#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbb n LEU 1 N 0.00 2.29 -4.16 0.99 4.77 -1.26 -2.23 117.00 117.40 3fbb n LEU 1 Ca 0.00 1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 57.05 3fbb n LEU 1 Cb 0.00 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 39.65 3fbb n LEU 1 CO 0.00 -1.08 -0.34 -1.10 -1.33 0.00 0.00 177.39 173.54 3fbb s GLN 2 N -1.30 0.88 0.04 3.23 -0.21 -0.19 -4.82 119.66 117.29 3fbb s GLN 2 Ca 0.61 -1.39 0.08 0.00 0.02 0.00 0.00 55.36 54.68 3fbb s GLN 2 Cb -0.69 -0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.28 3fbb s GLN 2 CO 0.58 -0.13 -0.21 1.03 -2.12 0.00 0.00 175.29 174.44 3fbb s ARG 3 N -3.93 2.01 0.17 2.91 1.81 -1.26 -2.09 118.95 118.57 3fbb s ARG 3 Ca 0.17 -1.01 0.02 0.00 -1.72 0.00 0.00 55.73 53.19 3fbb s ARG 3 Cb 0.07 -2.13 -0.05 0.00 -0.45 0.00 0.00 34.95 32.39 3fbb s ARG 3 CO -0.02 0.54 -0.00 -0.08 -0.68 0.00 0.00 175.30 175.05 3fbb s THR 4 N -0.86 0.68 -0.16 0.02 -1.32 -0.29 -4.72 115.64 108.98 3fbb s THR 4 Ca 0.13 -1.98 -0.05 0.00 -1.21 0.00 0.00 61.69 58.58 3fbb s THR 4 Cb -0.10 -2.09 -0.03 0.00 -1.51 0.00 0.00 72.50 68.76 3fbb s THR 4 CO 0.04 -0.50 -0.00 -0.22 -2.21 0.00 0.00 174.62 171.73 3fbb s LEU 5 N -3.17 3.46 -0.03 9.08 2.96 -1.26 -1.72 118.68 127.99 3fbb s LEU 5 Ca 0.23 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 3fbb s LEU 5 Cb 0.06 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3fbb s LEU 5 CO 0.03 0.17 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.29 3fbb s VAL 6 N 0.35 2.04 -0.11 1.68 1.01 0.51 -1.75 120.40 124.13 3fbb s VAL 6 Ca -0.02 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.88 3fbb s VAL 6 Cb -0.13 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3fbb s VAL 6 CO 0.02 0.57 -0.13 -0.76 0.00 0.00 0.00 175.10 174.80 3fbb s LEU 7 N -0.44 2.73 -0.36 3.92 1.43 0.03 -0.76 118.68 125.22 3fbb s LEU 7 Ca 0.05 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 3fbb s LEU 7 Cb -0.11 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3fbb s LEU 7 CO 0.01 0.20 0.53 -0.63 0.23 0.00 0.00 176.35 176.69 3fbb s ILE 8 N 0.12 5.00 0.67 -0.59 -1.09 0.28 -0.35 121.20 125.25 3fbb s ILE 8 Ca -0.06 0.29 -0.09 0.00 -2.23 0.00 0.00 60.65 58.55 3fbb s ILE 8 Cb -0.15 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.76 3fbb s ILE 8 CO 0.05 -0.27 1.02 -0.54 -1.23 0.00 0.00 174.94 173.97 3fbb s LYS 9 N 2.43 2.79 0.53 2.79 1.02 -0.38 -2.38 119.74 126.54 3fbb s LYS 9 Ca 0.19 0.22 0.23 0.00 0.02 0.00 0.00 55.97 56.63 3fbb s LYS 9 Cb -0.15 -2.12 1.46 0.00 -0.52 0.00 0.00 37.83 36.50 3fbb s LYS 9 CO 0.14 -0.96 2.14 -1.35 -0.92 0.00 0.00 175.35 174.40 3fbb h PRO 10 N -0.50 0.00 -0.42 -1.68 0.11 -1.82 -1.71 132.00 125.97 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 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3fbb h PRO 10 CO 0.63 0.06 0.19 0.38 -0.21 0.00 0.00 178.00 179.05 3fbb h ASP 11 N 0.00 0.52 -0.78 -2.05 2.03 -1.91 -1.71 116.42 112.52 3fbb h ASP 11 Ca -0.00 -0.04 0.08 0.00 -0.73 0.00 0.00 57.03 56.34 3fbb h ASP 11 Cb 0.13 -0.13 -0.07 0.00 -0.83 0.00 0.00 39.33 38.43 3fbb h ASP 11 CO 0.01 0.46 0.45 0.00 -1.03 0.00 0.00 179.24 179.12 3fbb h ALA 12 N 1.63 1.09 -0.33 4.15 0.00 -1.57 0.15 119.26 124.38 3fbb h ALA 12 Ca 0.15 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3fbb h ALA 12 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fbb h ALA 12 CO -0.02 0.10 -0.49 0.74 0.00 0.00 0.00 179.25 179.59 3fbb h PHE 13 N 0.78 1.11 -0.60 0.00 -1.00 -1.43 0.28 116.94 116.09 3fbb h PHE 13 Ca 0.37 -0.37 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3fbb h PHE 13 Cb 0.29 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 3fbb h PHE 13 CO -0.06 1.21 0.29 1.49 -1.61 0.00 0.00 178.31 179.62 3fbb h GLU 14 N 0.71 0.86 -0.28 1.51 4.22 -0.89 -2.89 114.58 117.82 3fbb h GLU 14 Ca 0.03 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3fbb h GLU 14 Cb 1.09 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3fbb h GLU 14 CO 0.11 0.69 0.00 0.54 -2.18 0.00 0.00 179.01 178.18 3fbb n ARG 15 N -4.53 1.96 -3.63 1.92 1.74 0.48 -4.95 116.66 109.65 3fbb n ARG 15 Ca 0.04 -1.45 -0.23 0.00 -0.77 0.00 0.00 57.85 55.43 3fbb n ARG 15 Cb 0.12 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.67 -4.47 -0.65 0.55 7.64 -0.01 -4.90 113.62 112.46 3fbb n SER 16 Ca 0.16 -0.64 0.06 0.00 1.01 0.00 0.00 58.87 59.47 3fbb n SER 16 Cb 0.39 -4.72 0.18 0.00 -1.01 0.00 0.00 64.21 59.05 