#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbb n GLY 0 N 0.00 5.07 3.66 0.00 0.00 -1.26 -5.07 105.19 107.59 3fbb n GLY 0 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3fbb n GLY 0 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fbb s LEU 1 N -3.28 4.27 0.38 0.99 2.96 -1.26 -0.92 118.68 121.81 3fbb s LEU 1 Ca 0.44 2.18 0.04 0.00 -0.22 0.00 0.00 54.13 56.57 3fbb s LEU 1 Cb 0.40 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.50 3fbb s LEU 1 CO -0.02 -0.98 0.05 -1.10 -1.32 0.00 0.00 176.35 172.98 3fbb s GLN 2 N 4.16 1.83 0.03 1.98 -0.21 -0.05 -4.88 119.66 122.51 3fbb s GLN 2 Ca 0.74 -2.06 0.07 0.00 0.02 0.00 0.00 55.36 54.13 3fbb s GLN 2 Cb -0.33 -1.08 -0.02 0.00 1.00 0.00 0.00 33.01 32.58 3fbb s GLN 2 CO 0.30 -0.22 -0.20 1.03 -2.12 0.00 0.00 175.29 174.08 3fbb s ARG 3 N -3.82 1.44 0.12 2.91 0.52 -1.26 -2.11 118.95 116.75 3fbb s ARG 3 Ca 0.31 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 3fbb s ARG 3 Cb 0.07 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.00 3fbb s ARG 3 CO 0.14 0.39 0.00 -0.08 0.02 0.00 0.00 175.30 175.78 3fbb s THR 4 N -0.70 0.37 -0.19 0.02 -1.32 -0.45 -4.70 115.64 108.67 3fbb s THR 4 Ca 0.07 -1.91 -0.04 0.00 -1.21 0.00 0.00 61.69 58.60 3fbb s THR 4 Cb -0.08 -1.89 -0.02 0.00 -1.51 0.00 0.00 72.50 68.99 3fbb s THR 4 CO 0.01 -0.65 -0.03 -0.22 -2.21 0.00 0.00 174.62 171.52 3fbb s LEU 5 N -3.05 3.15 -0.10 9.08 0.20 -1.26 -1.02 118.68 125.68 3fbb s LEU 5 Ca 0.18 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.80 3fbb s LEU 5 Cb 0.07 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 3fbb s LEU 5 CO -0.01 0.09 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.29 3fbb s VAL 6 N 0.86 2.92 -0.12 1.68 1.01 0.80 -1.85 120.40 125.70 3fbb s VAL 6 Ca -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3fbb s VAL 6 Cb -0.14 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3fbb s VAL 6 CO 0.02 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 174.88 3fbb s LEU 7 N -0.02 3.34 -0.28 3.92 1.43 0.09 0.05 118.68 127.22 3fbb s LEU 7 Ca -0.04 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 3fbb s LEU 7 Cb -0.14 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3fbb s LEU 7 CO 0.04 0.27 0.42 -0.63 0.23 0.00 0.00 176.35 176.68 3fbb s ILE 8 N -0.25 5.13 0.59 -0.59 -1.09 0.20 -0.76 121.20 124.43 3fbb s ILE 8 Ca 0.05 0.60 -0.08 0.00 -2.23 0.00 0.00 60.65 58.98 3fbb s ILE 8 Cb -0.13 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 3fbb s ILE 8 CO 0.02 0.09 0.94 -0.54 -1.23 0.00 0.00 174.94 174.23 3fbb s LYS 9 N 2.16 3.34 0.52 2.79 1.02 0.10 -2.70 119.74 126.97 3fbb s LYS 9 Ca 0.17 0.40 0.20 0.00 0.02 0.00 0.00 55.97 56.76 3fbb s LYS 9 Cb -0.16 -2.19 1.32 0.00 -0.52 0.00 0.00 37.83 36.28 3fbb s LYS 9 CO 0.10 -0.56 2.07 -1.35 -0.92 0.00 0.00 175.35 174.70 3fbb h PRO 10 N -0.18 0.01 0.00 -1.68 0.11 -1.84 -0.42 132.00 128.00 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 1.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fbb h PRO 10 CO 0.62 0.01 -0.09 0.38 -0.21 0.00 0.00 178.00 178.71 3fbb h ASP 11 N 0.02 0.00 -0.33 -2.05 2.03 -1.91 -1.70 116.42 112.47 3fbb h ASP 11 Ca 0.12 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.28 3fbb h ASP 11 Cb 0.48 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 3fbb h ASP 11 CO -0.00 0.09 -0.33 0.00 -1.03 0.00 0.00 179.24 177.96 3fbb h ALA 12 N 1.91 0.69 -0.15 4.15 0.00 -1.33 -0.05 119.26 124.48 3fbb h ALA 12 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 3fbb h ALA 12 Cb 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fbb h ALA 12 CO 0.01 0.67 -0.67 0.74 0.00 0.00 0.00 179.25 179.99 3fbb h PHE 13 N 0.72 0.97 -0.87 0.00 -1.00 -1.54 0.39 116.94 115.62 3fbb h PHE 13 Ca 0.07 -0.42 0.00 0.00 2.81 0.00 0.00 57.97 60.43 3fbb h PHE 13 Cb 0.90 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.26 3fbb h PHE 13 CO 0.05 1.24 0.54 1.49 -1.61 0.00 0.00 178.31 180.02 3fbb h GLU 14 N 0.42 1.16 -0.09 1.51 4.57 -1.26 -2.45 114.58 118.45 3fbb h GLU 14 Ca -0.04 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3fbb h GLU 14 Cb 1.31 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3fbb h GLU 14 CO 0.14 0.79 0.00 0.54 -1.18 0.00 0.00 179.01 179.30 3fbb n ARG 15 N -4.38 2.07 -3.44 1.92 1.74 -0.04 -4.95 116.66 109.58 3fbb n ARG 15 Ca 0.10 -1.57 -0.22 0.00 -0.77 0.00 0.00 57.85 55.38 3fbb n ARG 15 Cb 0.04 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.88 -6.01 -1.14 0.55 7.64 -0.18 -4.92 113.62 110.44 3fbb n SER 16 Ca 0.17 -0.47 0.09 0.00 1.01 0.00 0.00 58.87 59.67 3fbb n SER 16 Cb 0.49 -4.66 0.27 0.00 -1.01 0.00 0.00 64.21 59.31 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 -4.53 3.85 0.17 -3.43 4.77 0.12 -4.73 117.00 113.22 3fbb n LEU 17 Ca -0.01 -2.23 -0.14 0.00 -0.03 0.00 0.00 56.01 53.60 3fbb n LEU 17 Cb 0.56 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3fbb n LEU 17 CO 0.58 0.82 0.74 0.58 -1.33 0.00 0.00 177.39 178.78 3fbb h VAL 18 N 3.24 0.74 -0.38 4.08 2.07 -1.91 -1.31 116.25 122.79 3fbb h VAL 18 Ca 0.00 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 3fbb h VAL 18 Cb 1.08 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3fbb h VAL 18 CO 0.09 0.03 -0.13 0.00 0.02 0.00 0.00 177.57 177.58 3fbb h ALA 19 N 0.26 1.07 -0.52 1.67 0.00 -1.94 -1.59 119.26 118.21 3fbb h ALA 19 Ca -0.04 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.59 3fbb h ALA 19 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3fbb h ALA 19 CO 0.06 0.57 0.31 1.49 0.00 0.00 0.00 179.25 181.68 3fbb h GLU 20 N 0.61 0.59 -0.16 0.00 4.57 -1.83 0.15 114.58 118.52 3fbb h GLU 20 Ca 0.10 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 3fbb h GLU 20 Cb 0.58 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3fbb h GLU 20 CO 0.04 0.39 -0.23 0.82 -1.18 0.00 0.00 179.01 178.85 3fbb h ILE 21 N 0.61 1.35 -0.29 2.32 2.04 -1.00 -2.95 117.51 119.59 3fbb h ILE 21 Ca 0.21 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 3fbb h ILE 21 Cb 0.03 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3fbb h ILE 21 CO -0.10 0.43 -0.11 0.24 0.00 0.00 0.00 178.15 178.61 3fbb h MET 22 N 0.06 0.49 -0.31 2.37 2.86 -1.13 -2.87 114.93 116.39 3fbb h MET 22 Ca 0.02 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 3fbb h MET 22 Cb 0.80 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 3fbb h MET 22 CO 0.05 0.60 -0.15 0.78 1.06 0.00 0.00 176.91 179.25 3fbb h GLY 23 N 0.91 0.59 1.73 8.32 0.00 -0.69 0.94 103.07 114.86 3fbb h GLY 23 Ca 0.09 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3fbb h GLY 23 CO 0.03 0.40 -0.18 3.21 0.00 0.00 0.00 176.54 180.00 3fbb h ARG 24 N 0.50 0.33 0.13 4.80 3.08 -1.33 0.12 114.38 122.01 3fbb h ARG 24 Ca 0.09 -0.10 -0.29 0.00 0.07 0.00 0.00 59.98 59.75 3fbb h ARG 24 Cb 0.56 -0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.59 3fbb h ARG 24 CO 0.04 0.51 -1.25 0.82 -1.07 0.00 0.00 179.97 179.01 3fbb h ILE 25 N 0.30 1.38 -0.56 2.04 2.04 -1.35 -3.15 117.51 118.22 3fbb h ILE 25 Ca 0.05 -2.74 -0.02 0.00 1.00 0.00 0.00 64.86 63.16 3fbb h ILE 25 Cb 0.50 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 3fbb h ILE 25 CO 0.03 0.81 0.29 -0.08 0.00 0.00 0.00 178.15 179.21 3fbb h GLU 26 N 0.17 0.79 0.00 2.37 4.81 -0.48 -2.93 114.58 119.30 3fbb h GLU 26 Ca -0.17 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3fbb h GLU 26 Cb 1.94 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.16 3fbb h GLU 26 CO 0.22 0.62 -0.12 0.87 -0.73 0.00 0.00 179.01 179.88 3fbb h LYS 27 N 0.75 0.00 -0.16 1.92 1.79 -0.82 -1.03 116.57 119.03 3fbb h LYS 27 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3fbb h LYS 27 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3fbb h LYS 27 CO -0.03 0.12 0.00 1.17 -1.08 0.00 0.00 179.45 179.63 3fbb n LYS 28 N -3.60 1.43 -2.31 3.15 4.81 -1.12 -4.90 118.16 115.63 3fbb n LYS 28 Ca -0.02 -0.67 -0.04 0.00 -0.87 0.00 0.00 58.31 56.72 3fbb n LYS 28 Cb 0.24 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.07 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 -0.02 -2.27 -4.89 3.14 4.05 -0.39 -5.06 115.26 109.82 3fbb n ASN 29 Ca 0.10 -0.04 -0.34 0.00 0.45 0.00 0.00 54.58 54.75 3fbb n ASN 29 Cb 0.18 -1.35 -0.05 0.00 1.23 0.00 0.00 39.78 39.80 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 -2.52 3.57 -0.09 1.20 0.40 -1.16 -4.88 117.98 114.49 3fbb s PHE 30 Ca 0.04 0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 3fbb s PHE 30 Cb -0.02 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 3fbb s PHE 30 CO 0.05 0.60 -0.04 0.15 0.70 0.00 0.00 175.22 176.69 3fbb s LYS 31 N -1.86 3.04 0.18 0.44 -0.14 -0.68 -4.50 119.74 116.22 3fbb s LYS 31 Ca 0.29 -0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 54.10 3fbb s LYS 31 Cb -0.13 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.19 3fbb s LYS 31 CO 0.17 0.58 1.49 0.42 -0.76 0.00 0.00 175.35 177.26 3fbb s ILE 32 N -0.58 2.79 -0.06 2.17 1.01 -1.26 -0.95 121.20 124.33 