s GLU 77 Ca 0.25 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.05 3fbb s GLU 77 Cb -0.12 -1.37 0.00 0.00 0.26 0.00 0.00 34.13 32.90 3fbb s GLU 77 CO 0.17 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 3fbb n GLY 78 N 3.13 -0.37 3.65 -1.50 0.00 -0.49 -1.43 105.19 108.18 3fbb n GLY 78 Ca -0.18 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3fbb n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fbb s THR 79 N -2.00 3.47 -1.28 2.61 2.01 -1.26 -0.31 115.64 118.88 3fbb s THR 79 Ca 0.00 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 3fbb s THR 79 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3fbb s THR 79 CO 0.00 -0.10 0.58 -0.67 -0.69 0.00 0.00 174.62 173.74 3fbb n ASP 80 N 7.88 -5.44 -0.30 3.53 4.64 -1.26 -4.88 116.55 120.73 3fbb n ASP 80 Ca 0.19 -0.27 -0.03 0.00 -1.38 0.00 0.00 54.79 53.30 3fbb n ASP 80 Cb 0.43 -4.24 0.08 0.00 -1.04 0.00 0.00 41.12 36.35 3fbb n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fbb h ALA 81 N 0.84 1.04 0.98 -1.67 0.00 -1.76 -0.87 119.26 117.83 3fbb h ALA 81 Ca -0.45 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3fbb h ALA 81 Cb 1.31 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3fbb h ALA 81 CO 0.48 0.40 -0.48 0.82 0.00 0.00 0.00 179.25 180.47 3fbb h ILE 82 N 1.06 0.00 0.04 0.00 2.04 -1.88 -0.03 117.51 118.74 3fbb h ILE 82 Ca 0.31 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 3fbb h ILE 82 Cb -0.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 3fbb h ILE 82 CO -0.08 0.00 -0.02 -1.28 0.00 0.00 0.00 178.15 176.77 3fbb h SER 83 N -1.33 -0.05 -0.85 1.72 0.87 -1.85 -1.98 113.55 110.08 3fbb h SER 83 Ca -0.13 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 3fbb h SER 83 Cb 1.02 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 3fbb h SER 83 CO 0.22 0.00 0.56 0.11 -0.53 0.00 0.00 176.83 177.19 3fbb h LYS 84 N -0.09 1.10 -0.05 2.24 1.79 -1.10 0.12 116.57 120.58 3fbb h LYS 84 Ca -0.01 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.25 3fbb h LYS 84 Cb 0.07 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 3fbb h LYS 84 CO 0.01 0.73 -0.65 0.82 -1.08 0.00 0.00 179.45 179.28 3fbb h ILE 85 N 1.14 1.41 -0.43 1.86 2.04 -1.01 -1.13 117.51 121.38 3fbb h ILE 85 Ca 0.32 -2.09 0.05 0.00 1.00 0.00 0.00 64.86 64.13 3fbb h ILE 85 Cb -0.10 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3fbb h ILE 85 CO -0.08 0.62 0.17 0.03 0.00 0.00 0.00 178.15 178.88 3fbb h ARG 86 N 0.15 0.34 -0.75 2.37 2.47 -0.62 0.63 114.38 118.97 3fbb h ARG 86 Ca -0.01 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 3fbb h ARG 86 Cb 1.17 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.38 3fbb h ARG 86 CO 0.10 0.22 0.23 0.00 0.56 0.00 0.00 179.97 181.08 3fbb h ARG 87 N 0.35 1.17 -0.52 0.04 3.08 -0.77 -1.57 114.38 116.15 3fbb h ARG 87 Ca 0.20 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3fbb h ARG 87 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3fbb h ARG 87 CO -0.19 