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 -4.66 3.18 0.29 -3.43 4.77 0.78 -4.76 117.00 113.18 3fbb n LEU 17 Ca -0.09 -2.45 -0.16 0.00 -0.03 0.00 0.00 56.01 53.28 3fbb n LEU 17 Cb 0.59 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3fbb n LEU 17 CO 0.67 0.69 0.67 0.58 -1.33 0.00 0.00 177.39 178.66 3fbb h VAL 18 N 1.65 0.48 -0.94 4.08 2.07 -1.91 -1.44 116.25 120.24 3fbb h VAL 18 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3fbb h VAL 18 Cb 1.00 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3fbb h VAL 18 CO 0.09 0.01 0.60 0.00 0.02 0.00 0.00 177.57 178.29 3fbb h ALA 19 N -0.29 1.20 -0.97 1.67 0.00 -1.95 -1.52 119.26 117.40 3fbb h ALA 19 Ca -0.07 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3fbb h ALA 19 Cb 0.56 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3fbb h ALA 19 CO 0.12 0.62 0.63 1.49 0.00 0.00 0.00 179.25 182.11 3fbb h GLU 20 N 1.29 1.13 -0.00 0.00 4.57 -1.82 0.40 114.58 120.15 3fbb h GLU 20 Ca 0.34 -0.07 -0.19 0.00 -1.18 0.00 0.00 59.36 58.26 3fbb h GLU 20 Cb -0.10 -0.26 0.01 0.00 -0.16 0.00 0.00 28.75 28.25 3fbb h GLU 20 CO -0.07 0.75 -0.74 0.82 -1.18 0.00 0.00 179.01 178.60 3fbb h ILE 21 N 1.17 1.38 -0.08 2.32 2.04 -0.71 -2.92 117.51 120.70 3fbb h ILE 21 Ca 0.40 -2.12 -0.10 0.00 1.00 0.00 0.00 64.86 64.04 3fbb h ILE 21 Cb 0.10 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3fbb h ILE 21 CO -0.14 0.63 -0.40 0.24 0.00 0.00 0.00 178.15 178.48 3fbb h MET 22 N 0.06 0.18 -0.51 2.37 2.86 -1.02 -2.94 114.93 115.92 3fbb h MET 22 Ca -0.09 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3fbb h MET 22 Cb 1.43 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.06 3fbb h MET 22 CO 0.15 0.55 0.34 0.78 1.06 0.00 0.00 176.91 179.79 3fbb h GLY 23 N 1.20 0.72 1.10 8.32 0.00 -0.18 0.10 103.07 114.34 3fbb h GLY 23 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3fbb h GLY 23 CO 0.06 0.26 0.48 3.21 0.00 0.00 0.00 176.54 180.55 3fbb h ARG 24 N 0.70 1.18 -0.16 4.80 3.08 -1.33 0.45 114.38 123.09 3fbb h ARG 24 Ca 0.19 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 3fbb h ARG 24 Cb -0.08 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 29.74 3fbb h ARG 24 CO -0.04 0.85 -0.58 0.82 -1.07 0.00 0.00 179.97 179.96 3fbb h ILE 25 N 1.19 1.32 -0.55 2.04 2.04 -1.43 -2.80 117.51 119.32 3fbb h ILE 25 Ca 0.30 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.35 3fbb h ILE 25 Cb 0.01 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3fbb h ILE 25 CO -0.05 0.57 0.36 -0.08 0.00 0.00 0.00 178.15 178.95 3fbb h GLU 26 N 0.34 0.71 0.00 2.37 4.81 -0.29 -2.69 114.58 119.83 3fbb h GLU 26 Ca -0.03 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3fbb h GLU 26 Cb 1.21 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3fbb h GLU 26 CO 0.12 0.47 -0.11 0.87 -0.73 0.00 0.00 179.01 179.63 3fbb h LYS 27 N 0.73 0.00 -0.08 1.92 1.79 -0.06 0.61 116.57 121.48 3fbb h LYS 27 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3fbb h LYS 27 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3fbb h LYS 27 CO -0.06 0.11 0.00 1.17 -1.08 0.00 0.00 179.45 179.60 3fbb n LYS 28 N -3.72 1.23 -0.99 3.15 4.81 -1.02 -4.90 118.16 116.70 3fbb n LYS 28 Ca -0.02 -0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.07 3fbb n LYS 28 Cb 0.22 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.10 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 -0.31 -2.98 -4.86 3.14 4.05 0.21 -5.05 115.26 109.45 3fbb n ASN 29 Ca 0.08 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.78 3fbb n ASN 29 Cb 0.11 -0.50 -0.06 0.00 1.23 0.00 0.00 39.78 40.56 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 -2.00 3.44 -0.11 1.20 0.40 -1.17 -4.91 117.98 114.83 3fbb s PHE 30 Ca 0.00 1.04 -0.01 0.00 -0.60 0.00 0.00 56.93 57.36 3fbb s PHE 30 Cb 0.00 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 3fbb s PHE 30 CO 0.00 0.24 -0.06 0.15 0.70 0.00 0.00 175.22 176.24 3fbb s LYS 31 N -2.71 3.15 -0.13 0.44 3.01 -0.57 -4.50 119.74 118.41 3fbb s LYS 31 Ca 0.48 -0.55 -0.29 0.00 -1.01 0.00 0.00 55.97 54.60 3fbb s LYS 31 Cb -0.12 -2.71 -0.03 0.00 -1.01 0.00 0.00 37.83 33.96 3fbb s LYS 31 CO 0.20 0.47 1.50 0.42 0.51 0.00 0.00 175.35 178.45 3fbb s ILE 32 N -0.28 3.86 -0.16 2.17 1.01 -1.26 -0.93 121.20 125.61 3fbb s ILE 32 Ca 0.04 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.72 3fbb s ILE 32 Cb -0.13 -3.71 -0.23 0.00 0.01 0.00 0.00 42.46 38.40 3fbb s ILE 32 CO 0.02 -0.15 0.20 0.52 0.00 0.00 