#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bfp s ARG 3 N 0.00 4.09 0.81 0.00 0.52 -1.26 -5.03 118.95 118.08 3bfp s ARG 3 Ca 0.00 1.99 -0.12 0.00 -0.52 0.00 0.00 55.73 57.09 3bfp s ARG 3 Cb 0.00 -2.78 0.08 0.00 0.52 0.00 0.00 34.95 32.76 3bfp s ARG 3 CO 0.00 -0.33 1.12 0.95 0.02 0.00 0.00 175.30 177.06 3bfp s THR 4 N -1.31 2.70 0.19 0.02 -4.23 -1.26 -4.99 115.64 106.76 3bfp s THR 4 Ca 0.55 0.23 0.04 0.00 -1.18 0.00 0.00 61.69 61.32 3bfp s THR 4 Cb -0.34 -3.07 -0.11 0.00 1.34 0.00 0.00 72.50 70.31 3bfp s THR 4 CO 0.44 -0.30 1.44 -0.08 -0.54 0.00 0.00 174.62 175.58 3bfp h GLU 5 N -1.10 0.19 -6.26 3.99 4.22 -1.96 -3.46 114.58 110.21 3bfp h GLU 5 Ca -0.47 -0.18 -0.57 0.00 0.08 0.00 0.00 59.36 58.21 3bfp h GLU 5 Cb 1.29 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.49 3bfp h GLU 5 CO 0.62 0.88 -0.65 0.15 -2.18 0.00 0.00 179.01 177.83 3bfp s LYS 6 N -3.37 2.33 -0.03 1.92 1.02 -1.26 -0.89 119.74 119.45 3bfp s LYS 6 Ca -0.03 -1.31 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 3bfp s LYS 6 Cb 0.11 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 3bfp s LYS 6 CO 0.82 0.39 0.08 -1.50 -0.92 0.00 0.00 175.35 174.22 3bfp s ILE 7 N -2.12 -0.02 -0.01 2.17 2.07 -0.62 -3.82 121.20 118.85 3bfp s ILE 7 Ca 0.30 0.07 -0.24 0.00 -1.41 0.00 0.00 60.65 59.37 3bfp s ILE 7 Cb -0.07 -0.13 -0.05 0.00 0.13 0.00 0.00 42.46 42.34 3bfp s ILE 7 CO 0.19 0.03 0.72 -0.31 -1.91 0.00 0.00 174.94 173.67 3bfp s TYR 8 N 0.43 3.65 -0.24 3.50 2.02 -0.50 -0.45 117.35 125.76 3bfp s TYR 8 Ca -0.03 1.35 -0.01 0.00 -0.37 0.00 0.00 57.07 58.01 3bfp s TYR 8 Cb -0.05 -2.80 0.03 0.00 -0.40 0.00 0.00 41.96 38.74 3bfp s TYR 8 CO -0.02 0.19 -0.09 0.42 -1.57 0.00 0.00 175.55 174.48 3bfp s ILE 9 N 0.36 2.65 -0.26 2.71 -1.09 0.13 -0.65 121.20 125.06 3bfp s ILE 9 Ca 0.38 -1.08 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 3bfp s ILE 9 Cb -0.19 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 3bfp s ILE 9 CO 0.20 0.23 0.49 -0.47 -1.23 0.00 0.00 174.94 174.17 3bfp s TYR 10 N 1.29 3.27 -2.72 3.97 6.14 -0.31 -1.01 117.35 127.99 3bfp s TYR 10 Ca -0.00 0.61 0.00 0.00 0.64 0.00 0.00 57.07 58.32 3bfp s TYR 10 Cb -0.16 -2.69 0.00 0.00 0.42 0.00 0.00 41.96 39.52 3bfp s TYR 10 CO -0.06 -0.26 0.00 0.41 0.64 0.00 0.00 175.55 176.28 3bfp n GLY 11 N 4.40 0.54 3.31 8.97 0.00 -0.29 0.24 105.19 122.35 3bfp n GLY 11 Ca -0.05 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3bfp n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bfp n GLY 14 N 0.00 0.04 0.28 -0.02 0.00 -1.26 -4.06 105.19 100.18 3bfp n GLY 14 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3bfp n GLY 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3bfp h HIS 15 N 0.00 0.00 -0.28 1.61 -0.00 -2.00 -2.53 115.15 111.95 3bfp h HIS 15 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 3bfp h HIS 15 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 3bfp h HIS 15 CO 0.00 0.00 -0.02 0.78 -0.00 0.00 0.00 177.93 178.69 3bfp h GLY 16 N 0.00 0.55 1.64 2.45 0.00 -1.77 -1.63 103.07 104.32 3bfp h GLY 16 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3bfp h GLY 16 CO -0.00 0.39 -0.15 1.41 0.00 0.00 0.00 176.54 178.19 3bfp h LEU 17 N 0.29 0.42 -0.39 3.11 3.38 -1.77 0.08 115.31 120.42 3bfp h LEU 17 Ca 0.08 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3bfp h LEU 17 Cb 0.47 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3bfp h LEU 17 CO 0.02 0.60 0.00 0.58 0.09 0.00 0.00 178.44 179.73 3bfp h VAL 18 N 0.40 1.26 -0.43 1.22 2.07 -1.39 -1.52 116.25 117.86 3bfp h VAL 18 Ca 0.07 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3bfp h VAL 18 Cb 0.50 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3bfp h VAL 18 CO 0.03 0.34 -0.01 0.00 0.02 0.00 0.00 177.57 177.94 3bfp h GLU 20 N 0.66 0.67 -0.83 0.00 4.81 -0.73 0.11 114.58 119.26 3bfp h GLU 20 Ca 0.13 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3bfp h GLU 20 Cb 0.43 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 3bfp h GLU 20 CO 0.02 0.44 0.54 -0.44 -0.73 0.00 0.00 179.01 178.84 3bfp h ASP 21 N 0.69 0.92 -0.43 1.04 3.32 -0.82 0.17 116.42 121.31 3bfp h ASP 21 Ca 0.25 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.14 3bfp h ASP 21 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3bfp h ASP 21 CO -0.12 0.65 -0.27 0.58 -1.72 0.00 0.00 179.24 178.36 3bfp h VAL 22 N 1.08 1.27 -0.33 -1.35 2.07 -0.78 -1.11 116.25 117.11 3bfp h VAL 22 Ca 0.32 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.41 3bfp h VAL 22 Cb -0.07 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3bfp h VAL 22 CO -0.09 0.49 0.18 0.00 0.02 0.00 0.00 177.57 178.17 3bfp h ALA 23 N 0.82 0.40 -0.53 1.67 0.00 -0.39 -1.82 119.26 119.41 3bfp h ALA 23 Ca 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3bfp h ALA 23 Cb 0.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3bfp h ALA 23 CO 0.08 -0.18 0.03 0.87 0.00 0.00 0.00 179.25 180.04 3bfp h LYS 24 N 0.38 0.89 -0.99 0.00 1.57 -0.89 -1.76 116.57 115.76 3bfp h LYS 24 Ca 0.13 -0.24 0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3bfp h LYS 24 Cb 0.01 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 3bfp h LYS 24 CO -0.07 0.86 0.63 -0.97 -0.57 0.00 0.00 179.45 179.34 3bfp h ASN 25 N 0.83 0.99 0.68 0.86 -0.73 -0.92 -1.89 115.58 115.41 3bfp h ASN 25 Ca 0.16 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 3bfp h ASN 25 Cb 0.45 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.85 3bfp h ASN 25 CO 0.02 0.61 -0.17 0.24 -0.37 0.00 0.00 177.43 177.76 3bfp h MET 26 N 1.11 0.00 0.00 6.67 2.86 -0.82 -3.45 114.93 121.30 3bfp h MET 26 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 3bfp h MET 26 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3bfp h MET 26 CO -0.20 0.17 0.00 0.41 1.06 0.00 0.00 176.91 178.35 3bfp n GLY 27 N -0.22 0.95 3.76 8.32 0.00 -0.71 -5.10 105.19 112.19 3bfp n GLY 27 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3bfp n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bfp s TYR 28 N -1.85 2.92 -0.03 1.61 2.02 -0.71 -4.92 117.35 116.40 3bfp s TYR 28 Ca 0.00 1.08 0.12 0.00 -0.37 0.00 0.00 57.07 57.90 3bfp s TYR 28 Cb 