3fbb s ILE 32 Ca 0.09 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.35 3fbb s ILE 32 Cb -0.12 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3fbb s ILE 32 CO 0.02 0.06 -0.03 0.52 0.00 0.00 0.00 174.94 175.51 3fbb n VAL 33 N 3.49 0.37 -3.77 2.92 0.31 -0.28 -4.91 118.33 116.45 3fbb n VAL 33 Ca 0.11 -0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.16 3fbb n VAL 33 Cb 0.40 -0.78 -0.07 0.00 -0.91 0.00 0.00 33.84 32.48 3fbb n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3fbb s SER 34 N -4.30 -0.08 -0.20 4.52 0.01 -1.20 -4.99 113.70 107.46 3fbb s SER 34 Ca -0.07 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 3fbb s SER 34 Cb 0.02 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.65 3fbb s SER 34 CO 0.17 -0.63 0.52 -0.32 0.41 0.00 0.00 173.24 173.39 3fbb s MET 35 N -2.73 0.60 -0.00 12.44 0.00 -1.26 -0.73 119.30 127.61 3fbb s MET 35 Ca -0.04 0.74 0.03 0.00 0.00 0.00 0.00 55.69 56.42 3fbb s MET 35 Cb -0.00 0.28 -0.01 0.00 0.00 0.00 0.00 34.83 35.10 3fbb s MET 35 CO -0.05 -0.08 -0.08 0.15 0.00 0.00 0.00 175.02 174.97 3fbb s LYS 36 N 0.35 0.65 -0.21 4.11 1.02 -0.10 -4.99 119.74 120.56 3fbb s LYS 36 Ca -0.01 -0.31 -0.09 0.00 0.02 0.00 0.00 55.97 55.59 3fbb s LYS 36 Cb -0.04 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 3fbb s LYS 36 CO -0.00 0.17 0.10 0.12 -0.92 0.00 0.00 175.35 174.82 3fbb s PHE 37 N -0.23 3.26 -0.28 3.18 5.36 -1.26 -1.34 117.98 126.68 3fbb s PHE 37 Ca 0.03 0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 56.06 3fbb s PHE 37 Cb -0.03 -2.16 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3fbb s PHE 37 CO -0.00 0.07 -0.04 -1.58 -1.46 0.00 0.00 175.22 172.21 3fbb s TRP 38 N 0.74 3.18 0.36 10.12 0.52 -0.05 -4.98 118.94 128.84 3fbb s TRP 38 Ca 0.05 -1.79 0.03 0.00 0.02 0.00 0.00 56.10 54.41 3fbb s TRP 38 Cb -0.13 -2.07 0.66 0.00 -1.15 0.00 0.00 33.47 30.78 3fbb s TRP 38 CO 0.02 -0.78 1.99 0.66 0.02 0.00 0.00 176.95 178.86 3fbb h SER 39 N 7.98 0.66 -3.23 2.95 4.64 -1.91 -0.90 113.55 123.74 3fbb h SER 39 Ca -0.26 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 60.83 3fbb h SER 39 Cb 1.08 -0.17 -0.30 0.00 -0.31 0.00 0.00 62.40 62.70 3fbb h SER 39 CO 0.54 0.51 -0.49 -0.75 -0.87 0.00 0.00 176.83 175.77 3fbb s LYS 40 N -5.57 0.19 0.15 4.77 2.20 -1.26 -2.59 119.74 117.63 3fbb s LYS 40 Ca -0.09 0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 55.88 3fbb s LYS 40 Cb 0.17 -0.10 -0.08 0.00 -1.51 0.00 0.00 37.83 36.32 3fbb s LYS 40 CO 0.76 -0.19 0.71 0.00 -0.36 0.00 0.00 175.35 176.27 3fbb s ALA 41 N 1.55 3.49 0.13 3.13 0.00 -1.26 -5.00 121.76 123.80 3fbb s ALA 41 Ca -0.07 0.24 -0.32 0.00 0.00 0.00 0.00 51.96 51.81 3fbb s ALA 41 Cb -0.11 -2.84 -0.12 0.00 0.00 0.00 0.00 23.12 20.05 3fbb s ALA 41 CO -0.09 0.33 1.76 -2.30 0.00 0.00 0.00 175.76 175.47 3fbb n PRO 42 N 1.50 2.59 -0.32 0.00 -0.02 -1.26 -4.80 135.00 132.69 3fbb n PRO 42 Ca -0.07 0.94 0.23 0.00 -2.02 0.00 0.00 63.50 62.58 3fbb n PRO 42 Cb 0.50 -2.80 0.51 0.00 -0.02 0.00 0.00 33.50 31.69 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 7.69 0.38 -0.40 -0.52 2.43 -1.96 0.29 114.38 122.29 3fbb h ARG 43 Ca -0.46 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 3fbb h ARG 43 Cb 1.23 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3fbb h ARG 43 CO 0.94 0.25 0.08 -0.97 -1.51 0.00 0.00 179.97 178.76 3fbb h ASN 44 N 0.39 0.55 -0.40 -3.80 -0.73 -1.99 0.18 115.58 109.78 3fbb h ASN 44 Ca 0.59 -0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.64 3fbb h ASN 44 Cb 1.50 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.93 3fbb h ASN 44 CO -0.29 0.57 0.09 -0.07 -0.37 0.00 0.00 177.43 177.35 3fbb h LEU 45 N 0.58 0.62 -0.33 0.34 4.07 -1.31 -1.89 115.31 117.38 3fbb h LEU 45 Ca 0.13 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 3fbb h LEU 45 Cb 0.25 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3fbb h LEU 45 CO -0.00 0.70 0.11 0.40 -1.08 0.00 0.00 178.44 178.57 3fbb h ILE 46 N 0.50 1.20 -0.72 1.22 1.08 -1.15 0.53 117.51 120.18 3fbb h ILE 46 Ca 0.12 -0.65 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 3fbb h ILE 46 Cb 0.33 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 3fbb h ILE 46 CO 0.00 0.22 0.23 -0.33 -0.69 0.00 0.00 178.15 177.59 3fbb h GLU 47 N 0.38 1.11 0.48 2.37 5.08 -0.95 0.44 114.58 123.49 3fbb h GLU 47 Ca 0.11 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3fbb h GLU 47 Cb 0.