0.00 174.94 175.53 3fbb n VAL 33 N 5.67 1.63 -3.51 2.92 0.31 0.74 -4.95 118.33 121.13 3fbb n VAL 33 Ca 0.16 -0.67 -0.10 0.00 -0.01 0.00 0.00 64.34 63.72 3fbb n VAL 33 Cb 0.44 -1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 31.95 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 -6.58 -0.48 -0.26 4.52 1.04 -1.18 -4.99 113.70 105.78 3fbb s SER 34 Ca -0.22 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 55.85 3fbb s SER 34 Cb 0.07 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.86 3fbb s SER 34 CO 0.73 -0.97 0.80 -0.32 0.98 0.00 0.00 173.24 174.46 3fbb s MET 35 N -3.66 0.77 0.02 4.02 0.00 -1.26 -1.26 119.30 117.93 3fbb s MET 35 Ca 0.04 0.84 0.01 0.00 0.00 0.00 0.00 55.69 56.57 3fbb s MET 35 Cb -0.02 0.37 -0.01 0.00 0.00 0.00 0.00 34.83 35.17 3fbb s MET 35 CO -0.09 -0.11 -0.04 0.15 0.00 0.00 0.00 175.02 174.93 3fbb s LYS 36 N 0.21 0.33 -0.19 4.11 1.02 -0.47 -5.01 119.74 119.74 3fbb s LYS 36 Ca 0.00 -0.40 -0.04 0.00 0.02 0.00 0.00 55.97 55.55 3fbb s LYS 36 Cb -0.05 -0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 3fbb s LYS 36 CO -0.00 0.03 -0.03 0.12 -0.92 0.00 0.00 175.35 174.54 3fbb s PHE 37 N -0.76 2.98 -0.32 3.18 5.36 -1.26 -1.64 117.98 125.53 3fbb s PHE 37 Ca -0.06 -0.60 -0.05 0.00 -0.96 0.00 0.00 56.93 55.26 3fbb s PHE 37 Cb -0.06 -2.04 0.04 0.00 -0.34 0.00 0.00 43.02 40.62 3fbb s PHE 37 CO -0.00 -0.30 0.06 -1.58 -1.46 0.00 0.00 175.22 171.94 3fbb s TRP 38 N 0.98 3.23 0.57 10.12 0.52 -0.37 -4.95 118.94 129.05 3fbb s TRP 38 Ca 0.00 -1.50 0.27 0.00 0.02 0.00 0.00 56.10 54.89 3fbb s TRP 38 Cb -0.15 -2.22 1.60 0.00 -1.15 0.00 0.00 33.47 31.56 3fbb s TRP 38 CO 0.01 -0.73 2.12 0.66 0.02 0.00 0.00 176.95 179.03 3fbb h SER 39 N 8.15 0.00 -1.23 2.95 4.64 -1.92 -1.93 113.55 124.21 3fbb h SER 39 Ca -0.24 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3fbb h SER 39 Cb 1.08 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.96 3fbb h SER 39 CO 0.58 0.00 -0.15 -0.75 -0.87 0.00 0.00 176.83 175.64 3fbb s LYS 40 N -4.74 0.51 0.51 4.77 2.20 -1.26 -3.46 119.74 118.27 3fbb s LYS 40 Ca -0.05 1.05 -0.21 0.00 -0.36 0.00 0.00 55.97 56.40 3fbb s LYS 40 Cb 0.16 0.61 -0.06 0.00 -1.51 0.00 0.00 37.83 37.03 3fbb s LYS 40 CO 0.59 -0.41 1.20 0.00 -0.36 0.00 0.00 175.35 176.37 3fbb s ALA 41 N 2.85 2.83 0.36 3.13 0.00 -1.26 -4.95 121.76 124.72 3fbb s ALA 41 Ca 0.09 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 3fbb s ALA 41 Cb -0.13 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.46 3fbb s ALA 41 CO -0.19 -0.89 1.43 -2.14 0.00 0.00 0.00 175.76 173.97 3fbb s PRO 42 N -2.93 4.19 0.42 0.00 0.02 -1.26 -4.88 135.00 130.56 3fbb s PRO 42 Ca 0.69 2.46 0.08 0.00 0.02 0.00 0.00 61.00 64.24 3fbb s PRO 42 Cb -0.30 -3.00 0.89 0.00 0.02 0.00 0.00 34.50 32.10 3fbb s PRO 42 CO 0.36 -0.43 2.06 -0.09 -0.33 0.00 0.00 177.00 178.57 3fbb h ARG 43 N 3.18 0.49 0.00 5.54 2.43 -1.97 -2.36 114.38 121.69 3fbb h ARG 43 Ca -0.50 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.48 3fbb h ARG 43 Cb 1.23 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3fbb h ARG 43 CO 0.65 0.33 -0.74 -2.95 -1.51 0.00 0.00 179.97 175.75 3fbb h ASN 44 N 0.51 0.00 -0.12 -3.80 -1.07 -1.99 -1.82 115.58 107.29 3fbb h ASN 44 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.51 3fbb h ASN 44 Cb -0.05 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.20 3fbb h ASN 44 CO -0.03 0.74 0.08 -0.07 0.07 0.00 0.00 177.43 178.22 3fbb h LEU 45 N 0.00 0.14 -0.65 6.14 4.07 -1.81 -0.04 115.31 123.15 3fbb h LEU 45 Ca -0.01 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.97 3fbb h LEU 45 Cb 1.46 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 43.12 3fbb h LEU 45 CO 0.10 0.11 0.40 0.40 -1.08 0.00 0.00 178.44 178.36 3fbb h ILE 46 N 0.16 1.06 -0.58 1.22 1.08 -1.29 0.20 117.51 119.35 3fbb h ILE 46 Ca 0.04 -0.26 -0.07 0.00 -0.39 0.00 0.00 64.86 64.18 3fbb h ILE 46 Cb -0.01 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 3fbb h ILE 46 CO -0.01 0.14 0.09 -0.33 -0.69 0.00 0.00 178.15 177.35 3fbb h GLU 47 N 0.77 0.97 -0.21 2.37 5.08 -1.21 -0.12 114.58 122.24 3fbb h GLU 47 Ca 0.27 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3fbb h GLU 47 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3fbb h GLU 47 CO -0.12 0.93 0.11 1.96 -1.00 0.00 0.00 179.01 180.89 3fbb h GLN 48 N 0.87 0.23 -0.35 2.33 4.20 -0.48 0.98 115.11 122.88 3fbb h GLN 48 Ca 0.18 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.90 