#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fex h LEU 36 N 0.00 0.00 -0.46 2.23 3.38 -1.97 -2.27 115.31 116.23 3fex h LEU 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fex h LEU 36 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fex h LEU 36 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.70 3fex n LYS 37 N -2.76 1.12 -0.24 1.13 3.00 -1.26 -3.52 118.16 115.63 3fex n LYS 37 Ca -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 3fex n LYS 37 Cb 0.16 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 33.99 3fex n LYS 37 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3fex n LYS 38 N -0.26 0.00 -3.47 1.64 2.85 -0.87 -5.14 118.16 112.92 3fex n LYS 38 Ca 0.01 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.94 3fex n LYS 38 Cb 0.12 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.44 3fex n LYS 38 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3fex s SER 39 N 0.00 6.68 -0.40 -5.58 0.15 -1.12 -4.99 113.70 108.43 3fex s SER 39 Ca 0.00 0.90 0.06 0.00 0.70 0.00 0.00 55.95 57.60 3fex s SER 39 Cb 0.00 -2.22 0.43 0.00 -1.71 0.00 0.00 66.02 62.52 3fex s SER 39 CO 0.00 0.06 1.14 0.00 1.20 0.00 0.00 173.24 175.63 3fex s THR 41 N -5.28 0.02 -0.06 0.00 -1.32 -1.26 0.70 115.64 108.45 3fex s THR 41 Ca 0.49 -0.18 0.06 0.00 -1.21 0.00 0.00 61.69 60.85 3fex s THR 41 Cb 0.40 -0.37 -0.01 0.00 -1.51 0.00 0.00 72.50 71.02 3fex s THR 41 CO -0.13 -0.10 -0.24 -0.76 -2.21 0.00 0.00 174.62 171.19 3fex s LEU 42 N -0.31 2.05 -0.42 9.08 1.43 -0.78 -2.64 118.68 127.09 3fex s LEU 42 Ca -0.04 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 3fex s LEU 42 Cb -0.03 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.90 3fex s LEU 42 CO 0.01 0.23 0.94 -0.47 0.23 0.00 0.00 176.35 177.29 3fex s TYR 43 N -0.12 2.98 -0.28 0.29 5.04 -0.25 -0.76 117.35 124.25 3fex s TYR 43 Ca -0.04 0.57 -0.14 0.00 -2.44 0.00 0.00 57.07 55.02 3fex s TYR 43 Cb -0.14 -3.86 -0.04 0.00 0.35 0.00 0.00 41.96 38.28 3fex s TYR 43 CO 0.04 -0.99 0.33 0.08 -1.34 0.00 0.00 175.55 173.66 3fex s VAL 44 N 3.68 5.20 0.42 3.14 1.01 0.13 -1.52 120.40 132.46 3fex s VAL 44 Ca 0.38 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.81 3fex s VAL 44 Cb -0.11 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 3fex s VAL 44 CO 0.23 0.14 0.02 -0.83 0.00 0.00 0.00 175.10 174.67 3fex s GLY 45 N 1.68 2.55 -1.25 4.51 0.00 0.18 -1.13 107.32 113.87 3fex s GLY 45 Ca 0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 44.72 43.03 3fex s GLY 45 CO 0.10 -2.05 1.07 -2.01 0.00 0.00 0.00 173.10 170.21 3fex n ASN 46 N -1.00 -4.01 -4.92 1.64 5.15 -1.23 -2.00 115.26 108.89 3fex n ASN 46 Ca -0.08 -0.57 -0.30 0.00 -0.60 0.00 0.00 54.58 53.03 3fex n ASN 46 Cb 0.67 -5.01 -0.04 0.00 -0.53 0.00 0.00 39.78 34.87 3fex n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3fex s LEU 47 N -6.71 4.31 0.32 1.20 1.43 -1.19 -4.54 118.68 113.51 3fex s LEU 47 Ca 0.27 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.30 3fex s LEU 47 Cb -0.12 -2.91 -0.11 0.00 0.03 0.00 0.00 46.19 43.08 3fex s LEU 47 CO 0.72 0.14 1.55 -0.24 0.23 0.00 0.00 176.35 178.74 3fex n SER 48 N 0.08 