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3fbb h GLU 47 CO -0.00 0.94 -0.25 1.96 -1.00 0.00 0.00 179.01 180.66 3fbb h GLN 48 N 1.05 -0.64 -0.94 2.33 4.20 -1.22 -1.06 115.11 118.82 3fbb h GLN 48 Ca 0.23 0.04 0.19 0.00 0.06 0.00 0.00 58.65 59.18 3fbb h GLN 48 Cb 0.29 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.11 3fbb h GLN 48 CO -0.01 -0.43 0.52 1.25 -0.67 0.00 0.00 178.83 179.49 3fbb h HIS 49 N -0.67 0.91 -0.70 2.96 2.76 -0.32 -0.49 115.15 119.60 3fbb h HIS 49 Ca -0.06 0.04 -0.40 0.00 -2.20 0.00 0.00 60.37 57.74 3fbb h HIS 49 Cb 0.52 -0.26 -0.23 0.00 1.55 0.00 0.00 27.41 28.99 3fbb h HIS 49 CO -0.06 0.15 0.23 0.66 -1.30 0.00 0.00 177.93 177.62 3fbb n TYR 50 N -4.86 2.21 0.03 5.26 0.53 0.09 -4.68 117.16 115.74 3fbb n TYR 50 Ca 0.22 -1.97 0.01 0.00 -1.02 0.00 0.00 57.90 55.14 3fbb n TYR 50 Cb 0.57 -0.78 0.33 0.00 -1.03 0.00 0.00 39.34 38.43 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 1.26 0.46 0.00 -0.72 2.10 0.28 -0.99 116.57 118.97 3fbb h LYS 51 Ca 0.43 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 3fbb h LYS 51 Cb 1.91 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.17 3fbb h LYS 51 CO 0.84 0.49 0.00 0.39 -2.00 0.00 0.00 179.45 179.18 3fbb n GLU 52 N -4.30 0.14 -0.14 0.07 1.02 -1.26 -1.62 120.64 114.55 3fbb n GLU 52 Ca 0.01 0.54 0.07 0.00 -0.02 0.00 0.00 57.16 57.76 3fbb n GLU 52 Cb 0.23 -1.87 0.14 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.15 0.36 0.33 -0.32 8.25 -0.38 -4.70 115.22 116.61 3fbb n HIS 53 Ca 0.00 -0.32 0.19 0.00 -0.26 0.00 0.00 57.72 57.34 3fbb n HIS 53 Cb 0.10 -0.01 1.04 0.00 1.12 0.00 0.00 29.99 32.24 3fbb n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3fbb h SER 54 N 2.55 0.00 -0.28 0.41 4.64 -1.26 -0.97 113.55 118.65 3fbb h SER 54 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3fbb h SER 54 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3fbb h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3fbb n GLU 55 N -2.97 2.90 -3.35 4.77 4.71 -1.26 -4.93 120.64 120.51 3fbb n GLU 55 Ca -0.03 -2.87 -0.29 0.00 -0.01 0.00 0.00 57.16 53.97 3fbb n GLU 55 Cb 0.19 -1.86 -0.03 0.00 -1.01 0.00 0.00 31.44 28.73 3fbb n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3fbb s GLN 56 N -2.86 3.64 0.38 3.49 -1.52 -0.37 -4.98 119.66 117.44 3fbb s GLN 56 Ca 0.43 0.01 0.11 0.00 -1.95 0.00 0.00 55.36 53.96 3fbb s GLN 56 Cb 0.35 -2.65 0.90 0.00 -0.22 0.00 0.00 33.01 31.38 3fbb s GLN 56 CO 0.09 0.22 1.88 0.66 -0.25 0.00 0.00 175.29 177.89 3fbb h SER 57 N 1.74 0.57 0.63 5.90 4.64 -1.94 -2.55 113.55 122.54 3fbb h SER 57 Ca -0.48 0.04 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 0.28 -0.41 0.00 -0.87 0.00 0.00 176.83 176.50 3fbb n TYR 58 N -4.54 0.05 -0.28 4.77 0.18 -1.26 -4.37 117.16 111.70 3fbb n TYR 58 Ca 0.17 0.01 0.07 0.00 1.88 0.00 0.00 57.90 60.04 3fbb n TYR 58 Cb 0.50 -0.33 0.19 0.00 -0.38 0.00 0.00 39.34 39.32 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 0.00 -0.06 -0.15 -3.48 3.04 -1.68 -0.27 116.94 114.34 3fbb h PHE 59 Ca 0.00 0.06 -0.21 0.00 3.98 0.00 0.00 57.97 61.80 3fbb h PHE 59 Cb 0.52 0.16 0.01 0.00 2.56 0.00 0.00 35.95 39.20 3fbb h PHE 59 CO 0.00 -0.29 -0.72 -0.91 -2.02 0.00 0.00 178.31 174.37 3fbb h ASN 60 N 0.09 0.89 0.24 0.41 2.35 -1.83 -1.95 115.58 115.78 3fbb h ASN 60 Ca 0.46 -0.63 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 3fbb h ASN 60 Cb 0.84 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3fbb h ASN 60 CO -0.73 1.38 -0.32 0.44 -1.65 0.00 0.00 177.43 176.54 3fbb h ASP 61 N 0.47 0.14 0.25 5.81 3.32 -1.76 -1.05 116.42 123.59 3fbb h ASP 61 Ca -0.05 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3fbb h ASP 61 Cb 1.36 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3fbb h ASP 61 CO 0.15 0.46 -0.12 0.25 -1.72 0.00 0.00 179.24 178.26 3fbb h LEU 62 N 0.12 -0.28 -0.89 1.55 5.85 -0.87 -0.65 115.31 120.15 3fbb h LEU 62 Ca 0.02 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3fbb h LEU 62 Cb 0.64 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 3fbb h LEU 62 CO 0.05 -0.07 0.57 0.00 -0.34 0.00 0.00 178.44 178.65 3fbb h ASP 64 N 1.09 -0.10 -0.28 0.00 3.32 -1.04 -2.02 116.42 117.39 3fbb h ASP 64 Ca 0.36 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3fbb h ASP 64 Cb 0.05 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3fbb h ASP 64 CO -0.13 -0.03 0.13 0.15 -1.72 0.00 0.00 179.24 177.63 3fbb h PHE 65 N 0.01 0.41 0.00 4.55 3.04 -0.65 -2.21 116.94 122.10 3fbb h PHE 65 Ca 0.06 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 