3fbb h GLN 48 Cb 0.43 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3fbb h GLN 48 CO 0.01 0.15 0.16 1.25 -0.67 0.00 0.00 178.83 179.73 3fbb h HIS 49 N 0.23 0.30 -0.82 2.96 2.76 -0.16 -2.39 115.15 118.02 3fbb h HIS 49 Ca 0.08 0.02 -0.32 0.00 -2.20 0.00 0.00 60.37 57.95 3fbb h HIS 49 Cb 0.01 -0.08 -0.19 0.00 1.55 0.00 0.00 27.41 28.70 3fbb h HIS 49 CO -0.09 0.15 0.40 0.66 -1.30 0.00 0.00 177.93 177.76 3fbb n TYR 50 N -4.96 2.65 -0.26 5.26 0.53 -0.10 -4.66 117.16 115.63 3fbb n TYR 50 Ca 0.01 -1.44 0.15 0.00 -1.02 0.00 0.00 57.90 55.60 3fbb n TYR 50 Cb 0.09 -0.78 0.44 0.00 -1.03 0.00 0.00 39.34 38.06 3fbb n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3fbb h LYS 51 N 2.05 0.54 0.00 -0.72 2.10 -0.26 0.11 116.57 120.39 3fbb h LYS 51 Ca 0.40 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 3fbb h LYS 51 Cb 2.52 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 33.73 3fbb h LYS 51 CO 0.86 0.36 0.00 0.39 -2.00 0.00 0.00 179.45 179.06 3fbb n GLU 52 N -4.56 0.14 0.00 0.07 1.02 -1.26 -2.66 120.64 113.39 3fbb n GLU 52 Ca 0.19 0.19 0.06 0.00 -0.02 0.00 0.00 57.16 57.58 3fbb n GLU 52 Cb 0.59 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.55 3fbb n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fbb n HIS 53 N -1.32 0.00 0.19 -0.32 8.25 0.36 -4.73 115.22 117.66 3fbb n HIS 53 Ca 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.56 3fbb n HIS 53 Cb 0.10 0.00 0.25 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 0.47 0.19 -0.81 0.41 3.41 -1.09 -0.63 113.62 115.58 3fbb n SER 54 Ca 0.06 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3fbb n SER 54 Cb 0.27 -0.61 0.30 0.00 -0.26 0.00 0.00 64.21 63.91 3fbb n SER 54 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fbb n GLU 55 N -1.74 2.08 -3.16 4.33 1.02 -1.26 -4.93 120.64 116.97 3fbb n GLU 55 Ca 0.01 -1.60 -0.30 0.00 -0.02 0.00 0.00 57.16 55.25 3fbb n GLU 55 Cb 0.07 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 3fbb n GLU 55 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3fbb s GLN 56 N -1.79 3.72 0.21 3.49 -1.52 0.19 -4.99 119.66 118.97 3fbb s GLN 56 Ca 0.34 0.23 -0.09 0.00 -1.95 0.00 0.00 55.36 53.90 3fbb s GLN 56 Cb 0.20 -2.54 0.26 0.00 -0.22 0.00 0.00 33.01 30.71 3fbb s GLN 56 CO 0.30 0.13 1.81 0.66 -0.25 0.00 0.00 175.29 177.94 3fbb h SER 57 N 1.64 0.56 1.28 5.90 4.64 -1.93 -2.44 113.55 123.20 3fbb h SER 57 Ca -0.47 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3fbb h SER 57 Cb 1.19 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3fbb h SER 57 CO 0.66 0.36 0.00 0.10 -0.87 0.00 0.00 176.83 177.08 3fbb h TYR 58 N 0.70 0.00 -0.72 4.77 -0.00 -1.94 -3.38 116.97 116.40 3fbb h TYR 58 Ca 0.31 0.00 0.16 0.00 0.00 0.00 0.00 58.73 59.20 3fbb h TYR 58 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 36.82 3fbb h TYR 58 CO -0.08 0.00 0.06 0.35 -0.00 0.00 0.00 178.16 178.49 3fbb h PHE 59 N 0.00 0.05 -0.24 0.10 3.04 -1.68 0.24 116.94 118.46 3fbb h PHE 59 Ca 0.00 0.05 -0.15 0.00 3.98 0.00 0.00 57.97 61.85 3fbb h PHE 59 Cb 0.64 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 3fbb h PHE 59 CO 0.00 -0.18 -0.47 -0.91 -2.02 0.00 0.00 178.31 174.73 3fbb h ASN 60 N 0.15 0.68 -0.25 0.41 2.35 -1.80 -1.68 115.58 115.44 3fbb h ASN 60 Ca 0.40 -0.33 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 3fbb h ASN 60 Cb 0.69 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3fbb h ASN 60 CO -0.59 1.04 -0.35 0.44 -1.65 0.00 0.00 177.43 176.32 3fbb h ASP 61 N 0.50 0.82 -0.34 5.81 3.32 -1.40 -1.84 116.42 123.30 3fbb h ASP 61 Ca 0.03 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 56.79 3fbb h ASP 61 Cb 1.00 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 3fbb h ASP 61 CO 0.09 1.09 -0.03 0.25 -1.72 0.00 0.00 179.24 178.93 3fbb h LEU 62 N 0.65 -0.20 -0.70 1.55 5.85 -0.33 0.24 115.31 122.38 3fbb h LEU 62 Ca 0.06 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3fbb h LEU 62 Cb 0.90 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3fbb h LEU 62 CO 0.08 -0.06 0.27 0.00 -0.34 0.00 0.00 178.44 178.39 3fbb h ASP 64 N 0.99 0.45 -0.27 0.00 3.32 -0.89 -2.80 116.42 117.23 3fbb h ASP 64 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3fbb h ASP 64 Cb 0.22 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3fbb h ASP 64 CO -0.02 0.32 0.17 0.15 -1.72 0.00 0.00 179.24 178.14 3fbb h PHE 65 N 0.56 0.35 0.00 4.55 -0.00 -0.47 -2.63 116.94 119.30 3fbb h PHE 65 