1.00 0.11 1.25 -1.07 0.00 0.00 179.97 181.07 3fbb h LEU 88 N 1.12 0.81 -0.80 3.04 5.85 -0.79 -2.56 115.31 121.98 3fbb h LEU 88 Ca 0.24 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3fbb h LEU 88 Cb 0.31 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3fbb h LEU 88 CO -0.01 0.84 0.47 -0.61 -0.34 0.00 0.00 178.44 178.80 3fbb h GLN 89 N 0.74 0.82 0.00 1.25 4.15 -0.56 0.03 115.11 121.54 3fbb h GLN 89 Ca 0.16 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3fbb h GLN 89 Cb 0.36 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3fbb h GLN 89 CO 0.00 0.54 0.00 0.41 -1.93 0.00 0.00 178.83 177.86 3fbb n GLY 90 N -1.32 1.93 3.46 2.39 0.00 -0.62 -1.26 105.19 109.78 3fbb n GLY 90 Ca 0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 3fbb n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fbb s ASN 91 N -4.00 -0.08 0.01 1.61 2.20 -1.26 -4.77 114.94 108.64 3fbb s ASN 91 Ca 0.00 -0.78 0.01 0.00 -0.94 0.00 0.00 52.86 51.14 3fbb s ASN 91 Cb 0.00 0.52 0.03 0.00 -2.00 0.00 0.00 41.25 39.80 3fbb s ASN 91 CO 0.00 -1.01 0.97 -0.38 -2.94 0.00 0.00 177.10 173.74 3fbb n ILE 92 N -0.30 1.77 0.45 0.54 2.08 -1.26 -1.34 119.36 121.30 3fbb n ILE 92 Ca -0.06 0.51 0.11 0.00 0.56 0.00 0.00 62.75 63.86 3fbb n ILE 92 Cb 0.63 -1.51 -0.08 0.00 -0.75 0.00 0.00 39.64 37.93 3fbb n ILE 92 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3fbb n LEU 93 N -1.47 0.51 -4.15 1.39 4.77 -1.26 -4.68 117.00 112.10 3fbb n LEU 93 Ca -0.00 -0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.49 3fbb n LEU 93 Cb 0.05 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 3fbb n LEU 93 CO 0.00 0.07 -0.11 -0.89 -1.33 0.00 0.00 177.39 175.13 3fbb s THR 94 N -3.27 3.60 0.73 -5.08 2.01 -0.45 -5.03 115.64 108.15 3fbb s THR 94 Ca 0.01 -2.01 -0.15 0.00 0.31 0.00 0.00 61.69 59.84 3fbb s THR 94 Cb 0.14 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 69.26 3fbb s THR 94 CO 0.85 -0.73 1.18 -2.84 -0.69 0.00 0.00 174.62 172.40 3fbb s PRO 95 N 1.15 2.20 0.00 4.92 0.02 -1.26 -2.96 135.00 139.07 3fbb s PRO 95 Ca 0.08 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.77 3fbb s PRO 95 Cb -0.24 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3fbb s PRO 95 CO -0.03 -1.77 0.00 0.41 -0.33 0.00 0.00 177.00 175.28 3fbb n GLY 96 N 0.20 3.37 3.90 0.52 0.00 -1.26 -4.94 105.19 106.97 3fbb n GLY 96 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 3fbb n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbb s THR 97 N -2.96 3.51 0.08 2.61 -4.23 -1.16 -4.95 115.64 108.56 3fbb s THR 97 Ca 0.00 -1.25 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 3fbb s THR 97 Cb 0.00 -3.20 -0.16 0.00 1.34 0.00 0.00 72.50 70.48 3fbb s THR 97 CO 0.00 -0.14 1.66 0.40 -0.54 0.00 0.00 174.62 176.00 3fbb h ILE 98 N 1.09 0.53 -0.19 2.99 2.04 -1.04 0.13 117.51 123.06 3fbb h ILE 98 Ca -0.44 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 3fbb h ILE 98 Cb 1.26 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3fbb