0.00 -3.87 -0.23 0.00 -0.40 0.00 0.00 41.96 37.47 3bfp s TYR 28 CO 0.00 -2.72 0.73 0.87 -1.57 0.00 0.00 175.55 172.86 3bfp h LYS 29 N 4.42 0.00 -3.45 -0.62 1.79 -1.34 -3.38 116.57 113.99 3bfp h LYS 29 Ca -0.47 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.79 3bfp h LYS 29 Cb 1.22 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.60 3bfp h LYS 29 CO 0.74 0.54 -0.60 -2.00 -1.08 0.00 0.00 179.45 177.05 3bfp s GLU 30 N -2.62 0.12 -0.13 3.15 2.12 -1.17 -5.05 118.70 115.12 3bfp s GLU 30 Ca -0.04 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.48 3bfp s GLU 30 Cb 0.08 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.49 3bfp s GLU 30 CO 0.82 -0.03 -0.17 0.00 -0.54 0.00 0.00 175.26 175.34 3bfp s ILE 32 N 0.44 3.49 0.07 0.00 1.01 0.40 -4.97 121.20 121.64 3bfp s ILE 32 Ca -0.12 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 3bfp s ILE 32 Cb -0.16 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3bfp s ILE 32 CO 0.05 -0.04 0.91 -0.36 0.00 0.00 0.00 174.94 175.50 3bfp s PHE 33 N 1.38 3.76 0.04 3.97 0.08 -1.26 -0.69 117.98 125.25 3bfp s PHE 33 Ca -0.01 1.68 0.06 0.00 0.12 0.00 0.00 56.93 58.78 3bfp s PHE 33 Cb -0.19 -3.00 -0.02 0.00 -0.57 0.00 0.00 43.02 39.24 3bfp s PHE 33 CO 0.01 0.18 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.63 3bfp s LEU 34 N 0.21 2.16 -0.36 -0.37 1.43 -0.18 -4.93 118.68 116.64 3bfp s LEU 34 Ca 0.46 -0.47 0.13 0.00 -1.03 0.00 0.00 54.13 53.21 3bfp s LEU 34 Cb -0.22 -0.74 0.42 0.00 0.03 0.00 0.00 46.19 45.68 3bfp s LEU 34 CO 0.27 0.08 1.29 -0.67 0.23 0.00 0.00 176.35 177.56 3bfp n ASP 35 N 1.92 -0.87 0.00 2.29 -0.08 -1.26 -1.14 116.55 117.41 3bfp n ASP 35 Ca -0.17 -2.44 0.00 0.00 -1.51 0.00 0.00 54.79 50.67 3bfp n ASP 35 Cb 0.54 0.52 0.00 0.00 2.34 0.00 0.00 41.12 44.53 3bfp n ASP 35 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3bfp n SER 44 N -0.66 0.00 -2.14 1.67 3.41 -1.26 -5.00 113.62 109.64 3bfp n SER 44 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.38 3bfp n SER 44 Cb 0.85 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 65.00 3bfp n SER 44 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3bfp n THR 45 N -0.44 3.14 -2.36 6.66 -2.24 -1.26 -5.01 114.28 112.77 3bfp n THR 45 Ca 0.00 -1.91 -0.34 0.00 -2.27 0.00 0.00 64.05 59.53 3bfp n THR 45 Cb 0.00 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 3bfp n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bfp s LEU 46 N -3.25 3.74 0.53 3.22 1.43 -1.26 -5.00 118.68 118.09 3bfp s LEU 46 Ca 0.56 1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 55.41 3bfp s LEU 46 Cb 0.47 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 3bfp s LEU 46 CO 0.11 -0.98 1.20 -2.65 0.23 0.00 0.00 176.35 174.26 3bfp n PRO 47 N -1.29 1.48 -1.79 1.29 -0.02 -1.26 -4.86 135.00 128.54 3bfp n PRO 47 Ca 0.10 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 3bfp n PRO 47 Cb 0.52 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3bfp n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3bfp n LYS 48 N -0.70 3.42 -1.65 -0.52 4.01 -1.26 -4.97 118.16 116.50 3bfp n LYS 48 Ca 0.11 -2.80 -0.31 0.00 -0.51 0.00 0.00 58.31 54.80 3bfp n LYS 48 Cb 0.44 -3.02 0.04 0.00 -0.51 0.00 0.00 35.03 31.98 3bfp n LYS 48 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3bfp s TYR 49 N 1.85 3.21 0.59 2.13 2.02 -1.26 -4.94 117.35 120.96 3bfp s TYR 49 Ca 0.52 1.35 -0.18 0.00 -0.37 0.00 0.00 57.07 58.39 3bfp s TYR 49 Cb 0.15 -2.87 -0.06 0.00 -0.40 0.00 0.00 41.96 38.77 3bfp s TYR 49 CO -0.06 -1.16 0.77 -0.25 -1.57 0.00 0.00 175.55 173.28 3bfp n ASP 50 N -3.07 -0.03 -4.32 2.29 8.00 -1.25 -4.66 116.55 113.51 3bfp n ASP 50 Ca 0.07 0.77 -0.25 0.00 0.71 0.00 0.00 54.79 56.09 3bfp n ASP 50 Cb 0.54 -1.30 -0.13 0.00 -0.02 0.00 0.00 41.12 40.22 3bfp n ASP 50 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3bfp s PHE 51 N -1.61 1.96 0.02 1.24 5.36 -0.17 -1.41 117.98 123.37 3bfp s PHE 51 Ca 0.73 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 3bfp s PHE 51 Cb -0.43 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.18 3bfp s PHE 51 CO 0.50 0.26 -0.03 0.12 -1.46 0.00 0.00 175.22 174.61 3bfp s PHE 52 N -1.21 0.29 -0.40 10.12 5.36 0.18 -1.50 117.98 130.82 3bfp s PHE 52 Ca 0.10 -0.42 -0.08 0.00 -0.96 0.00 0.00 56.93 55.57 3bfp s PHE 52 Cb -0.10 -0.19 0.07 0.00 -0.34 0.00 0.00 43.02 42.46 3bfp s PHE 52 CO 0.05 -0.13 0.22 0.42 -1.46 0.00 0.00 175.22 174.32 3bfp s ILE 53 N -1.15 4.04 -1.17 3.12 1.01 -1.26 -1.16 121.20 124.63 3bfp s ILE 53 Ca -0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 60.65 59.08 3bfp s ILE 53 Cb -0.08 -3.47 0.23 0.00 0.01 0.00 0.00 42.46 39.15 3bfp s ILE 53 CO -0.01 -0.47 2.05 0.00 0.00 0.00 0.00 174.94 176.52 3bfp n ALA 54 N 4.86 6.31 -4.07 9.38 0.00 0.14 -4.90 120.51 132.23 3bfp n ALA 54 Ca -0.10 -4.38 -0.32 0.00 0.00 0.00 0.00 53.44 48.64 3bfp n ALA 54 Cb 0.43 -2.49 -0.16 0.00 0.00 0.00 0.00 19.45 17.23 3bfp n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bfp s ILE 55 N -2.66 1.86 0.29 0.00 1.01 -1.26 -4.41 121.20 116.03 3bfp s ILE 55 Ca 0.45 -0.92 0.21 0.00 0.00 0.00 0.00 60.65 60.39 3bfp s ILE 55 Cb 0.17 -1.76 0.19 0.00 0.01 0.00 0.00 42.46 41.07 3bfp s ILE 55 CO -0.09 0.41 1.87 1.23 0.00 0.00 0.00 174.94 178.36 3bfp h GLY 56 N 7.96 0.00 -5.25 6.18 0.00 -1.98 -3.43 103.07 106.55 3bfp h GLY 56 Ca -0.39 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.38 3bfp h GLY 56 CO 0.57 0.00 0.96 0.21 0.00 0.00 0.00 176.54 178.27 3bfp s ASN 57 N -6.44 6.84 0.24 0.19 3.84 -1.26 -4.94 114.94 113.42 3bfp s ASN 57 Ca -0.01 1.79 -0.07 0.00 0.21 0.00 0.00 52.86 54.78 3bfp s ASN 57 Cb 0.12 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.54 3bfp s ASN 57 CO 0.66 -0.84 1.90 0.78 -2.79 0.00 0.00 177.10 176.81 3bfp h ASN 58 N 8.66 1.01 -0.16 -4.21 -0.26 -1.84 -1.18 115.58 117.62 3bfp h ASN 58 Ca -0.30 -0.02 -0.16 0.00 -0.56 0.00 0.00 56.30 55.26 3bfp h ASN 58 Cb 1.12 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 38.15 3bfp h ASN 58 CO 0.97 0.71 -0.54 -0.08 -1.06 0.00 0.00 177.43 177.43 3bfp h GLU 59 N 1.19 0.65 -0.27 0.81 4.57 -1.92 -2.40 114.58 117.21 3bfp h GLU 59 Ca 0.35 -0.48 -0.12 