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.16 3fbb h PHE 65 Cb 0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 35.85 3fbb h PHE 65 CO -0.07 0.24 0.00 -1.33 -0.00 0.00 0.00 178.31 177.16 3fbb n MET 66 N -4.88 0.02 0.00 1.11 2.81 -0.16 -1.76 117.12 114.25 3fbb n MET 66 Ca -0.02 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 3fbb n MET 66 Cb 0.04 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 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 -1.46 0.00 1.62 2.03 0.31 -1.08 -4.57 118.33 115.18 3fbb n VAL 67 Ca 0.02 -0.46 0.15 0.00 -0.01 0.00 0.00 64.34 64.04 3fbb n VAL 67 Cb 0.09 1.08 0.71 0.00 -0.91 0.00 0.00 33.84 34.80 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 -0.01 0.55 -2.39 4.52 3.41 -0.72 -4.77 113.62 114.20 3fbb n SER 68 Ca 0.00 -0.92 -0.01 0.00 -0.26 0.00 0.00 58.87 57.67 3fbb n SER 68 Cb 0.02 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 1.16 0.84 3.70 5.00 0.00 -1.26 -5.09 105.19 109.54 3fbb n GLY 69 Ca 0.19 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.03 1.32 0.05 1.61 0.02 -1.22 -4.57 135.00 130.17 3fbb s PRO 70 Ca 0.14 1.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.36 3fbb s PRO 70 Cb -0.02 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 3fbb s PRO 70 CO 0.03 -2.31 -0.03 0.96 -0.33 0.00 0.00 177.00 175.32 3fbb s ILE 71 N -2.78 0.22 -0.09 2.83 -4.36 -0.72 -3.15 121.20 113.14 3fbb s ILE 71 Ca 0.64 -1.72 0.03 0.00 -0.26 0.00 0.00 60.65 59.34 3fbb s ILE 71 Cb -0.20 -1.40 0.00 0.00 1.25 0.00 0.00 42.46 42.12 3fbb s ILE 71 CO 0.58 -0.95 -0.20 -0.63 0.24 0.00 0.00 174.94 173.98 3fbb s ILE 72 N -3.67 1.76 -0.14 8.37 1.01 -1.00 -1.23 121.20 126.30 3fbb s ILE 72 Ca 0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3fbb s ILE 72 Cb 0.06 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3fbb s ILE 72 CO -0.09 0.49 0.05 -0.94 0.00 0.00 0.00 174.94 174.45 3fbb s SER 73 N 0.48 5.59 0.00 3.58 1.04 -0.65 -0.55 113.70 123.19 3fbb s SER 73 Ca -0.17 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.43 3fbb s SER 73 Cb -0.17 -1.82 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 3fbb s SER 73 CO 0.07 0.28 -0.03 -0.63 0.98 0.00 0.00 173.24 173.90 3fbb s ILE 74 N -0.26 0.25 -0.23 -1.02 1.01 0.06 -1.37 121.20 119.64 3fbb s ILE 74 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 3fbb s ILE 74 Cb -0.12 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 3fbb s ILE 74 CO 0.02 -0.01 -0.02 -0.69 0.00 0.00 0.00 174.94 174.24 3fbb s VAL 75 N -0.28 3.58 0.03 2.92 1.01 -0.39 -0.36 120.40 126.91 3fbb s VAL 75 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3fbb s VAL 75 Cb -0.03 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3fbb s VAL 75 CO -0.00 0.40 0.02 -0.31 0.00 0.00 0.00 175.10 175.21 3fbb s TYR 76 N 1.51 3.10 -0.04 5.22 1.51 -0.70 -0.18 117.35 127.76 3fbb s TYR 76 Ca 0.06 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.22 3fbb s TYR 76 Cb -0.14 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 3fbb s TYR 76 CO -0.02 0.48 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.79 3fbb s GLU 77 N -1.86 1.29 0.00 -0.62 2.12 -0.10 -1.14 118.70 118.39 3fbb s GLU 77 Ca 0.23 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.17 3fbb s GLU 77 Cb -0.12 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.12 3fbb s GLU 77 CO 0.14 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.39 3fbb n GLY 78 N 3.40 -0.23 3.69 -1.50 0.00 -0.89 -1.52 105.19 108.15 3fbb n GLY 78 Ca -0.20 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 3fbb n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fbb n THR 79 N -0.12 0.31 -3.43 2.61 -1.04 -1.26 -1.02 114.28 110.33 3fbb n THR 79 Ca 0.00 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.05 61.71 3fbb n THR 79 Cb 0.00 -2.04 0.04 0.00 -1.82 0.00 0.00 70.33 66.51 3fbb n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3fbb n ASP 80 N 5.35 -5.48 -0.31 8.00 4.64 -0.95 -4.86 116.55 122.94 3fbb n ASP 80 Ca 0.18 -0.48 -0.04 0.00 -1.38 0.00 0.00 54.79 53.07 3fbb n ASP 80 Cb 0.36 -4.40 0.09 0.00 -1.04 0.00 0.00 41.12 36.13 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 1.00 1.15 0.67 -1.67 0.00 -1.75 -0.97 119.26 117.68 3fbb h ALA 81 Ca -0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3fbb h ALA 81 Cb 1.36 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fbb h ALA 81 CO 0.59 0.66 -0.34 0.82 0.00 0.00 0.00 179.25 180.97 3fbb h ILE 82 N 1.21 0.30 -0.18 