3.78 0.00 2.29 2.88 -1.26 -4.51 113.62 116.88 3fex n SER 48 Ca -0.06 1.18 0.06 0.00 -1.33 0.00 0.00 58.87 58.72 3fex n SER 48 Cb 0.52 -1.60 0.33 0.00 -0.75 0.00 0.00 64.21 62.72 3fex n SER 48 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3fex n PHE 49 N 1.48 0.00 0.28 0.66 3.01 -1.26 -0.85 117.46 120.78 3fex n PHE 49 Ca 0.06 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.55 3fex n PHE 49 Cb 0.37 -0.03 -0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3fex n PHE 49 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3fex n TYR 50 N -1.03 0.00 -1.82 1.38 4.02 -1.26 -4.71 117.16 113.74 3fex n TYR 50 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.55 3fex n TYR 50 Cb 0.04 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 3fex n TYR 50 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3fex s THR 51 N -1.02 2.59 0.22 -0.72 2.01 -0.03 -4.99 115.64 113.70 3fex s THR 51 Ca 0.05 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.36 3fex s THR 51 Cb 0.05 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3fex s THR 51 CO 0.16 0.01 0.23 0.42 -0.69 0.00 0.00 174.62 174.74 3fex s THR 52 N 2.08 4.72 0.30 -0.82 -4.23 -1.26 -4.97 115.64 111.46 3fex s THR 52 Ca 0.76 -1.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.12 3fex s THR 52 Cb -0.45 -3.52 0.30 0.00 1.34 0.00 0.00 72.50 70.17 3fex s THR 52 CO 0.33 -0.28 1.82 -0.08 -0.54 0.00 0.00 174.62 175.87 3fex h GLU 53 N 1.64 0.85 -0.23 3.99 4.81 -1.99 -1.67 114.58 121.97 3fex h GLU 53 Ca -0.49 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.74 3fex h GLU 53 Cb 1.23 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 3fex h GLU 53 CO 0.62 0.56 -0.16 0.93 -0.73 0.00 0.00 179.01 180.23 3fex h GLU 54 N 0.87 -0.14 0.45 1.92 3.07 -1.99 -0.00 114.58 118.76 3fex h GLU 54 Ca 0.52 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 3fex h GLU 54 Cb 0.68 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 3fex h GLU 54 CO -0.30 -0.09 -0.30 1.96 -1.40 0.00 0.00 179.01 178.88 3fex h GLN 55 N -0.15 -0.70 -0.98 2.33 4.20 -1.73 -1.09 115.11 117.00 3fex h GLN 55 Ca 0.13 0.05 0.22 0.00 0.06 0.00 0.00 58.65 59.11 3fex h GLN 55 Cb 0.34 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.16 3fex h GLN 55 CO -0.32 -0.46 0.57 0.82 -0.67 0.00 0.00 178.83 178.76 3fex h ILE 56 N -0.72 0.58 0.80 2.54 1.08 -1.13 -1.07 117.51 119.58 3fex h ILE 56 Ca -0.05 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 3fex h ILE 56 Cb 0.60 -0.08 0.01 0.00 -3.07 0.00 0.00 36.82 34.28 3fex h ILE 56 CO 0.04 0.11 -0.38 0.22 -0.69 0.00 0.00 178.15 177.45 3fex h TYR 57 N 0.61 -0.99 -0.97 1.37 5.03 -0.61 -1.46 116.97 119.94 3fex h TYR 57 Ca 0.61 -0.02 0.22 0.00 2.58 0.00 0.00 58.73 62.11 3fex h TYR 57 Cb 1.09 0.33 -0.09 0.00 1.55 0.00 0.00 36.73 39.62 3fex h TYR 57 CO -0.03 -0.60 0.62 1.49 -1.32 0.00 0.00 178.16 178.33 3fex h GLU 58 N -1.21 0.49 0.10 1.82 4.57 -0.08 -1.69 114.58 118.58 3fex h GLU 58 Ca -0.11 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3fex h GLU 58 Cb 0.83 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3fex h GLU 58 CO 0.18 0.33 -0.05 1.25 -1.18 0.00 0.00 