3fbb h PHE 65 Cb 0.09 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.47 3fbb h PHE 65 CO -0.16 0.39 -0.01 0.52 -2.02 0.00 0.00 178.31 177.04 3fbb h MET 66 N 0.32 0.00 -0.41 1.11 2.86 -0.48 0.40 114.93 118.73 3fbb h MET 66 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3fbb h MET 66 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3fbb h MET 66 CO -0.01 0.01 0.00 1.33 1.06 0.00 0.00 176.91 179.29 3fbb n VAL 67 N -3.21 0.68 1.14 -2.22 0.24 -0.78 -4.57 118.33 109.63 3fbb n VAL 67 Ca -0.03 -0.84 0.14 0.00 -2.04 0.00 0.00 64.34 61.57 3fbb n VAL 67 Cb 0.10 0.78 0.58 0.00 -1.47 0.00 0.00 33.84 33.83 3fbb n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3fbb n SER 68 N 1.18 0.17 -1.18 -1.34 3.41 0.13 -4.75 113.62 111.24 3fbb n SER 68 Ca 0.17 0.07 -0.01 0.00 -0.26 0.00 0.00 58.87 58.85 3fbb n SER 68 Cb 0.53 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 1.42 1.64 3.71 5.00 0.00 -1.26 -5.09 105.19 110.63 3fbb n GLY 69 Ca 0.09 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.01 1.59 0.04 1.61 0.02 -1.07 -4.52 135.00 130.66 3fbb s PRO 70 Ca 0.02 1.43 -0.06 0.00 0.02 0.00 0.00 61.00 62.41 3fbb s PRO 70 Cb -0.00 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 3fbb s PRO 70 CO 0.01 -2.19 0.10 0.96 -0.33 0.00 0.00 177.00 175.55 3fbb s ILE 71 N -2.68 0.13 -0.10 2.83 -5.25 -0.34 -3.25 121.20 112.54 3fbb s ILE 71 Ca 0.65 -1.07 0.03 0.00 -0.99 0.00 0.00 60.65 59.27 3fbb s ILE 71 Cb -0.21 -0.87 -0.01 0.00 2.95 0.00 0.00 42.46 44.32 3fbb s ILE 71 CO 0.56 -0.59 -0.19 -0.63 -1.79 0.00 0.00 174.94 172.30 3fbb s ILE 72 N -2.55 2.53 -0.13 8.37 1.01 -1.10 -0.87 121.20 128.46 3fbb s ILE 72 Ca -0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 3fbb s ILE 72 Cb -0.01 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3fbb s ILE 72 CO -0.04 0.55 0.04 -0.94 0.00 0.00 0.00 174.94 174.54 3fbb s SER 73 N 0.20 5.49 -0.03 3.58 1.04 -0.45 -0.63 113.70 122.90 3fbb s SER 73 Ca -0.11 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3fbb s SER 73 Cb -0.16 -1.78 0.02 0.00 0.10 0.00 0.00 66.02 64.21 3fbb s SER 73 CO 0.06 0.28 -0.02 -0.63 0.98 0.00 0.00 173.24 173.91 3fbb s ILE 74 N -0.29 0.33 -0.24 -1.02 1.01 0.11 -0.92 121.20 120.17 3fbb s ILE 74 Ca 0.08 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.53 3fbb s ILE 74 Cb -0.12 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 3fbb s ILE 74 CO 0.02 0.17 0.51 -0.69 0.00 0.00 0.00 174.94 174.95 3fbb s VAL 75 N 0.86 5.08 0.13 2.92 1.01 0.09 -0.14 120.40 130.35 3fbb s VAL 75 Ca -0.10 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.82 3fbb s VAL 75 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3fbb s VAL 75 CO -0.01 0.12 0.14 -0.31 0.00 0.00 0.00 175.10 175.04 3fbb s TYR 76 N 2.07 3.23 0.02 5.22 1.51 -0.19 -1.12 117.35 128.09 3fbb s TYR 76 Ca 0.22 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.37 3fbb s TYR 76 Cb -0.16 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3fbb s TYR 76 CO 0.09 0.52 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.92 3fbb s GLU 77 N -2.82 0.98 0.00 -0.62 2.12 -0.12 -1.34 118.70 116.90 3fbb s GLU 77 Ca 0.31 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.03 3fbb s GLU 77 Cb -0.11 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.31 3fbb s GLU 77 CO 0.24 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 3fbb n GLY 78 N 2.31 0.80 3.69 -1.50 0.00 -0.90 -1.69 105.19 107.90 3fbb n GLY 78 Ca -0.16 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 2.75 -1.54 2.61 2.01 -1.26 -0.87 115.64 117.33 3fbb s THR 79 Ca 0.00 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 3fbb s THR 79 Cb 0.00 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3fbb s THR 79 CO 0.00 -0.00 0.64 -0.67 -0.69 0.00 0.00 174.62 173.90 3fbb n ASP 80 N 5.84 -6.04 -0.27 3.53 2.03 -0.10 -4.86 116.55 116.69 3fbb n ASP 80 Ca 0.17 -0.31 0.01 0.00 0.52 0.00 0.00 54.79 55.18 3fbb n ASP 80 Cb 0.39 -4.87 0.21 0.00 -0.72 0.00 0.00 41.12 36.13 3fbb n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fbb h ALA 81 N 1.01 1.43 0.69 -1.67 0.00 -1.73 -1.92 119.26 117.06 3fbb h ALA 81 Ca -0.53 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 3fbb h ALA 81 Cb 1.36 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.84 3fbb h ALA 81 CO 0.57 0.51 -0.33 0.82 0.00 0.00 0.00 179.25 180.82 3fbb h ILE 82 N 1.10 0.28 -0.13 0.00 2.04 -1.88 -1.18 117.51 117.74 3fbb h ILE 82 Ca 0.32 