0.00 2.04 -1.88 -1.29 117.51 117.71 3fbb h ILE 82 Ca 0.30 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 3fbb h ILE 82 Cb 0.09 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3fbb h ILE 82 CO -0.04 0.00 0.08 -1.28 0.00 0.00 0.00 178.15 176.91 3fbb h SER 83 N -0.93 0.24 -0.40 1.72 0.87 -1.86 -2.73 113.55 110.46 3fbb h SER 83 Ca -0.09 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 3fbb h SER 83 Cb 0.72 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3fbb h SER 83 CO 0.13 0.32 0.21 0.11 -0.53 0.00 0.00 176.83 177.07 3fbb h LYS 84 N 0.14 0.57 0.00 2.24 1.79 -1.14 -1.10 116.57 119.07 3fbb h LYS 84 Ca 0.06 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3fbb h LYS 84 Cb 0.15 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3fbb h LYS 84 CO -0.01 0.48 -0.15 0.82 -1.08 0.00 0.00 179.45 179.51 3fbb h ILE 85 N 0.51 0.48 -0.13 1.86 2.04 -1.29 -0.64 117.51 120.34 3fbb h ILE 85 Ca 0.14 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3fbb h ILE 85 Cb 0.09 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3fbb h ILE 85 CO -0.02 0.15 -0.06 0.03 0.00 0.00 0.00 178.15 178.25 3fbb h ARG 86 N 0.00 0.28 -0.78 2.37 2.47 -1.06 -1.27 114.38 116.38 3fbb h ARG 86 Ca -0.00 -0.12 0.03 0.00 -1.26 0.00 0.00 59.98 58.63 3fbb h ARG 86 Cb 0.52 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.78 3fbb h ARG 86 CO 0.02 0.60 0.50 0.00 0.56 0.00 0.00 179.97 181.65 3fbb h ARG 87 N -0.06 0.95 -0.78 0.04 3.08 -0.81 -1.07 114.38 115.73 3fbb h ARG 87 Ca 0.03 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3fbb h ARG 87 Cb 0.51 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 3fbb h ARG 87 CO 0.02 0.63 0.51 1.25 -1.07 0.00 0.00 179.97 181.31 3fbb h LEU 88 N 0.98 0.86 -0.44 3.04 5.85 -1.06 -2.02 115.31 122.52 3fbb h LEU 88 Ca 0.31 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3fbb h LEU 88 Cb -0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3fbb h LEU 88 CO -0.10 0.61 0.23 -0.61 -0.34 0.00 0.00 178.44 178.22 3fbb h GLN 89 N 1.01 0.63 0.00 1.25 4.15 -0.86 0.51 115.11 121.80 3fbb h GLN 89 Ca 0.30 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3fbb h GLN 89 Cb -0.05 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.52 3fbb h GLN 89 CO -0.09 0.52 0.00 0.41 -1.93 0.00 0.00 178.83 177.74 3fbb n GLY 90 N -0.94 1.37 3.33 2.39 0.00 -0.44 -1.42 105.19 109.48 3fbb n GLY 90 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 1.61 2.20 -1.26 -4.74 114.94 108.83 3fbb s ASN 91 Ca 0.00 -1.08 0.08 0.00 -0.94 0.00 0.00 52.86 50.92 3fbb s ASN 91 Cb 0.00 0.43 0.39 0.00 -2.00 0.00 0.00 41.25 40.08 3fbb s ASN 91 CO 0.00 -0.91 1.14 2.30 -2.94 0.00 0.00 177.10 176.69 3fbb n ILE 92 N -0.25 0.93 -0.02 0.54 -5.35 -1.26 -1.70 119.36 112.25 3fbb n ILE 92 Ca -0.03 0.23 -0.16 0.00 -0.27 0.00 0.00 62.75 62.52 3fbb n ILE 92 Cb 0.64 -1.10 -0.14 0.00 -1.74 0.00 0.00 39.64 37.30 3fbb n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3fbb n LEU 93 N -1.31 1.90 -4.33 7.28 4.77 -1.26 -4.72 117.00 119.33 3fbb n LEU 93 Ca 0.04 0.25 -0.45 0.00 -0.03 0.00 0.00 56.01 55.82 3fbb n LEU 93 Cb 0.07 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 3fbb n LEU 93 CO 0.06 0.68 0.10 0.42 -1.33 0.00 0.00 177.39 177.32 3fbb s THR 94 N -2.57 5.18 0.69 -5.08 -4.23 -1.01 -5.02 115.64 103.60 3fbb s THR 94 Ca -0.16 -1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 58.80 3fbb s THR 94 Cb 0.07 -4.26 0.02 0.00 1.34 0.00 0.00 72.50 69.67 3fbb s THR 94 CO 0.78 -0.79 1.23 -2.84 -0.54 0.00 0.00 174.62 172.47 3fbb s PRO 95 N 1.60 2.36 0.00 3.99 0.02 -1.26 -3.22 135.00 138.49 3fbb s PRO 95 Ca 0.03 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3fbb s PRO 95 Cb -0.28 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3fbb s PRO 95 CO 0.04 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 3fbb n GLY 96 N 0.55 2.91 4.01 0.52 0.00 -1.26 -4.94 105.19 106.99 3fbb n GLY 96 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.67 2.60 0.04 2.61 -4.23 -1.20 -4.91 115.64 107.89 3fbb s THR 97 Ca 0.00 -0.94 -0.26 0.00 -1.18 0.00 0.00 61.69 59.31 3fbb s THR 97 Cb 0.00 -2.66 -0.17 0.00 1.34 0.00 0.00 72.50 71.01 3fbb s THR 97 CO 0.00 0.00 1.49 0.40 -0.54 0.00 0.00 174.62 175.97 3fbb h ILE 98 N 0.33 0.83 -0.19 2.99 2.04 -0.94 0.63 117.51 123.22 3fbb h ILE 98 Ca -0.36 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.02 3fbb h ILE 98 Cb 1.28 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3fbb h