h ILE 98 CO 0.56 0.00 -0.25 0.03 0.00 0.00 0.00 178.15 178.49 3fbb h ARG 99 N -0.59 0.36 -0.29 2.37 3.08 -1.42 -1.83 114.38 116.05 3fbb h ARG 99 Ca -0.04 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 3fbb h ARG 99 Cb 0.48 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3fbb h ARG 99 CO 0.05 0.59 -0.21 0.78 -1.07 0.00 0.00 179.97 180.11 3fbb h GLY 100 N 1.00 0.59 0.97 0.04 0.00 -1.07 -1.60 103.07 103.00 3fbb h GLY 100 Ca 0.05 -0.47 -0.31 0.00 0.00 0.00 0.00 47.33 46.60 3fbb h GLY 100 CO 0.04 0.43 -1.72 -0.55 0.00 0.00 0.00 176.54 174.74 3fbb h ASP 101 N 0.49 0.19 0.00 0.19 3.32 -0.65 -3.40 116.42 116.56 3fbb h ASP 101 Ca 0.08 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3fbb h ASP 101 Cb 0.64 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3fbb h ASP 101 CO 0.05 1.32 -0.35 0.18 -1.72 0.00 0.00 179.24 178.72 3fbb n LEU 102 N -3.25 0.05 -4.46 1.55 4.77 -0.70 -5.04 117.00 109.92 3fbb n LEU 102 Ca -0.20 -0.36 -0.27 0.00 -0.03 0.00 0.00 56.01 55.15 3fbb n LEU 102 Cb 1.04 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.02 3fbb n LEU 102 CO 0.45 0.01 -0.50 0.00 -1.33 0.00 0.00 177.39 176.03 3fbb s ALA 103 N -1.41 2.65 0.00 -1.18 0.00 -0.61 -5.02 121.76 116.19 3fbb s ALA 103 Ca 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.43 3fbb s ALA 103 Cb 0.01 -0.43 0.11 0.00 0.00 0.00 0.00 23.12 22.81 3fbb s ALA 103 CO 0.06 0.44 1.02 -1.71 0.00 0.00 0.00 175.76 175.57 3fbb n ASN 104 N 0.19 0.25 -3.87 0.00 5.15 -1.26 -4.71 115.26 111.00 3fbb n ASN 104 Ca -0.12 -1.96 -0.11 0.00 -0.60 0.00 0.00 54.58 51.79 3fbb n ASN 104 Cb 0.56 -0.21 -0.10 0.00 -0.53 0.00 0.00 39.78 39.50 3fbb n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fbb s ASP 105 N -1.22 0.02 0.26 1.20 -1.08 -1.26 -5.04 116.67 109.56 3fbb s ASP 105 Ca 0.09 -0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.17 3fbb s ASP 105 Cb 0.10 0.21 0.54 0.00 -1.46 0.00 0.00 42.92 42.31 3fbb s ASP 105 CO -0.04 -0.35 1.60 0.16 0.52 0.00 0.00 175.17 177.05 3fbb h ILE 106 N 4.31 0.00 0.00 4.11 -0.00 -2.01 -3.38 117.51 120.55 3fbb h ILE 106 Ca -0.31 -0.66 0.00 0.00 -0.00 0.00 0.00 64.86 63.89 3fbb h ILE 106 Cb 1.19 1.56 0.00 0.00 -0.00 0.00 0.00 36.82 39.57 3fbb h ILE 106 CO 0.41 0.00 -0.59 0.61 -0.00 0.00 0.00 178.15 178.58 3fbb n GLY 107 N 1.25 -0.78 3.48 0.16 0.00 -1.26 -4.77 105.19 103.27 3fbb n GLY 107 Ca 0.04 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3fbb n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fbb s GLU 108 N -2.28 3.65 -0.14 1.61 2.02 -1.26 -4.78 118.70 117.52 3fbb s GLU 108 Ca -0.17 -1.66 0.15 0.00 0.02 0.00 0.00 54.97 53.31 3fbb s GLU 108 Cb 0.02 -5.06 0.40 0.00 0.10 0.00 0.00 34.13 29.59 3fbb s GLU 108 CO 0.25 -1.90 1.19 0.27 0.02 0.00 0.00 175.26 175.10 3fbb n ASN 109 N 7.15 1.50 0.00 -0.19 0.23 -1.26 -4.18 115.26 118.52 3fbb n ASN 109 Ca 0.28 -3.25 0.00 0.00 -0.53 0.00 0.00 54.58 51.08 3fbb n ASN 109 Cb 0.49 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 