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.86 3fbb h ILE 82 Cb -0.08 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3fbb h ILE 82 CO -0.08 0.01 -0.70 0.77 0.00 0.00 0.00 178.15 178.16 3fbb h SER 83 N -1.02 0.66 -0.76 1.72 4.64 -1.84 -2.26 113.55 114.69 3fbb h SER 83 Ca -0.09 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 3fbb h SER 83 Cb 0.73 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 3fbb h SER 83 CO 0.16 1.17 0.40 0.11 -0.87 0.00 0.00 176.83 177.79 3fbb h LYS 84 N 0.40 1.07 0.00 4.77 1.79 -1.37 0.48 116.57 123.71 3fbb h LYS 84 Ca -0.03 -0.14 -0.13 0.00 -2.18 0.00 0.00 60.65 58.17 3fbb h LYS 84 Cb 1.28 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 3fbb h LYS 84 CO 0.13 0.81 -0.64 0.82 -1.08 0.00 0.00 179.45 179.49 3fbb h ILE 85 N 1.06 1.28 -0.27 1.86 2.04 -1.24 -1.79 117.51 120.45 3fbb h ILE 85 Ca 0.27 -2.32 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 3fbb h ILE 85 Cb 0.06 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3fbb h ILE 85 CO -0.04 0.62 0.12 0.03 0.00 0.00 0.00 178.15 178.88 3fbb h ARG 86 N 0.00 0.40 -0.20 2.37 2.47 -1.07 -1.19 114.38 117.15 3fbb h ARG 86 Ca -0.01 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 3fbb h ARG 86 Cb 1.27 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 3fbb h ARG 86 CO 0.08 0.41 -0.02 0.00 0.56 0.00 0.00 179.97 181.01 3fbb h ARG 87 N 0.30 0.30 -0.39 0.04 3.08 -0.76 -1.70 114.38 115.25 3fbb h ARG 87 Ca 0.09 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3fbb h ARG 87 Cb 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3fbb h ARG 87 CO -0.01 0.35 0.10 -0.07 -1.07 0.00 0.00 179.97 179.27 3fbb h LEU 88 N 0.29 0.58 -0.19 3.04 4.07 -0.98 -2.97 115.31 119.15 3fbb h LEU 88 Ca 0.07 -0.23 0.04 0.00 0.08 0.00 0.00 57.88 57.84 3fbb h LEU 88 Cb 0.24 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 3fbb h LEU 88 CO 0.01 0.66 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.38 3fbb h GLN 89 N 0.48 0.02 0.00 1.13 4.15 -0.92 0.89 115.11 120.86 3fbb h GLN 89 Ca 0.12 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3fbb h GLN 89 Cb 0.30 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3fbb h GLN 89 CO 0.00 0.01 0.00 0.41 -1.93 0.00 0.00 178.83 177.33 3fbb n GLY 90 N -1.19 1.54 3.38 2.39 0.00 -0.67 -1.70 105.19 108.94 3fbb n GLY 90 Ca -0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 0.04 0.00 1.61 2.20 -1.26 -4.80 114.94 108.73 3fbb s ASN 91 Ca 0.00 -1.13 0.13 0.00 -0.94 0.00 0.00 52.86 50.92 3fbb s ASN 91 Cb 0.00 0.47 0.57 0.00 -2.00 0.00 0.00 41.25 40.29 3fbb s ASN 91 CO 0.00 -0.97 1.38 2.30 -2.94 0.00 0.00 177.10 176.87 3fbb n ILE 92 N -0.31 1.00 1.13 0.54 -5.35 -1.26 -1.36 119.36 113.75 3fbb n ILE 92 Ca -0.01 0.25 0.12 0.00 -0.27 0.00 0.00 62.75 62.84 3fbb n ILE 92 Cb 0.64 -1.03 0.18 0.00 -1.74 0.00 0.00 39.64 37.69 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 -1.44 1.93 -3.91 7.28 4.77 -1.26 -4.62 117.00 119.75 3fbb n LEU 93 Ca 0.04 -0.66 -0.31 0.00 -0.03 0.00 0.00 56.01 55.06 3fbb n LEU 93 Cb 0.13 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.04 3fbb n LEU 93 CO 0.11 0.34 -0.34 -0.89 -1.33 0.00 0.00 177.39 175.29 3fbb s THR 94 N -2.31 1.72 0.52 -5.08 2.01 -0.59 -5.03 115.64 106.88 3fbb s THR 94 Ca 0.25 -1.93 -0.22 0.00 0.31 0.00 0.00 61.69 60.09 3fbb s THR 94 Cb 0.19 -2.26 -0.06 0.00 0.01 0.00 0.00 72.50 70.38 3fbb s THR 94 CO 0.47 -0.59 1.28 -2.84 -0.69 0.00 0.00 174.62 172.24 3fbb s PRO 95 N 1.19 3.35 0.00 4.92 0.02 -1.26 -3.06 135.00 140.17 3fbb s PRO 95 Ca 0.09 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3fbb s PRO 95 Cb -0.18 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.04 3fbb s PRO 95 CO -0.14 -0.96 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 3fbb n GLY 96 N 0.62 1.97 3.98 0.52 0.00 -1.26 -4.95 105.19 106.06 3fbb n GLY 96 Ca 0.09 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.61 3.49 0.09 2.61 -4.23 -1.17 -4.93 115.64 109.88 3fbb s THR 97 Ca 0.00 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 3fbb s THR 97 Cb 0.00 -3.25 -0.15 0.00 1.34 0.00 0.00 72.50 70.44 3fbb s THR 97 CO 0.00 -0.15 1.67 0.40 -0.54 0.00 0.00 174.62 176.00 3fbb h ILE 98 N 0.46 0.57 -0.57 2.99 2.04 -0.87 -0.13 117.51 122.00 3fbb h ILE 98 Ca -0.44 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 3fbb h ILE 98 Cb 1.27 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3fbb h ILE 98 CO 0.53 0.00 -0.03 0.03 0.00 0.00 0.00 178.15 178.67 3fbb h ARG 99 N -0.52 