ILE 98 CO 0.44 0.08 -0.42 0.03 0.00 0.00 0.00 178.15 178.28 3fbb h ARG 99 N -0.48 0.43 -0.66 2.37 3.08 -1.47 -1.43 114.38 116.22 3fbb h ARG 99 Ca -0.03 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.83 3fbb h ARG 99 Cb 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3fbb h ARG 99 CO 0.05 0.78 0.41 0.78 -1.07 0.00 0.00 179.97 180.92 3fbb h GLY 100 N 1.13 0.95 1.16 0.04 0.00 -1.15 -2.15 103.07 103.05 3fbb h GLY 100 Ca 0.03 -0.31 -0.31 0.00 0.00 0.00 0.00 47.33 46.75 3fbb h GLY 100 CO 0.07 0.25 -1.59 -0.55 0.00 0.00 0.00 176.54 174.73 3fbb h ASP 101 N 0.79 0.34 0.00 0.19 3.32 -0.82 -3.40 116.42 116.84 3fbb h ASP 101 Ca 0.27 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3fbb h ASP 101 Cb 0.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3fbb h ASP 101 CO -0.11 1.43 -0.55 0.18 -1.72 0.00 0.00 179.24 178.47 3fbb n LEU 102 N -3.41 0.12 -4.44 1.55 4.77 -0.55 -5.02 117.00 110.02 3fbb n LEU 102 Ca -0.18 -0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 55.20 3fbb n LEU 102 Cb 1.04 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 42.01 3fbb n LEU 102 CO 0.49 0.03 -0.53 0.00 -1.33 0.00 0.00 177.39 176.05 3fbb s ALA 103 N -1.71 2.54 -0.22 -1.18 0.00 -0.81 -5.02 121.76 115.35 3fbb s ALA 103 Ca 0.00 -1.48 0.22 0.00 0.00 0.00 0.00 51.96 50.70 3fbb s ALA 103 Cb 0.03 -0.47 0.47 0.00 0.00 0.00 0.00 23.12 23.16 3fbb s ALA 103 CO 0.16 0.52 1.17 -1.71 0.00 0.00 0.00 175.76 175.90 3fbb n ASN 104 N 0.67 1.08 -3.89 0.00 5.15 -1.26 -4.73 115.26 112.29 3fbb n ASN 104 Ca -0.16 -2.04 -0.11 0.00 -0.60 0.00 0.00 54.58 51.68 3fbb n ASN 104 Cb 0.54 -0.30 -0.10 0.00 -0.53 0.00 0.00 39.78 39.38 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 -3.16 0.06 0.11 1.20 -1.08 -1.26 -5.03 116.67 107.52 3fbb s ASP 105 Ca 0.25 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.31 3fbb s ASP 105 Cb 0.34 0.19 1.00 0.00 -1.46 0.00 0.00 42.92 42.99 3fbb s ASP 105 CO -0.07 -0.35 1.84 0.00 0.52 0.00 0.00 175.17 177.11 3fbb n ILE 106 N 1.51 0.35 -0.02 4.11 3.06 -1.26 -4.07 119.36 123.03 3fbb n ILE 106 Ca -0.23 -0.13 -0.03 0.00 -2.50 0.00 0.00 62.75 59.86 3fbb n ILE 106 Cb 0.55 -0.57 -0.02 0.00 0.54 0.00 0.00 39.64 40.14 3fbb n ILE 106 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3fbb n GLY 107 N 1.33 -0.06 3.42 4.50 0.00 -1.26 -4.87 105.19 108.24 3fbb n GLY 107 Ca 0.06 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.08 3.90 -0.15 1.61 2.02 -1.26 -4.80 118.70 117.94 3fbb s GLU 108 Ca -0.06 -2.44 0.14 0.00 0.02 0.00 0.00 54.97 52.64 3fbb s GLU 108 Cb 0.02 -4.84 0.36 0.00 0.10 0.00 0.00 34.13 29.77 3fbb s GLU 108 CO 0.09 -1.60 1.18 0.27 0.02 0.00 0.00 175.26 175.21 3fbb n ASN 109 N 5.13 1.72 0.00 -0.19 0.23 -1.26 -4.10 115.26 116.79 3fbb n ASN 109 Ca 0.27 -3.33 0.00 0.00 -0.53 0.00 0.00 54.58 50.99 3fbb n ASN 109 Cb 0.45 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.97 0.00 -3.77 -4.53 4.77 -1.26 -4.77 117.00 106.47 3fbb n LEU 110 Ca 0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3fbb n LEU 110 Cb 0.73 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 3fbb n LEU 110 CO -0.02 0.00 0.00 -0.51 -1.33 0.00 0.00 177.39 175.53 3fbb s ILE 111 N 0.00 0.04 -0.01 -0.08 2.07 -1.26 -1.25 121.20 120.71 3fbb s ILE 111 Ca 0.00 -0.30 0.06 0.00 -1.41 0.00 0.00 60.65 59.00 3fbb s ILE 111 Cb 0.00 -0.54 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3fbb s ILE 111 CO 0.00 -0.17 -0.20 -2.28 -1.91 0.00 0.00 174.94 170.38 3fbb s HIS 112 N -0.74 2.51 -0.02 3.50 5.65 0.53 -4.95 115.29 121.77 3fbb s HIS 112 Ca -0.08 -0.30 0.01 0.00 0.25 0.00 0.00 55.06 54.95 3fbb s HIS 112 Cb -0.04 -1.53 0.01 0.00 -1.18 0.00 0.00 32.58 29.83 3fbb s HIS 112 CO 0.03 0.12 -0.05 0.00 -0.65 0.00 0.00 174.74 174.19 3fbb s ALA 113 N -0.74 0.51 0.48 1.58 0.00 -1.26 -0.79 121.76 121.54 3fbb s ALA 113 Ca 0.12 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 3fbb s ALA 113 Cb -0.10 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.72 3fbb s ALA 113 CO 0.01 0.07 1.17 0.43 0.00 0.00 0.00 175.76 177.44 3fbb n SER 114 N 3.34 1.93 -0.75 0.00 7.64 -0.72 -4.93 113.62 120.13 3fbb n SER 114 Ca -0.18 1.01 0.08 0.00 1.01 0.00 0.00 58.87 60.79 3fbb n SER 114 Cb 0.55 -1.46 0.12 0.00 -1.01 0.00 0.00 64.21 62.41 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 -0.14 2.69 -3.77 6.43 5.68 -1.26 -4.76 116.55 121.42 3fbb n ASP 115 Ca 0.09 -1.79 -0.06 0.00 -0.50 0.00 0.00 54.79 52.53 3fbb n ASP 115 Cb 0.42 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.27 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 -1.25 -0.26 0.28 -1.12 1.04 -1.26 -4.95 113.70 106.18 3fbb s SER 116 Ca 0.24 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 3fbb s SER 116 Cb 0.15 0.62 0.38 0.00 0.10 0.00 0.00 66.02 67.27 3fbb s SER 116 CO 0.21 -1.12 1.91 -0.33 0.98 0.00 0.00 173.24 174.89 3fbb h GLU 117 N 2.00 1.06 -0.15 4.02 5.08 -1.96 0.21 114.58 124.84 3fbb h GLU 117 Ca -0.22 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 3fbb h GLU 117 Cb 1.