3fbb n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3fbb n LEU 110 N -0.64 0.00 -3.85 -4.53 4.77 -1.26 -4.79 117.00 106.70 3fbb n LEU 110 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3fbb n LEU 110 Cb 0.82 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.78 3fbb n LEU 110 CO -0.04 0.00 -0.24 -0.51 -1.33 0.00 0.00 177.39 175.27 3fbb s ILE 111 N 0.00 0.02 -0.07 -0.08 2.07 -1.26 -0.71 121.20 121.17 3fbb s ILE 111 Ca 0.00 -0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3fbb s ILE 111 Cb 0.00 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.37 3fbb s ILE 111 CO 0.00 -0.07 -0.12 -2.28 -1.91 0.00 0.00 174.94 170.56 3fbb s HIS 112 N -0.20 2.79 0.00 3.50 5.65 -0.09 -4.96 115.29 121.98 3fbb s HIS 112 Ca -0.03 -0.19 0.04 0.00 0.25 0.00 0.00 55.06 55.13 3fbb s HIS 112 Cb -0.02 -1.69 -0.01 0.00 -1.18 0.00 0.00 32.58 29.67 3fbb s HIS 112 CO 0.00 0.16 -0.11 0.00 -0.65 0.00 0.00 174.74 174.14 3fbb s ALA 113 N -0.55 0.95 0.25 1.58 0.00 -1.26 -0.08 121.76 122.65 3fbb s ALA 113 Ca 0.08 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 3fbb s ALA 113 Cb -0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 23.12 22.66 3fbb s ALA 113 CO 0.02 0.21 1.47 0.43 0.00 0.00 0.00 175.76 177.89 3fbb n SER 114 N 2.59 3.07 -0.18 0.00 7.64 -0.76 -4.91 113.62 121.07 3fbb n SER 114 Ca -0.15 1.14 0.12 0.00 1.01 0.00 0.00 58.87 60.99 3fbb n SER 114 Cb 0.56 -1.47 0.23 0.00 -1.01 0.00 0.00 64.21 62.52 3fbb n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fbb n ASP 115 N 2.24 1.01 -3.46 6.43 5.68 -1.26 -4.72 116.55 122.46 3fbb n ASP 115 Ca 0.11 -0.80 -0.08 0.00 -0.50 0.00 0.00 54.79 53.52 3fbb n ASP 115 Cb 0.33 0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.61 3fbb n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fbb s SER 116 N -2.70 -0.07 0.16 -1.12 1.04 -1.26 -4.93 113.70 104.82 3fbb s SER 116 Ca 0.18 -0.90 -0.13 0.00 0.48 0.00 0.00 55.95 55.57 3fbb s SER 116 Cb 0.18 0.76 0.05 0.00 0.10 0.00 0.00 66.02 67.12 3fbb s SER 116 CO 0.62 -1.47 1.73 -0.33 0.98 0.00 0.00 173.24 174.77 3fbb h GLU 117 N 2.03 0.78 0.29 4.02 5.08 -1.97 0.48 114.58 125.30 3fbb h GLU 117 Ca -0.25 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3fbb h GLU 117 Cb 1.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3fbb h GLU 117 CO 0.32 0.67 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.42 3fbb h ASP 118 N 0.72 -0.33 -0.85 1.42 3.32 -1.99 0.40 116.42 119.12 3fbb h ASP 118 Ca 0.18 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.23 3fbb h ASP 118 Cb 0.16 0.08 -0.11 0.00 0.22 0.00 0.00 39.33 39.68 3fbb h ASP 118 CO -0.02 -0.11 -0.58 0.28 -1.72 0.00 0.00 179.24 177.09 3fbb h SER 119 N -0.53 -2.08 0.02 6.45 0.02 -1.89 0.11 113.55 115.65 3fbb h SER 119 Ca -0.04 0.31 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3fbb h SER 119 Cb 0.39 0.91 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3fbb h SER 119 CO 0.06 -0.28 -0.08 0.00 -1.14 