1.02 -0.52 2.37 3.08 -1.54 -1.05 114.38 117.22 3fbb h ARG 99 Ca -0.03 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 59.70 3fbb h ARG 99 Cb 0.43 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3fbb h ARG 99 CO 0.03 1.02 0.34 0.78 -1.07 0.00 0.00 179.97 181.07 3fbb h GLY 100 N 0.98 0.70 0.70 0.04 0.00 -0.99 -1.48 103.07 103.02 3fbb h GLY 100 Ca 0.16 -0.26 -0.32 0.00 0.00 0.00 0.00 47.33 46.91 3fbb h GLY 100 CO 0.03 0.24 -1.91 1.22 0.00 0.00 0.00 176.54 176.12 3fbb n ASP 101 N -4.46 0.91 0.00 0.19 8.00 -0.08 -4.31 116.55 116.79 3fbb n ASP 101 Ca 0.05 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3fbb n ASP 101 Cb 0.08 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3fbb n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fbb n LEU 102 N -3.05 0.00 -4.52 0.64 4.77 -0.41 -5.05 117.00 109.37 3fbb n LEU 102 Ca -0.23 -0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.37 3fbb n LEU 102 Cb 1.07 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.06 3fbb n LEU 102 CO 0.44 0.00 -0.45 0.00 -1.33 0.00 0.00 177.39 176.05 3fbb s ALA 103 N -1.76 2.82 -0.23 -1.18 0.00 -0.56 -5.02 121.76 115.83 3fbb s ALA 103 Ca 0.00 -1.59 0.20 0.00 0.00 0.00 0.00 51.96 50.57 3fbb s ALA 103 Cb 0.00 -0.56 0.45 0.00 0.00 0.00 0.00 23.12 23.01 3fbb s ALA 103 CO 0.00 0.42 1.21 -1.71 0.00 0.00 0.00 175.76 175.68 3fbb n ASN 104 N -0.05 0.64 -3.66 0.00 5.15 -1.26 -4.74 115.26 111.34 3fbb n ASN 104 Ca -0.10 -2.06 -0.14 0.00 -0.60 0.00 0.00 54.58 51.67 3fbb n ASN 104 Cb 0.56 -0.14 -0.08 0.00 -0.53 0.00 0.00 39.78 39.59 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 -2.78 -0.59 0.53 1.20 -1.08 -1.26 -5.04 116.67 107.66 3fbb s ASP 105 Ca 0.22 1.04 0.32 0.00 -0.52 0.00 0.00 52.55 53.62 3fbb s ASP 105 Cb 0.34 1.05 1.30 0.00 -1.46 0.00 0.00 42.92 44.15 3fbb s ASP 105 CO -0.08 -0.28 1.96 0.16 0.52 0.00 0.00 175.17 177.46 3fbb h ILE 106 N 4.01 0.11 0.00 4.11 -0.00 -2.02 -3.35 117.51 120.37 3fbb h ILE 106 Ca -0.28 -0.61 -0.03 0.00 -0.00 0.00 0.00 64.86 63.94 3fbb h ILE 106 Cb 1.17 1.55 -0.00 0.00 -0.00 0.00 0.00 36.82 39.53 3fbb h ILE 106 CO 0.19 0.04 -1.07 0.61 -0.00 0.00 0.00 178.15 177.92 3fbb n GLY 107 N 0.03 -0.52 3.52 0.16 0.00 -1.26 -4.82 105.19 102.30 3fbb n GLY 107 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.85 3.43 -0.05 1.61 2.02 -1.26 -4.74 118.70 116.86 3fbb s GLU 108 Ca -0.29 -1.02 0.15 0.00 0.02 0.00 0.00 54.97 53.84 3fbb s GLU 108 Cb 0.05 -4.82 0.29 0.00 0.10 0.00 0.00 34.13 29.75 3fbb s GLU 108 CO 0.42 -2.04 1.13 0.27 0.02 0.00 0.00 175.26 175.06 3fbb n ASN 109 N 8.30 1.00 0.00 -0.19 0.23 -1.26 -4.14 115.26 119.20 3fbb n ASN 109 Ca 0.18 -2.46 0.00 0.00 -0.53 0.00 0.00 54.58 51.77 3fbb n ASN 109 Cb 0.49 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 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 -0.15 0.00 -3.79 -4.53 4.77 -1.26 -4.82 117.00 107.21 3fbb n LEU 110 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3fbb n LEU 110 Cb 0.89 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.85 3fbb n LEU 110 CO -0.02 0.00 -0.15 -0.51 -1.33 0.00 0.00 177.39 175.38 3fbb s ILE 111 N 0.00 -0.01 -0.11 -0.08 2.07 -1.26 0.02 121.20 121.83 3fbb s ILE 111 Ca 0.00 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 3fbb s ILE 111 Cb 0.00 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 3fbb s ILE 111 CO 0.00 0.01 -0.00 -2.28 -1.91 0.00 0.00 174.94 170.76 3fbb s HIS 112 N 0.29 3.13 0.01 3.50 5.65 0.06 -4.96 115.29 122.96 3fbb s HIS 112 Ca -0.01 0.05 0.06 0.00 0.25 0.00 0.00 55.06 55.41 3fbb s HIS 112 Cb -0.03 -1.86 -0.02 0.00 -1.18 0.00 0.00 32.58 29.49 3fbb s HIS 112 CO -0.01 0.30 -0.19 0.00 -0.65 0.00 0.00 174.74 174.20 3fbb s ALA 113 N -0.42 1.55 0.42 1.58 0.00 -1.26 -0.73 121.76 122.90 3fbb s ALA 113 Ca 0.08 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 3fbb s ALA 113 Cb -0.12 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 3fbb s ALA 113 CO 0.02 0.36 1.43 -1.12 0.00 0.00 0.00 175.76 176.45 3fbb s SER 114 N -0.75 6.11 0.00 0.00 0.01 -0.77 -4.95 113.70 113.35 3fbb s SER 114 Ca 0.07 2.93 0.14 0.00 1.31 0.00 0.00 55.95 60.40 3fbb s SER 114 Cb -0.08 -2.66 0.18 0.00 0.21 0.00 0.00 66.02 63.68 3fbb s SER 114 CO 0.00 -1.02 1.05 -0.90 0.41 0.00 0.00 173.24 172.79 3fbb n ASP 115 N 0.09 2.45 -3.75 2.44 5.75 -1.26 -4.68 116.55 117.59 3fbb n ASP 115 Ca 0.03 -1.70 -0.06 0.00 -0.01 0.00 0.00 54.79 53.05 3fbb n ASP 115 Cb 0.41 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3fbb n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fbb s SER 116 N -1.17 -0.27 0.33 -1.12 1.04 -1.26 -4.94 113.70 106.32 3fbb s SER 116 Ca 0.20 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.23 3fbb s SER 116 Cb 0.13 0.60 0.62 0.00 0.10 0.00 0.00 66.02 67.47 3fbb s SER 116 CO 0.19 -1.10 1.95 -0.33 0.98 0.00 0.00 173.24 174.94 3fbb h GLU 117 N 2.00 0.88 0.19 4.02 5.08 -1.96 0.18 114.58 124.98 3fbb h GLU 117 Ca -0.23 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3fbb h GLU 117 Cb 1.