0.00 -1.18 0.00 0.00 59.36 57.93 3bfp h GLU 59 Cb -0.06 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3bfp h GLU 59 CO -0.10 1.10 -0.30 0.82 -1.18 0.00 0.00 179.01 179.35 3bfp h ILE 60 N 0.32 1.31 -0.64 2.32 2.04 -1.94 -2.65 117.51 118.26 3bfp h ILE 60 Ca -0.02 -1.48 0.10 0.00 1.00 0.00 0.00 64.86 64.45 3bfp h ILE 60 Cb 1.17 1.65 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 3bfp h ILE 60 CO 0.11 0.47 0.25 -0.09 0.00 0.00 0.00 178.15 178.90 3bfp h ARG 61 N 0.40 0.43 -0.46 2.37 2.43 -1.21 -0.62 114.38 117.72 3bfp h ARG 61 Ca 0.04 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3bfp h ARG 61 Cb 0.88 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 3bfp h ARG 61 CO 0.07 0.28 0.12 -0.22 -1.51 0.00 0.00 179.97 178.71 3bfp h LYS 62 N 0.44 0.74 -0.03 0.20 3.64 -1.38 0.83 116.57 121.01 3bfp h LYS 62 Ca 0.32 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3bfp h LYS 62 Cb 0.40 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3bfp h LYS 62 CO -0.31 0.73 0.01 0.87 -2.27 0.00 0.00 179.45 178.48 3bfp h LYS 63 N 0.62 0.04 -0.84 1.90 6.56 -1.06 -1.05 116.57 122.74 3bfp h LYS 63 Ca 0.15 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.71 3bfp h LYS 63 Cb 0.31 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.93 3bfp h LYS 63 CO 0.00 0.14 0.44 0.82 -2.06 0.00 0.00 179.45 178.79 3bfp h ILE 64 N -0.07 1.25 -0.44 1.86 1.08 -1.07 -1.90 117.51 118.22 3bfp h ILE 64 Ca 0.01 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.90 3bfp h ILE 64 Cb 0.12 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 33.95 3bfp h ILE 64 CO -0.00 0.29 0.04 0.22 -0.69 0.00 0.00 178.15 178.01 3bfp h TYR 65 N 1.18 0.05 -0.46 1.37 3.20 -0.58 -0.32 116.97 121.41 3bfp h TYR 65 Ca 0.29 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 3bfp h TYR 65 Cb 0.07 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3bfp h TYR 65 CO 0.01 -0.05 0.17 1.96 -1.64 0.00 0.00 178.16 178.61 3bfp h GLN 66 N 0.15 0.70 -0.21 1.82 4.20 -0.65 -1.57 115.11 119.56 3bfp h GLN 66 Ca 0.22 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3bfp h GLN 66 Cb 0.30 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3bfp h GLN 66 CO -0.33 0.65 0.08 0.87 -0.67 0.00 0.00 178.83 179.44 3bfp h LYS 67 N 0.61 0.31 -0.61 1.46 6.56 -1.03 -1.90 116.57 121.96 3bfp h LYS 67 Ca 0.15 -0.06 -0.07 0.00 -1.06 0.00 0.00 60.65 59.61 3bfp h LYS 67 Cb 0.22 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 3bfp h LYS 67 CO -0.01 0.37 0.10 0.82 -2.06 0.00 0.00 179.45 178.66 3bfp h ILE 68 N 0.18 1.26 -0.48 1.86 2.04 -1.02 -2.66 117.51 118.70 3bfp h ILE 68 Ca 0.07 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 3bfp h ILE 68 Cb 0.17 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3bfp h ILE 68 CO -0.01 0.37 0.12 -1.28 0.00 0.00 0.00 178.15 177.36 3bfp h SER 69 N 0.93 0.66 0.91 1.72 0.87 -1.23 -2.51 113.55 114.90 3bfp h SER 69 Ca 0.19 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3bfp h SER 69 Cb 0.43 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3bfp h SER 69 CO 0.01 0.65 0.00 -0.62 -0.53 0.00 0.00 176.83 176.34 3bfp n GLU 70 N -4.30 0.10 -0.73 2.24 1.02 -0.72 -2.90 120.64 115.35 3bfp n GLU 70 Ca 0.03 0.21 0.08 0.00 -0.02 0.00 0.00 57.16 57.46 3bfp n GLU 70 Cb 0.21 -1.65 0.36 0.00 -0.02 0.00 0.00 31.44 30.33 3bfp n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bfp n ASN 71 N -1.83 5.07 -0.34 1.62 3.02 -0.95 -4.96 115.26 116.89 3bfp n ASN 71 Ca 0.05 -2.85 -0.04 0.00 -0.03 0.00 0.00 54.58 51.71 3bfp n ASN 71 Cb 0.29 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 3bfp n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bfp n GLY 72 N 0.44 0.46 3.91 7.41 0.00 -1.14 -5.02 105.19 111.25 3bfp n GLY 72 Ca 0.26 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 3bfp n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bfp s PHE 73 N -2.16 3.52 -0.25 1.61 0.40 -1.16 -5.05 117.98 114.91 3bfp s PHE 73 Ca 0.00 0.37 -0.20 0.00 -0.60 0.00 0.00 56.93 56.50 3bfp s PHE 73 Cb 0.00 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 3bfp s PHE 73 CO 0.00 0.57 0.59 0.21 0.70 0.00 0.00 175.22 177.29 3bfp s LYS 74 N -2.33 4.12 -0.53 0.44 2.20 -1.26 -4.54 119.74 117.83 3bfp s LYS 74 Ca 0.34 0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 56.26 3bfp s LYS 74 Cb -0.13 -3.64 0.11 0.00 -1.51 0.00 0.00 37.83 32.66 3bfp s LYS 74 CO 0.24 -0.35 0.53 0.42 -0.36 0.00 0.00 175.35 175.83 3bfp s ILE 75 N 2.31 5.11 0.86 5.43 1.01 -1.26 -0.99 121.20 133.66 3bfp s ILE 75 Ca 0.25 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 3bfp s ILE 75 Cb -0.16 -4.32 0.11 0.00 0.01 0.00 0.00 42.46 38.10 3bfp s ILE 75 CO 0.09 -0.85 1.16 0.68 0.00 0.00 0.00 174.94 176.01 3bfp s VAL 76 N 1.92 2.04 0.05 2.92 -7.23 -0.56 -2.45 120.40 117.09 3bfp s VAL 76 Ca 0.06 0.01 -0.15 0.00 -1.81 0.00 0.00 61.98 60.09 3bfp s VAL 76 Cb -0.27 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 33.73 3bfp s VAL 76 CO 0.05 -0.02 0.47 0.20 -0.31 0.00 0.00 175.10 175.49 3bfp s ASN 77 N -4.29 6.84 -0.28 4.85 0.01 -1.26 -2.51 114.94 118.30 3bfp s ASN 77 Ca 0.63 1.02 -0.07 0.00 -0.71 0.00 0.00 52.86 53.73 3bfp s ASN 77 Cb -0.13 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.26 3bfp s ASN 77 CO 0.51 0.25 0.07 -0.76 -1.51 0.00 0.00 177.10 175.66 3bfp s LEU 78 N -1.38 3.65 -0.19 0.60 1.43 -0.14 -4.94 118.68 117.71 3bfp s LEU 78 Ca 0.29 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3bfp s LEU 78 Cb -0.17 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.23 3bfp s LEU 78 CO 0.16 -0.13 -0.02 -0.63 0.23 0.00 0.00 176.35 175.96 3bfp s ILE 79 N 1.53 0.98 0.42 -0.59 1.01 -1.26 -0.18 121.20 123.11 3bfp s ILE 79 Ca 0.04 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.69 3bfp s ILE 79 Cb -0.16 -1.30 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 3bfp s ILE 79 CO 0.02 -0.06 1.43 -2.28 0.00 0.00 0.00 174.94 174.05 3bfp s HIS 80 N 1.66 2.56 0.62 3.97 5.65 -0.34 -4.77 115.29 124.64 3bfp s HIS 80 Ca -0.02 1.26 0.33 0.00 0.25 0.00 0.00 55.06 56.88 3bfp s HIS 80 Cb -0.17 -3.91 1.89 0.00 -1.18 0.00 0.00 32.58 29.21 3bfp s HIS 80 CO -0.07 -2.82 2.18 0.87 -0.65 0.00 