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3fbb h GLU 117 CO 0.25 0.77 -0.37 -0.44 -1.00 0.00 0.00 179.01 178.22 3fbb h ASP 118 N 1.07 0.59 0.40 1.42 3.32 -1.99 0.00 116.42 121.24 3fbb h ASP 118 Ca 0.27 -0.58 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 3fbb h ASP 118 Cb 0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3fbb h ASP 118 CO -0.04 1.06 -0.48 0.77 -1.72 0.00 0.00 179.24 178.83 3fbb h SER 119 N 0.15 0.10 -0.02 6.45 4.64 -1.89 -0.87 113.55 122.11 3fbb h SER 119 Ca -0.00 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3fbb h SER 119 Cb 0.98 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3fbb h SER 119 CO 0.08 0.57 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 3fbb h ALA 120 N 1.44 0.03 -0.54 5.18 0.00 -0.43 0.32 119.26 125.25 3fbb h ALA 120 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3fbb h ALA 120 Cb 0.88 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3fbb h ALA 120 CO 0.07 -0.32 0.34 0.28 0.00 0.00 0.00 179.25 179.62 3fbb h VAL 121 N -0.25 1.10 0.68 0.00 2.07 -0.89 0.13 116.25 119.09 3fbb h VAL 121 Ca 0.01 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3fbb h VAL 121 Cb 0.30 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3fbb h VAL 121 CO 0.00 0.13 -0.32 -0.78 0.02 0.00 0.00 177.57 176.61 3fbb h ASP 122 N 0.69 -0.77 -0.65 0.57 3.58 -1.11 -2.52 116.42 116.21 3fbb h ASP 122 Ca 0.21 -0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.74 3fbb h ASP 122 Cb -0.03 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 3fbb h ASP 122 CO -0.07 -0.44 0.43 -0.33 -2.88 0.00 0.00 179.24 175.96 3fbb h GLU 123 N -1.10 0.51 -0.60 0.28 5.08 -0.20 0.18 114.58 118.73 3fbb h GLU 123 Ca -0.09 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3fbb h GLU 123 Cb 0.73 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3fbb h GLU 123 CO 0.15 0.34 0.02 0.82 -1.00 0.00 0.00 179.01 179.34 3fbb h ILE 124 N 0.52 1.26 -0.07 3.13 2.04 -0.73 -2.21 117.51 121.45 3fbb h ILE 124 Ca 0.30 -1.11 -0.12 0.00 1.00 0.00 0.00 64.86 64.93 3fbb h ILE 124 Cb 0.48 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3fbb h ILE 124 CO -0.09 0.41 -0.50 0.77 0.00 0.00 0.00 178.15 178.73 3fbb h SER 125 N 0.95 0.20 0.12 1.72 4.64 -0.56 0.50 113.55 121.12 3fbb h SER 125 Ca 0.17 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3fbb h SER 125 Cb 0.52 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3fbb h SER 125 CO 0.03 0.67 -0.06 0.40 -0.87 0.00 0.00 176.83 176.99 3fbb h ILE 126 N 0.15 0.88 0.00 0.95 2.04 -0.99 -2.66 117.51 117.87 3fbb h ILE 126 Ca 0.01 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 3fbb h ILE 126 Cb 0.93 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3fbb h ILE 126 CO 0.07 0.00 -1.13 -0.50 0.00 0.00 0.00 178.15 176.60 3fbb h TRP 127 N -0.16 0.00 -2.09 1.37 4.06 -1.28 -3.38 115.95 114.47 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 0.13 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 27.88 3fbb h TRP 127 CO -0.07 0.58 -0.94 1.19 -3.56 0.00 0.00 178.44 175.64 3fbb n PHE 128 N -3.01 1.39 -0.16 0.49 3.72 0.17 -4.95 117.46 115.12 3fbb n PHE 128 Ca -0.06 -3.83 0.02 0.00 -0.05 0.00 0.00 57.45 53.53 3fbb n PHE 128 Cb 0.81 -0.44 0.30 0.00 -0.94 0.00 0.00 39.48 39.21 3fbb n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fbb h PRO 129 N 3.63 0.87 0.00 -1.08 0.13 -1.63 -1.28 132.00 132.64 3fbb h PRO 129 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3fbb h PRO 129 Cb 0.79 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3fbb h PRO 129 CO 0.61 0.57 0.00 -0.85 -0.23 0.00 0.00 178.00 178.11 3fbb n GLU 130 N -4.44 0.00 -0.39 0.86 0.00 -1.26 -5.02 120.64 110.39 3fbb n GLU 130 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 3fbb n GLU 130 Cb 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 31.44 30.54 3fbb n GLU 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54