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3fbb h GLU 117 CO 0.26 0.58 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.32 3fbb h ASP 118 N 0.91 -0.22 -0.22 1.42 5.19 -2.00 -1.67 116.42 119.83 3fbb h ASP 118 Ca 0.32 -0.15 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 3fbb h ASP 118 Cb 0.13 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 3fbb h ASP 118 CO -0.10 0.02 -0.03 0.28 -3.12 0.00 0.00 179.24 176.29 3fbb h SER 119 N -0.46 0.51 0.86 6.45 0.02 -1.88 -1.84 113.55 117.23 3fbb h SER 119 Ca -0.03 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3fbb h SER 119 Cb 0.35 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.76 3fbb h SER 119 CO 0.04 0.60 -0.42 0.00 -1.14 0.00 0.00 176.83 175.92 3fbb h ALA 120 N 1.46 -1.16 -0.66 3.77 0.00 -0.84 0.46 119.26 122.30 3fbb h ALA 120 Ca 0.11 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.89 3fbb h ALA 120 Cb 0.38 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 3fbb h ALA 120 CO 0.02 -1.12 0.13 0.28 0.00 0.00 0.00 179.25 178.55 3fbb h VAL 121 N -1.23 0.57 -0.42 0.00 2.07 -1.29 0.21 116.25 116.16 3fbb h VAL 121 Ca -0.12 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 3fbb h VAL 121 Cb 0.90 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3fbb h VAL 121 CO 0.19 0.04 -0.18 -0.78 0.02 0.00 0.00 177.57 176.87 3fbb h ASP 122 N 0.24 0.88 -0.28 0.57 3.58 -1.13 -2.28 116.42 118.00 3fbb h ASP 122 Ca 0.36 -0.39 -0.16 0.00 0.42 0.00 0.00 57.03 57.25 3fbb h ASP 122 Cb 0.57 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 3fbb h ASP 122 CO -0.47 1.08 -0.44 -0.33 -2.88 0.00 0.00 179.24 176.20 3fbb h GLU 123 N 0.68 0.79 -0.85 0.28 5.08 0.52 -2.08 114.58 119.00 3fbb h GLU 123 Ca 0.10 -0.48 0.09 0.00 -1.00 0.00 0.00 59.36 58.07 3fbb h GLU 123 Cb 0.74 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 3fbb h GLU 123 CO 0.06 1.11 0.50 0.82 -1.00 0.00 0.00 179.01 180.49 3fbb h ILE 124 N 0.55 0.93 -0.66 3.13 2.04 -0.63 -1.73 117.51 121.14 3fbb h ILE 124 Ca 0.02 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3fbb h ILE 124 Cb 1.04 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3fbb h ILE 124 CO 0.10 0.15 0.37 0.28 0.00 0.00 0.00 178.15 179.05 3fbb h SER 125 N 0.84 0.55 0.09 1.72 0.02 -1.07 0.27 113.55 115.97 3fbb h SER 125 Ca 0.40 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3fbb h SER 125 Cb 0.34 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3fbb h SER 125 CO -0.24 0.36 -0.04 0.40 -1.14 0.00 0.00 176.83 176.17 3fbb h ILE 126 N 0.68 1.02 0.00 3.27 2.04 -0.69 -3.00 117.51 120.83 3fbb h ILE 126 Ca 0.29 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 3fbb h ILE 126 Cb 0.17 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3fbb h ILE 126 CO -0.18 0.10 -0.88 -0.50 0.00 0.00 0.00 178.15 176.69 3fbb h TRP 127 N -0.30 0.00 -2.08 1.37 4.06 -1.14 -3.38 115.95 114.48 3fbb h TRP 127 Ca -0.01 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.36 3fbb h TRP 127 Cb 0.26 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.01 3fbb h TRP 127 CO -0.01 0.75 -0.90 1.19 -3.56 0.00 0.00 178.44 175.90 3fbb n PHE 128 N -3.23 1.26 0.24 0.49 3.72 0.93 -4.93 117.46 115.95 3fbb n PHE 128 Ca -0.01 -3.80 0.14 0.00 -0.05 0.00 0.00 57.45 53.72 3fbb n PHE 128 Cb 0.85 -0.43 0.80 0.00 -0.94 0.00 0.00 39.48 39.76 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 4.06 0.00 0.00 -1.08 0.13 -1.70 -1.09 132.00 132.32 3fbb h PRO 129 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3fbb h PRO 129 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3fbb h PRO 129 CO 0.61 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 3fbb n GLU 130 N -4.07 0.00 0.00 0.86 0.00 -1.26 -5.06 120.64 111.11 3fbb n GLU 130 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 3fbb n GLU 130 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 31.44 30.62 3fbb n GLU 130 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38