0.00 174.74 174.25 3bfp h LYS 81 N 2.60 0.00 -0.00 2.88 1.57 -1.91 -1.00 116.57 120.70 3bfp h LYS 81 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3bfp h LYS 81 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3bfp h LYS 81 CO 0.62 0.00 -0.15 -1.13 -0.57 0.00 0.00 179.45 178.22 3bfp n SER 82 N -3.52 0.27 -4.71 0.86 3.41 -1.26 -4.81 113.62 103.86 3bfp n SER 82 Ca -0.01 -0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 3bfp n SER 82 Cb 0.21 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3bfp n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bfp s ALA 83 N -2.78 3.52 -0.28 7.33 0.00 -0.38 -3.72 121.76 125.44 3bfp s ALA 83 Ca 0.20 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 3bfp s ALA 83 Cb 0.19 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3bfp s ALA 83 CO 0.54 -0.58 0.13 -0.51 0.00 0.00 0.00 175.76 175.34 3bfp s LEU 84 N 1.25 3.84 -0.15 0.00 1.43 0.02 -4.97 118.68 120.09 3bfp s LEU 84 Ca 0.62 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3bfp s LEU 84 Cb -0.33 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 43.89 3bfp s LEU 84 CO 0.29 -0.09 -0.20 -0.63 0.23 0.00 0.00 176.35 175.95 3bfp s ILE 85 N 1.66 1.95 0.35 -0.59 1.01 -1.26 -0.70 121.20 123.62 3bfp s ILE 85 Ca 0.06 -0.89 -0.28 0.00 0.00 0.00 0.00 60.65 59.54 3bfp s ILE 85 Cb -0.16 -1.75 -0.12 0.00 0.01 0.00 0.00 42.46 40.44 3bfp s ILE 85 CO 0.07 0.52 1.40 -0.24 0.00 0.00 0.00 174.94 176.69 3bfp n SER 86 N 4.36 3.29 0.13 3.58 2.88 -0.05 -4.87 113.62 122.95 3bfp n SER 86 Ca -0.20 1.21 0.19 0.00 -1.33 0.00 0.00 58.87 58.74 3bfp n SER 86 Cb 0.51 -1.55 0.77 0.00 -0.75 0.00 0.00 64.21 63.19 3bfp n SER 86 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3bfp h PRO 87 N 2.86 0.00 -0.01 -1.46 0.11 -1.96 -1.06 132.00 130.48 3bfp h PRO 87 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bfp h PRO 87 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3bfp h PRO 87 CO 0.64 0.00 -0.26 -1.13 -0.21 0.00 0.00 178.00 177.04 3bfp n SER 88 N -3.87 1.67 -4.78 -2.05 3.41 -1.26 -4.91 113.62 101.83 3bfp n SER 88 Ca 0.05 -1.33 -0.32 0.00 -0.26 0.00 0.00 58.87 57.01 3bfp n SER 88 Cb 0.48 0.21 0.04 0.00 -0.26 0.00 0.00 64.21 64.69 3bfp n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bfp s ALA 89 N -2.35 2.54 -0.21 7.33 0.00 -0.40 -2.97 121.76 125.69 3bfp s ALA 89 Ca 0.25 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 3bfp s ALA 89 Cb 0.19 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 20.06 3bfp s ALA 89 CO 0.48 -1.20 -0.12 0.42 0.00 0.00 0.00 175.76 175.34 3bfp s ILE 90 N -2.52 2.54 -0.21 0.00 1.01 0.35 -4.90 121.20 117.46 3bfp s ILE 90 Ca 0.64 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3bfp s ILE 90 Cb -0.18 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.13 3bfp s ILE 90 CO 0.43 0.36 -0.15 -0.69 0.00 0.00 0.00 174.94 174.90 3bfp s VAL 91 N 1.32 2.27 0.18 2.92 1.01 -1.26 -0.53 120.40 126.30 3bfp s VAL 91 Ca 0.02 -1.12 -0.33 0.00 0.00 0.00 0.00 61.98 60.55 3bfp s VAL 91 Cb -0.15 -2.09 -0.13 0.00 0.00 0.00 0.00 36.38 34.01 3bfp s VAL 91 CO -0.08 0.33 1.68 1.21 0.00 0.00 0.00 175.10 178.23 3bfp n GLU 92 N 4.58 2.52 -2.60 2.72 2.13 -1.04 -4.91 120.64 124.05 3bfp n GLU 92 Ca -0.18 0.91 -0.37 0.00 0.66 0.00 0.00 57.16 58.18 3bfp n GLU 92 Cb 0.47 -2.73 -0.05 0.00 0.27 0.00 0.00 31.44 29.41 3bfp n GLU 92 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3bfp s GLU 93 N 1.20 4.33 -1.17 5.31 2.12 -1.26 -3.93 118.70 125.30 3bfp s GLU 93 Ca 0.77 1.50 -0.29 0.00 0.36 0.00 0.00 54.97 57.31 3bfp s GLU 93 Cb -0.58 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.15 3bfp s GLU 93 CO 0.35 0.01 0.73 0.09 -0.54 0.00 0.00 175.26 175.90 3bfp n ASN 94 N 0.24 -4.65 -0.53 -1.70 3.02 -1.26 -4.90 115.26 105.47 3bfp n ASN 94 Ca 0.03 -1.18 0.04 0.00 -0.03 0.00 0.00 54.58 53.45 3bfp n ASN 94 Cb 0.49 -2.34 0.06 0.00 -0.61 0.00 0.00 39.78 37.38 3bfp n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bfp n ALA 95 N -4.66 2.29 -2.27 5.41 0.00 -1.03 -4.61 120.51 115.64 3bfp n ALA 95 Ca -0.11 -1.90 -0.19 0.00 0.00 0.00 0.00 53.44 51.24 3bfp n ALA 95 Cb 0.58 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 3bfp n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bfp n GLY 96 N -0.46 -0.14 3.75 0.00 0.00 -1.04 -0.22 105.19 107.07 3bfp n GLY 96 Ca 0.07 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3bfp n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bfp s ILE 97 N -2.94 4.78 -0.21 -0.61 1.01 -1.26 -4.10 121.20 117.87 3bfp s ILE 97 Ca 0.00 1.50 -0.08 0.00 0.00 0.00 0.00 60.65 62.07 3bfp s ILE 97 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3bfp s ILE 97 CO 0.00 0.39 0.08 -0.22 0.00 0.00 0.00 174.94 175.19 3bfp s LEU 98 N -0.14 3.72 -0.24 2.97 2.96 -0.57 -0.97 118.68 126.42 3bfp s LEU 98 Ca 0.36 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3bfp s LEU 98 Cb -0.20 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.59 3bfp s LEU 98 CO 0.21 0.08 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.65 3bfp s ILE 99 N 0.93 1.51 0.86 6.68 1.01 0.75 -0.81 121.20 132.13 3bfp s ILE 99 Ca 0.04 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 3bfp s ILE 99 Cb -0.14 -1.81 0.14 0.00 0.01 0.00 0.00 42.46 40.66 3bfp s ILE 99 CO 0.03 -0.15 1.21 -0.04 0.00 0.00 0.00 174.94 175.99 3bfp s MET 100 N 1.39 1.33 0.58 2.79 -1.94 -0.30 -1.20 119.30 121.95 3bfp s MET 100 Ca -0.04 -0.30 -0.20 0.00 -1.71 0.00 0.00 55.69 53.43 3bfp s MET 100 Cb -0.19 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 3bfp s MET 100 CO -0.07 -1.93 1.27 -2.30 -0.01 0.00 0.00 175.02 171.98 3bfp n PRO 101 N -3.44 1.41 -1.31 2.03 -0.02 -1.26 -3.02 135.00 129.39 3bfp n PRO 101 Ca 0.12 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 3bfp n PRO 101 Cb 0.60 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 3bfp n PRO 101 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bfp n TYR 102 N -1.34 0.00 -2.39 6.00 4.01 -1.24 -1.90 117.16 120.29 3bfp n TYR 102 Ca 0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.47 3bfp n TYR 102 Cb 0.46 -2.54 -0.03 0.00 -0.31 0.00 0.00 39.34 36.91 3bfp n TYR 102 