0.00 0.00 176.83 175.40 3fbb h ALA 120 N 0.38 -0.10 -0.35 3.77 0.00 0.17 0.36 119.26 123.48 3fbb h ALA 120 Ca 0.14 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3fbb h ALA 120 Cb 0.46 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3fbb h ALA 120 CO -0.85 -0.58 0.09 0.28 0.00 0.00 0.00 179.25 178.19 3fbb h VAL 121 N -0.15 0.86 0.27 0.00 2.07 -0.51 0.32 116.25 119.11 3fbb h VAL 121 Ca 0.02 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3fbb h VAL 121 Cb 0.18 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3fbb h VAL 121 CO -0.07 0.04 -0.23 -0.78 0.02 0.00 0.00 177.57 176.55 3fbb h ASP 122 N 0.22 -0.61 -0.26 0.57 3.58 -0.17 -2.61 116.42 117.14 3fbb h ASP 122 Ca 0.16 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 3fbb h ASP 122 Cb 0.16 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 3fbb h ASP 122 CO -0.19 -0.35 -0.23 -0.33 -2.88 0.00 0.00 179.24 175.26 3fbb h GLU 123 N -0.52 0.73 -0.95 0.28 5.08 0.12 -1.93 114.58 117.38 3fbb h GLU 123 Ca -0.01 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3fbb h GLU 123 Cb 0.47 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3fbb h GLU 123 CO -0.03 0.89 0.62 0.82 -1.00 0.00 0.00 179.01 180.32 3fbb h ILE 124 N 0.64 1.13 -0.67 3.13 2.04 -0.96 -1.73 117.51 121.08 3fbb h ILE 124 Ca 0.09 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3fbb h ILE 124 Cb 0.73 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3fbb h ILE 124 CO 0.06 0.21 0.20 0.28 0.00 0.00 0.00 178.15 178.90 3fbb h SER 125 N 1.16 0.97 0.14 1.72 0.02 -0.97 0.32 113.55 116.90 3fbb h SER 125 Ca 0.39 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3fbb h SER 125 Cb 0.09 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3fbb h SER 125 CO -0.14 0.91 -0.07 0.40 -1.14 0.00 0.00 176.83 176.80 3fbb h ILE 126 N 1.00 0.94 0.00 3.27 2.04 -0.84 -2.85 117.51 121.06 3fbb h ILE 126 Ca 0.22 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3fbb h ILE 126 Cb 0.30 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3fbb h ILE 126 CO -0.01 0.07 -1.04 -0.50 0.00 0.00 0.00 178.15 176.68 3fbb h TRP 127 N -0.33 0.00 -2.06 1.37 4.06 -1.26 -3.39 115.95 114.34 3fbb h TRP 127 Ca -0.02 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.38 3fbb h TRP 127 Cb 0.26 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.02 3fbb h TRP 127 CO -0.02 0.32 -0.99 1.19 -3.56 0.00 0.00 178.44 175.38 3fbb n PHE 128 N -2.88 0.93 -0.23 0.49 3.72 0.11 -4.97 117.46 114.63 3fbb n PHE 128 Ca -0.04 -3.78 0.23 0.00 -0.05 0.00 0.00 57.45 53.82 3fbb n PHE 128 Cb 0.70 -0.42 0.59 0.00 -0.94 0.00 0.00 39.48 39.41 3fbb n PHE 128 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3fbb h PRO 129 N 3.68 0.25 -0.00 -1.08 0.11 -1.64 -3.40 132.00 129.91 3fbb h PRO 129 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3fbb h PRO 129 Cb 0.83 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3fbb h PRO 129 CO 0.57 0.16 0.00 0.39 -0.21 0.00 0.00 178.00 178.92