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3bfp s VAL 103 N -2.04 3.34 -0.07 -0.72 1.01 -1.17 -4.06 120.40 116.70 3bfp s VAL 103 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.22 3bfp s VAL 103 Cb 0.00 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.67 3bfp s VAL 103 CO 0.00 0.18 -0.17 -0.69 0.00 0.00 0.00 175.10 174.42 3bfp s VAL 104 N -1.35 1.53 -0.22 2.92 1.01 -1.03 -0.80 120.40 122.46 3bfp s VAL 104 Ca 0.52 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3bfp s VAL 104 Cb -0.30 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 34.78 3bfp s VAL 104 CO 0.39 0.44 -0.08 -0.63 0.00 0.00 0.00 175.10 175.22 3bfp s ILE 105 N 0.45 1.63 0.79 2.22 1.01 0.13 -0.76 121.20 126.68 3bfp s ILE 105 Ca -0.15 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.29 3bfp s ILE 105 Cb -0.16 -1.80 0.15 0.00 0.01 0.00 0.00 42.46 40.66 3bfp s ILE 105 CO 0.05 0.03 1.10 0.20 0.00 0.00 0.00 174.94 176.32 3bfp s ASN 106 N 1.37 3.99 0.15 3.58 0.02 -0.14 -0.87 114.94 123.04 3bfp s ASN 106 Ca -0.04 -0.12 -0.34 0.00 -1.02 0.00 0.00 52.86 51.33 3bfp s ASN 106 Cb -0.18 -0.17 -0.16 0.00 0.02 0.00 0.00 41.25 40.77 3bfp s ASN 106 CO -0.07 -2.12 1.25 0.00 0.02 0.00 0.00 177.10 176.19 3bfp n ALA 107 N -3.13 -0.65 -0.76 0.60 0.00 -1.26 -2.29 120.51 113.03 3bfp n ALA 107 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3bfp n ALA 107 Cb 0.60 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3bfp n ALA 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3bfp n LYS 108 N 2.09 -0.52 -1.89 0.00 5.02 -1.16 -1.26 118.16 120.44 3bfp n LYS 108 Ca 0.16 0.13 -0.35 0.00 -2.02 0.00 0.00 58.31 56.24 3bfp n LYS 108 Cb 0.23 -4.16 0.04 0.00 -0.02 0.00 0.00 35.03 31.12 3bfp n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bfp s ALA 109 N -1.59 2.48 -0.10 7.82 0.00 -0.97 -4.10 121.76 125.30 3bfp s ALA 109 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.77 3bfp s ALA 109 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3bfp s ALA 109 CO 0.00 -1.23 -0.12 0.21 0.00 0.00 0.00 175.76 174.62 3bfp s LYS 110 N -3.66 1.92 -0.20 0.00 2.20 0.27 -0.50 119.74 119.77 3bfp s LYS 110 Ca 0.72 -0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.85 3bfp s LYS 110 Cb -0.25 -1.70 -0.02 0.00 -1.51 0.00 0.00 37.83 34.35 3bfp s LYS 110 CO 0.36 -0.10 -0.04 0.42 -0.36 0.00 0.00 175.35 175.63 3bfp s ILE 111 N 1.11 3.54 0.59 5.43 -1.09 0.31 -0.84 121.20 130.24 3bfp s ILE 111 Ca -0.05 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3bfp s ILE 111 Cb -0.14 -2.59 0.05 0.00 -1.58 0.00 0.00 42.46 38.19 3bfp s ILE 111 CO -0.02 0.44 0.83 -1.61 -1.23 0.00 0.00 174.94 173.34 3bfp s GLU 112 N 1.11 2.42 0.42 2.79 2.02 -0.70 -2.49 118.70 124.26 3bfp s GLU 112 Ca 0.02 -0.75 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 3bfp s GLU 112 Cb -0.15 -2.43 -0.10 0.00 0.10 0.00 0.00 34.13 31.55 3bfp s GLU 112 CO -0.00 -0.85 1.10 0.36 0.02 0.00 0.00 175.26 175.89 3bfp n LYS 113 N -2.46 1.52 -0.91 1.61 2.85 -1.26 -3.01 118.16 116.50 3bfp n LYS 113 Ca 0.09 0.55 0.00 0.00 -1.05 0.00 0.00 58.31 57.89 3bfp n LYS 113 Cb 0.60 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 3bfp n LYS 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bfp n GLY 114 N 1.06 0.63 3.76 2.58 0.00 0.69 -0.78 105.19 113.13 3bfp n GLY 114 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3bfp n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bfp s VAL 115 N -2.76 2.63 -0.20 1.61 1.01 -1.16 -4.05 120.40 117.47 3bfp s VAL 115 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 3bfp s VAL 115 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3bfp s VAL 115 CO 0.00 -0.01 -0.04 -0.63 0.00 0.00 0.00 175.10 174.42 3bfp s ILE 116 N -1.45 3.56 -0.39 2.22 1.01 -0.13 -1.51 121.20 124.51 3bfp s ILE 116 Ca 0.68 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 3bfp s ILE 116 Cb -0.34 -2.60 0.10 0.00 0.01 0.00 0.00 42.46 39.63 3bfp s ILE 116 CO 0.40 0.44 0.18 -0.76 0.00 0.00 0.00 174.94 175.20 3bfp s LEU 117 N 1.14 5.03 0.84 2.97 1.43 0.01 -0.48 118.68 129.63 3bfp s LEU 117 Ca 0.02 -1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 51.19 3bfp s LEU 117 Cb -0.15 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.37 3bfp s LEU 117 CO -0.00 -0.50 1.18 0.21 0.23 0.00 0.00 176.35 177.46 3bfp s ASN 118 N 1.81 3.93 0.14 2.29 3.04 0.13 -1.15 114.94 125.13 3bfp s ASN 118 Ca 0.05 0.31 -0.35 0.00 0.04 0.00 0.00 52.86 52.91 3bfp s ASN 118 Cb -0.22 -0.62 -0.15 0.00 -1.54 0.00 0.00 41.25 38.72 3bfp s ASN 118 CO -0.03 -2.20 1.38 0.41 -3.04 0.00 0.00 177.10 173.63 3bfp n THR 119 N -3.36 0.23 -1.12 -5.21 -1.04 -1.26 -1.67 114.28 100.86 3bfp n THR 119 Ca 0.12 -0.06 -0.04 0.00 -2.04 0.00 0.00 64.05 62.03 3bfp n THR 119 Cb 0.60 -1.09 -0.02 0.00 -1.82 0.00 0.00 70.33 68.01 3bfp n THR 119 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3bfp n SER 120 N 2.65 -5.27 -4.76 8.00 7.64 -0.80 -1.49 113.62 119.60 3bfp n SER 120 Ca 0.17 0.11 -0.33 0.00 1.01 0.00 0.00 58.87 59.82 3bfp n SER 120 Cb 0.24 -3.14 0.05 0.00 -1.01 0.00 0.00 64.21 60.35 3bfp n SER 120 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3bfp s SER 121 N -2.21 4.96 -0.06 6.43 1.04 -0.67 -4.13 113.70 119.06 3bfp s SER 121 Ca 0.00 2.07 0.01 0.00 0.48 0.00 0.00 55.95 58.51 3bfp s SER 121 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.58 3bfp s SER 121 CO 0.00 -1.73 -0.08 -0.69 0.98 0.00 0.00 173.24 171.72 3bfp s VAL 122 N -2.26 0.83 -0.36 5.02 1.01 -0.80 -2.45 120.40 121.39 3bfp s VAL 122 Ca 0.68 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 3bfp s VAL 122 Cb -0.22 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.42 3bfp s VAL 122 CO 0.42 0.30 0.11 -0.63 0.00 0.00 0.00 175.10 175.29 3bfp s ILE 123 N 1.02 3.18 0.99 2.22 -1.09 0.06 -0.72 121.20 126.87 3bfp s ILE 123 Ca -0.09 -1.71 -0.15 0.00 -2.23 0.00 0.00 60.65 56.48 3bfp s ILE 123 Cb -0.14 -3.01 0.19 0.00 -1.58 0.00 0.00 42.46 37.91 3bfp s ILE 123 CO -0.00 -0.40 1.19 -1.61 -1.23 0.00 0.00 174.94 172.88 3bfp s GLU 124 N 1.20 0.48 0.29 2.79 2.02 -0.44 -0.97 118.70 124.07 3bfp s GLU 124 Ca 0.02 -0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 3bfp s GLU 124 Cb -0.21 -1.79 -0.14 0.00 0.10 0.00 0.00 34.13 32.09 3bfp s GLU 124 CO -0.02 -2.59 1.15 -2.39 0.02 0.00 0.00 175.26 171.43 3bfp n HIS 125 N -3.98 1.67 -1.14 1.61 1.44 -1.26 -2.83 115.22 110.72 3bfp n HIS 125 Ca 0.11 0.63 -0.05 0.00 -2.01 0.00 0.00 57.72 56.40 3bfp n HIS 125 Cb 0.59 -2.32 -0.02 0.00 0.12 0.00 0.00 29.99 28.36 3bfp n HIS 125 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3bfp n GLU 126 N 0.92 -1.01 -1.64 -1.40 1.02 -0.39 -1.18 120.64 116.96 3bfp n GLU 126 Ca 0.09 0.55 -0.32 0.00 -0.02 0.00 0.00 57.16 57.45 3bfp n GLU 126 Cb 0.32 -4.46 0.06 0.00 -0.02 0.00 0.00 31.44 27.34 3bfp n GLU 126 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bfp s VAL 128 N -2.55 1.52 -0.37 0.00 1.01 -0.49 -0.57 120.40 118.95 3bfp s VAL 128 Ca 0.64 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 3bfp s VAL 128 Cb -0.19 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 34.82 3bfp s VAL 128 CO 0.46 0.45 0.16 -0.63 0.00 0.00 0.00 175.10 175.54 3bfp s ILE 129 N 1.38 4.01 0.72 2.22 -1.09 -0.02 -0.50 121.20 127.92 3bfp s ILE 129 Ca 0.02 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.10 3bfp s ILE 129 Cb -0.13 -3.33 0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3bfp s ILE 129 CO -0.08 -0.29 1.24 -0.83 -1.23 0.00 0.00 174.94 173.75 3bfp s GLY 130 N 1.62 2.50 0.25 6.18 0.00 0.24 -1.72 107.32 116.40 3bfp s GLY 130 Ca 0.00 1.01 -0.29 0.00 0.00 0.00 0.00 44.72 45.44 3bfp s GLY 130 CO 0.03 1.43 1.04 1.18 0.00 0.00 0.00 173.10 176.77 3bfp n GLU 131 N -2.55 1.26 -2.27 2.90 1.02 -1.26 -2.29 120.64 117.45 3bfp n GLU 131 Ca 0.14 0.44 -0.17 0.00 -0.02 0.00 0.00 57.16 57.56 3bfp n GLU 131 Cb 0.49 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 3bfp n GLU 131 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3bfp n PHE 132 N 0.58 -1.03 -2.20 -0.32 3.72 0.03 -1.17 117.46 117.07 3bfp n PHE 132 Ca 0.11 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.23 3bfp n PHE 132 Cb 0.30 -3.37 0.02 0.00 -0.94 0.00 0.00 39.48 35.48 3bfp n PHE 132 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3bfp s SER 133 N -2.10 5.93 -0.20 4.37 0.01 -0.97 -3.84 113.70 116.89 3bfp s SER 133 Ca 0.00 1.06 -0.01 0.00 1.31 0.00 0.00 55.95 58.31 3bfp s SER 133 Cb 0.00 -2.12 0.05 0.00 0.21 0.00 0.00 66.02 64.17 3bfp s SER 133 CO 0.00 -0.93 -0.02 -2.28 0.41 0.00 0.00 173.24 170.42 3bfp s HIS 134 N -3.05 1.71 -0.34 2.43 2.46 -0.22 -0.95 115.29 117.32 3bfp s HIS 134 Ca 0.53 -1.24 -0.09 0.00 0.47 0.00 0.00 55.06 54.73 3bfp s HIS 134 Cb -0.11 -1.30 0.03 0.00 -0.13 0.00 0.00 32.58 31.07 3bfp s HIS 134 CO 0.49 -0.67 0.15 0.08 -2.47 0.00 0.00 174.74 172.32 3bfp s VAL 135 N 1.63 4.20 0.93 0.89 1.01 0.37 -0.95 120.40 128.47 3bfp s VAL 135 Ca -0.02 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3bfp s VAL 135 Cb -0.17 -3.31 0.16 0.00 0.00 0.00 0.00 36.38 33.06 3bfp s VAL 135 CO -0.07 -0.14 1.23 -0.44 0.00 0.00 0.00 175.10 175.68 3bfp s SER 136 N 1.50 3.41 0.08 3.32 0.01 -0.32 -0.69 113.70 120.99 3bfp s SER 136 Ca 0.01 0.57 -0.35 0.00 1.31 0.00 0.00 55.95 57.48 3bfp s SER 136 Cb -0.19 -0.85 -0.15 0.00 0.21 0.00 0.00 66.02 65.04 3bfp s SER 136 CO 0.05 -2.58 1.53 0.52 0.41 0.00 0.00 173.24 173.17 3bfp n VAL 137 N -3.72 0.08 -0.91 3.43 0.31 -1.26 -1.85 118.33 114.41 3bfp n VAL 137 Ca 0.11 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3bfp n VAL 137 Cb 0.60 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 3bfp n VAL 137 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bfp n GLY 138 N 3.23 0.74 3.77 2.92 0.00 -0.56 -1.58 105.19 113.72 3bfp n GLY 138 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3bfp n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfp s ALA 139 N -3.18 3.27 -0.06 4.61 0.00 -0.77 -4.07 121.76 121.56 3bfp s ALA 139 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 3bfp s ALA 139 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3bfp s ALA 139 CO 0.00 -0.10 -0.13 0.15 0.00 0.00 0.00 175.76 175.68 3bfp s LYS 140 N -1.82 1.65 -0.21 0.00 -0.14 -0.43 -1.90 119.74 116.89 3bfp s LYS 140 Ca 0.49 -0.45 -0.05 0.00 -1.36 0.00 0.00 55.97 54.60 3bfp s LYS 140 Cb -0.27 -1.39 -0.02 0.00 -1.68 0.00 0.00 37.83 34.47 3bfp s LYS 140 CO 0.34 0.09 0.00 0.00 -0.76 0.00 0.00 175.35 175.02 3bfp s ALA 142 N 1.24 1.40 0.45 0.00 0.00 -0.67 -1.33 121.76 122.85 3bfp s ALA 142 Ca 0.03 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 50.58 3bfp s ALA 142 Cb -0.15 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 3bfp s ALA 142 CO 0.01 -3.10 1.38 0.41 0.00 0.00 0.00 175.76 174.46 3bfp n GLY 143 N -2.43 0.86 2.53 0.00 0.00 -1.26 -3.00 105.19 101.88 3bfp n GLY 143 Ca 0.15 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.16 3bfp n GLY 143 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bfp n ASN 144 N -0.11 -5.52 -4.81 1.61 5.15 -0.32 -1.02 115.26 110.24 3bfp n ASN 144 Ca 0.06 -0.10 -0.38 0.00 -0.60 0.00 0.00 54.58 53.56 3bfp n ASN 144 Cb 0.41 -4.50 -0.06 0.00 -0.53 0.00 0.00 39.78 35.10 3bfp n ASN 144 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3bfp s VAL 145 N -3.00 5.10 -0.27 3.44 1.01 -1.16 -3.65 120.40 121.87 3bfp s VAL 145 Ca 0.09 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 3bfp s VAL 145 Cb -0.04 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3bfp s VAL 145 CO 0.11 0.52 -0.02 -0.54 0.00 0.00 0.00 175.10 175.17 3bfp s LYS 146 N -0.66 2.84 -0.22 2.72 -0.14 -0.10 -1.40 119.74 122.77 3bfp s LYS 146 Ca 0.23 -0.99 -0.09 0.00 -1.36 0.00 0.00 55.97 53.76 3bfp s LYS 146 Cb -0.16 -3.10 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 3bfp s LYS 146 CO 0.12 -0.44 0.12 0.42 -0.76 0.00 0.00 175.35 174.80 3bfp s ILE 147 N 1.35 5.05 1.17 2.17 -1.09 0.35 -0.57 121.20 129.63 3bfp s ILE 147 Ca -0.00 0.07 -0.17 0.00 -2.23 0.00 0.00 60.65 58.32 3bfp s ILE 147 Cb -0.17 -3.33 0.27 0.00 -1.58 0.00 0.00 42.46 37.65 3bfp s ILE 147 CO -0.02 0.38 1.07 -0.83 -1.23 0.00 0.00 174.94 174.30 3bfp s GLY 148 N 0.91 1.54 0.61 6.18 0.00 0.03 -0.59 107.32 116.01 3bfp s GLY 148 Ca 0.06 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 3bfp s GLY 148 CO 0.03 0.16 1.18 0.54 0.00 0.00 0.00 173.10 175.01 3bfp s LYS 149 N -5.08 2.90 -1.53 2.90 1.02 -1.26 -3.71 119.74 114.98 3bfp s LYS 149 Ca 0.69 1.74 -0.03 0.00 0.02 0.00 0.00 55.97 58.38 3bfp s LYS 149 Cb -0.15 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3bfp s LYS 149 CO 0.58 -1.24 0.28 -1.71 -0.92 0.00 0.00 175.35 172.34 3bfp n ASN 150 N -1.78 -5.43 -4.93 2.83 5.15 -0.32 -0.93 115.26 109.85 3bfp n ASN 150 Ca 0.13 -0.12 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 3bfp n ASN 150 Cb 0.50 -4.48 -0.01 0.00 -0.53 0.00 0.00 39.78 35.27 3bfp n ASN 150 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bfp s PHE 152 N -2.51 1.68 -0.20 0.00 5.36 -0.50 -1.05 117.98 120.76 3bfp s PHE 152 Ca 0.43 -0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 55.65 3bfp s PHE 152 Cb -0.10 -1.24 -0.00 0.00 -0.34 0.00 0.00 43.02 41.34 3bfp s PHE 152 CO 0.40 -0.39 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.16 3bfp s LEU 153 N 0.95 2.68 0.93 6.12 1.43 -0.12 -0.40 118.68 130.27 3bfp s LEU 153 Ca -0.08 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 3bfp s LEU 153 Cb -0.15 -1.66 0.16 0.00 0.03 0.00 0.00 46.19 44.57 3bfp s LEU 153 CO -0.00 0.01 1.20 -0.83 0.23 0.00 0.00 176.35 176.95 3bfp s GLY 154 N 1.29 1.64 0.24 -3.19 0.00 0.10 -1.18 107.32 106.23 3bfp s GLY 154 Ca 0.04 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.65 3bfp s GLY 154 CO -0.05 -0.15 1.42 1.39 0.00 0.00 0.00 173.10 175.71 3bfp n ILE 155 N -3.77 0.92 -1.56 0.90 5.41 -1.26 -2.03 119.36 117.96 3bfp n ILE 155 Ca 0.10 -0.23 -0.19 0.00 1.00 0.00 0.00 62.75 63.43 3bfp n ILE 155 Cb 0.60 -1.50 -0.08 0.00 -0.71 0.00 0.00 39.64 37.94 3bfp n ILE 155 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3bfp n ASN 156 N 2.19 -5.08 -4.90 4.38 5.03 -0.62 -0.01 115.26 116.26 3bfp n ASN 156 Ca 0.12 0.48 -0.29 0.00 0.87 0.00 0.00 54.58 55.75 3bfp n ASN 156 Cb 0.32 -4.53 0.08 0.00 -1.02 0.00 0.00 39.78 34.63 3bfp n ASN 156 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3bfp s SER 157 N -2.63 4.73 0.12 6.41 1.04 -0.86 -4.13 113.70 118.37 3bfp s SER 157 Ca 0.00 0.82 -0.16 0.00 0.48 0.00 0.00 55.95 57.08 3bfp s SER 157 Cb 0.00 -1.39 0.04 0.00 0.10 0.00 0.00 66.02 64.77 3bfp s SER 157 CO 0.00 -1.76 0.41 0.00 0.98 0.00 0.00 173.24 172.87 3bfp s VAL 159 N -3.72 1.28 0.90 0.00 1.01 -0.63 -0.63 120.40 118.61 3bfp s VAL 159 Ca 0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 3bfp s VAL 159 Cb 0.02 -1.21 0.13 0.00 0.00 0.00 0.00 36.38 35.32 3bfp s VAL 159 CO -0.11 0.40 1.09 -0.76 0.00 0.00 0.00 175.10 175.72 3bfp s LEU 160 N 1.24 2.23 0.46 3.92 1.43 -0.91 -1.67 118.68 125.38 3bfp s LEU 160 Ca -0.03 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.34 3bfp s LEU 160 Cb -0.14 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 42.09 3bfp s LEU 160 CO -0.04 -2.69 1.07 -2.65 0.23 0.00 0.00 176.35 172.27 3bfp n PRO 161 N -3.92 1.41 -1.08 1.29 -0.02 -1.26 -3.50 135.00 127.91 3bfp n PRO 161 Ca 0.07 0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 3bfp n PRO 161 Cb 0.55 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 3bfp n PRO 161 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bfp n ASN 162 N 0.13 -4.39 -4.91 2.55 5.03 -0.19 -4.97 115.26 108.50 3bfp n ASN 162 Ca 0.10 0.07 -0.30 0.00 0.87 0.00 0.00 54.58 55.32 3bfp n ASN 162 Cb 0.41 -2.14 -0.04 0.00 -1.02 0.00 0.00 39.78 36.99 3bfp n ASN 162 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3bfp s LEU 163 N -0.65 4.27 -0.04 3.41 1.43 -1.23 -4.90 118.68 120.97 3bfp s LEU 163 Ca 0.00 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 3bfp s LEU 163 Cb 0.00 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 3bfp s LEU 163 CO 0.00 0.04 -0.24 -0.44 0.23 0.00 0.00 176.35 175.94 3bfp s SER 164 N -2.76 3.22 -0.17 2.29 0.01 -1.26 -0.93 113.70 114.10 3bfp s SER 164 Ca 0.39 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.21 3bfp s SER 164 Cb -0.12 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.49 3bfp s SER 164 CO 0.27 0.29 -0.17 -0.22 0.41 0.00 0.00 173.24 173.82 3bfp s LEU 165 N -0.43 2.29 0.68 2.44 2.96 0.27 -0.94 118.68 125.94 3bfp s LEU 165 Ca 0.05 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.21 3bfp s LEU 165 Cb -0.12 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.06 3bfp s LEU 165 CO 0.01 0.03 1.25 0.00 -1.32 0.00 0.00 176.35 176.32 3bfp s ALA 166 N 1.13 2.27 0.39 5.97 0.00 -0.28 -0.79 121.76 130.46 3bfp s ALA 166 Ca 0.01 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.79 3bfp s ALA 166 Cb -0.14 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.34 3bfp s ALA 166 CO -0.07 -1.68 0.53 -0.25 0.00 0.00 0.00 175.76 174.28 3bfp n ASP 167 N -2.23 -0.97 -1.20 0.00 8.00 -1.26 -3.01 116.55 115.87 3bfp n ASP 167 Ca 0.15 0.94 -0.13 0.00 0.71 0.00 0.00 54.79 56.46 3bfp n ASP 167 Cb 0.49 -1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 3bfp n ASP 167 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bfp n ASP 168 N 1.46 -4.22 -4.97 -2.24 8.00 -0.11 -4.48 116.55 110.00 3bfp n ASP 168 Ca 0.12 0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.55 3bfp n ASP 168 Cb 0.38 -3.13 -0.01 0.00 -0.02 0.00 0.00 41.12 38.33 3bfp n ASP 168 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3bfp s SER 169 N -2.64 6.19 -0.09 -2.24 0.01 -1.17 -4.61 113.70 109.16 3bfp s SER 169 Ca 0.00 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.41 3bfp s SER 169 Cb 0.00 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.51 3bfp s SER 169 CO 0.00 -0.26 -0.14 -0.63 0.41 0.00 0.00 173.24 172.62 3bfp s ILE 170 N -2.16 1.31 -0.23 1.44 1.01 -0.65 -1.41 121.20 120.51 3bfp s ILE 170 Ca 0.39 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 3bfp s ILE 170 Cb -0.09 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 3bfp s ILE 170 CO 0.32 0.40 -0.04 -0.22 0.00 0.00 0.00 174.94 175.40 3bfp s LEU 171 N 0.85 2.96 0.91 2.97 2.96 0.46 -0.49 118.68 129.30 3bfp s LEU 171 Ca -0.10 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.27 3bfp s LEU 171 Cb -0.15 -1.75 0.14 0.00 0.50 0.00 0.00 46.19 44.93 3bfp s LEU 171 CO 0.01 -0.03 1.09 -0.83 -1.32 0.00 0.00 176.35 175.27 3bfp s GLY 172 N 1.48 1.63 0.29 7.98 0.00 0.38 0.03 107.32 119.11 3bfp s GLY 172 Ca 0.05 0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.58 3bfp s GLY 172 CO -0.03 0.58 1.29 0.61 0.00 0.00 0.00 173.10 175.55 3bfp n GLY 173 N -0.70 0.52 3.15 0.20 0.00 -1.26 -2.33 105.19 104.78 3bfp n GLY 173 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3bfp n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bfp n GLY 174 N 1.43 0.52 3.86 -0.02 0.00 0.99 -4.37 105.19 107.59 3bfp n GLY 174 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3bfp n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfp s ALA 175 N -2.48 3.52 -0.25 4.61 0.00 -0.98 -4.80 121.76 121.39 3bfp s ALA 175 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3bfp s ALA 175 Cb 0.00 -2.54 0.05 0.00 0.00 0.00 0.00 23.12 20.63 3bfp s ALA 175 CO 0.00 0.45 -0.10 0.99 0.00 0.00 0.00 175.76 177.10 3bfp s THR 176 N -1.70 2.39 -0.03 0.00 2.01 -1.26 -1.29 115.64 115.76 3bfp s THR 176 Ca 0.45 -1.38 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 3bfp s THR 176 Cb -0.13 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3bfp s THR 176 CO 0.20 0.09 1.02 -0.22 -0.69 0.00 0.00 174.62 175.02 3bfp s LEU 177 N 1.19 4.33 0.00 4.42 2.96 0.20 -4.93 118.68 126.85 3bfp s LEU 177 Ca -0.05 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 3bfp s LEU 177 Cb -0.18 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3bfp s LEU 177 CO -0.06 -0.35 0.00 1.33 -1.32 0.00 0.00 176.35 175.95 3bfp n VAL 178 N 4.12 0.00 -4.19 1.68 0.24 -1.26 -2.13 118.33 116.79 3bfp n VAL 178 Ca 0.07 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.34 61.80 3bfp n VAL 178 Cb 0.50 0.89 -0.12 0.00 -1.47 0.00 0.00 33.84 33.64 3bfp n VAL 178 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3bfp s LYS 179 N -1.18 0.88 0.38 7.34 1.02 -1.26 -4.97 119.74 121.95 3bfp s LYS 179 Ca 0.00 -1.03 -0.26 0.00 0.02 0.00 0.00 55.97 54.70 3bfp s LYS 179 Cb 0.00 -0.88 -0.11 0.00 -0.52 0.00 0.00 37.83 36.31 3bfp s LYS 179 CO 0.00 0.19 1.20 0.09 -0.92 0.00 0.00 175.35 175.91 3bfp n ASN 180 N 1.11 2.23 -3.66 2.83 3.02 -1.26 -4.80 115.26 114.72 3bfp n ASN 180 Ca -0.20 1.14 -0.30 0.00 -0.03 0.00 0.00 54.58 55.19 3bfp n ASN 180 Cb 0.55 -1.44 -0.14 0.00 -0.61 0.00 0.00 39.78 38.13 3bfp n ASN 180 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3bfp s GLN 181 N -1.98 0.66 0.00 3.52 -1.52 -0.12 -4.98 119.66 115.25 3bfp s GLN 181 Ca 0.59 -1.11 0.27 0.00 -1.95 0.00 0.00 55.36 53.16 3bfp s GLN 181 Cb -0.56 -1.80 0.83 0.00 -0.22 0.00 0.00 33.01 31.27 3bfp s GLN 181 CO 0.60 -1.04 1.61 -0.40 -0.25 0.00 0.00 175.29 175.81 3bfp n ASP 182 N 4.68 1.02 -4.50 5.90 5.68 -1.26 -1.13 116.55 126.94 3bfp n ASP 182 Ca 0.00 -0.92 -0.33 0.00 -0.50 0.00 0.00 54.79 53.04 3bfp n ASP 182 Cb 0.40 0.10 -0.13 0.00 -1.14 0.00 0.00 41.12 40.36 3bfp n ASP 182 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3bfp s GLU 183 N -2.44 2.54 0.57 0.11 0.41 -1.26 -4.80 118.70 113.83 3bfp s GLU 183 Ca 0.26 -0.68 -0.20 0.00 -0.41 0.00 0.00 54.97 53.95 3bfp s GLU 183 Cb 0.19 -2.42 -0.05 0.00 -1.78 0.00 0.00 34.13 30.07 3bfp s GLU 183 CO 0.50 0.63 1.08 0.36 -0.49 0.00 0.00 175.26 177.33 3bfp n LYS 184 N 2.23 1.13 -3.51 1.61 2.85 -1.26 -4.64 118.16 116.57 3bfp n LYS 184 Ca -0.17 0.43 -0.01 0.00 -1.05 0.00 0.00 58.31 57.51 3bfp n LYS 184 Cb 0.52 -2.26 0.02 0.00 -0.65 0.00 0.00 35.03 32.66 3bfp n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bfp n GLY 185 N 1.14 0.60 3.20 2.58 0.00 -1.26 -5.03 105.19 106.42 3bfp n GLY 185 Ca 0.13 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 3bfp n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bfp s VAL 186 N -2.12 2.26 -0.20 1.61 1.01 -1.26 -1.64 120.40 120.07 3bfp s VAL 186 Ca 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3bfp s VAL 186 Cb -0.02 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.48 3bfp s VAL 186 CO 0.03 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.22 3bfp s PHE 187 N 0.79 2.31 0.16 5.22 0.08 0.36 -4.99 117.98 121.91 3bfp s PHE 187 Ca -0.07 -1.52 0.05 0.00 0.12 0.00 0.00 56.93 55.51 3bfp s PHE 187 Cb -0.16 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3bfp s PHE 187 CO -0.01 -0.73 0.11 0.14 -0.10 0.00 0.00 175.22 174.63 3bfp s VAL 188 N 1.43 4.34 0.36 -0.44 -7.23 -1.26 -0.47 120.40 117.14 3bfp s VAL 188 Ca -0.01 -1.13 0.05 0.00 -1.81 0.00 0.00 61.98 59.09 3bfp s VAL 188 Cb -0.16 -3.20 0.05 0.00 0.56 0.00 0.00 36.38 33.63 3bfp s VAL 188 CO -0.08 -0.09 0.44 0.61 -0.31 0.00 0.00 175.10 175.67 3bfp n GLY 189 N -0.25 2.21 3.74 2.32 0.00 -1.26 -4.89 105.19 107.07 3bfp n GLY 189 Ca -0.09 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 3bfp n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bfp s VAL 190 N -1.42 5.15 0.51 1.61 1.01 -1.26 -5.00 120.40 120.99 3bfp s VAL 190 Ca 0.33 0.93 -0.14 0.00 0.00 0.00 0.00 61.98 63.11 3bfp s VAL 190 Cb -0.03 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 3bfp s VAL 190 CO 0.21 0.38 0.94 -2.16 0.00 0.00 0.00 175.10 174.46 3bfp s PRO 191 N 0.29 3.84 0.42 2.72 0.04 -1.26 -5.02 135.00 136.03 3bfp s PRO 191 Ca 0.25 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 3bfp s PRO 191 Cb -0.15 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3bfp s PRO 191 CO 0.11 -0.26 1.45 0.00 0.04 0.00 0.00 177.00 178.34 3bfp s ALA 192 N -2.66 3.38 -0.13 8.56 0.00 -1.26 -5.00 121.76 124.66 3bfp s ALA 192 Ca 0.56 1.51 0.01 0.00 0.00 0.00 0.00 51.96 54.03 3bfp s ALA 192 Cb -0.10 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 3bfp s ALA 192 CO 0.35 -1.13 -0.15 0.15 0.00 0.00 0.00 175.76 174.99 3bfp s LYS 193 N -2.29 3.33 0.15 0.00 3.01 -1.26 -5.09 119.74 117.58 3bfp s LYS 193 Ca 0.57 -0.72 -0.31 0.00 -1.01 0.00 0.00 55.97 54.51 3bfp s LYS 193 Cb -0.45 -2.58 -0.09 0.00 -1.01 0.00 0.00 37.83 33.70 3bfp s LYS 193 CO 0.59 0.21 1.49 0.50 0.51 0.00 0.00 175.35 178.65 3bfp s ARG 194 N 0.35 4.26 0.00 1.68 3.52 -1.26 -5.35 118.95 122.15 3bfp s ARG 194 Ca -0.12 2.23 0.21 0.00 -0.13 0.00 0.00 55.73 57.92 3bfp s ARG 194 Cb -0.16 -3.19 0.16 0.00 -1.56 0.00 0.00 34.95 30.20 3bfp s ARG 194 CO 0.06 -0.53 1.16 -1.33 -0.81 0.00 0.00 175.30 173.85