179.01 179.54 3fex h LEU 59 N 0.51 -0.11 -0.52 1.64 5.85 -1.16 -3.34 115.31 118.16 3fex h LEU 59 Ca 0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.26 3fex h LEU 59 Cb 1.19 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3fex h LEU 59 CO -0.27 0.27 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 3fex n PHE 60 N -4.30 0.33 1.42 1.25 3.01 -0.56 -1.15 117.46 117.47 3fex n PHE 60 Ca -0.02 0.16 0.12 0.00 1.01 0.00 0.00 57.45 58.72 3fex n PHE 60 Cb 0.05 -0.75 0.69 0.00 -0.01 0.00 0.00 39.48 39.46 3fex n PHE 60 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3fex n SER 61 N -1.83 0.00 0.08 4.37 7.64 -0.65 -3.08 113.62 120.15 3fex n SER 61 Ca 0.01 -0.56 -0.04 0.00 1.01 0.00 0.00 58.87 59.29 3fex n SER 61 Cb 0.07 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 3fex n SER 61 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3fex h LYS 62 N 0.00 0.00 -1.33 1.43 1.57 -1.33 -3.31 116.57 113.60 3fex h LYS 62 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 3fex h LYS 62 Cb 0.06 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.07 3fex h LYS 62 CO 0.00 0.77 0.66 -1.13 -0.57 0.00 0.00 179.45 179.17 3fex n SER 63 N -3.26 7.17 0.00 0.86 3.41 -1.18 -5.01 113.62 115.61 3fex n SER 63 Ca -0.01 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.80 3fex n SER 63 Cb 0.88 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3fex n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fex n GLY 64 N -0.75 1.01 3.77 5.00 0.00 -1.25 -4.48 105.19 108.49 3fex n GLY 64 Ca 0.57 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 3fex n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fex s ASP 65 N 0.00 7.45 0.41 1.61 1.01 -1.26 -4.38 116.67 121.51 3fex s ASP 65 Ca 0.00 1.72 0.02 0.00 0.71 0.00 0.00 52.55 55.00 3fex s ASP 65 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 3fex s ASP 65 CO 0.00 0.19 0.60 -0.63 0.21 0.00 0.00 175.17 175.54 3fex s ILE 66 N -1.11 4.06 0.00 0.77 1.01 -1.26 -3.84 121.20 120.83 3fex s ILE 66 Ca 0.37 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3fex s ILE 66 Cb -0.24 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3fex s ILE 66 CO 0.28 -0.28 0.00 1.17 0.00 0.00 0.00 174.94 176.11 3fex n LYS 67 N -1.92 0.00 -3.67 2.79 4.81 0.01 -4.85 118.16 115.33 3fex n LYS 67 Ca 0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3fex n LYS 67 Cb 0.58 -0.80 -0.08 0.00 0.02 0.00 0.00 35.03 34.74 3fex n LYS 67 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3fex s LYS 68 N -1.83 0.72 -0.02 1.64 2.47 -0.93 -5.00 119.74 116.79 3fex s LYS 68 Ca 0.00 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 3fex s LYS 68 Cb 0.00 0.35 0.02 0.00 -1.46 0.00 0.00 37.83 36.74 3fex s LYS 68 CO 0.00 -0.13 0.00 0.42 0.16 0.00 0.00 175.35 175.80 3fex s ILE 69 N -0.14 0.13 -0.23 5.43 1.01 -1.26 -0.93 121.20 125.20 3fex s ILE 69 Ca -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 3fex s ILE 69 Cb -0.03 -0.21 0.07 0.00 0.01 0.00 0.00 42.46 42.29 3fex s ILE 69 CO 0.03 0.12 0.01 -0.63 0.00 0.00 0.00 174.94 174.47 3fex s ILE 70 N 0.87 1.00 0.74 2.92 1.01 -0.80 -4.96 121.20 121.98 3fex s ILE 70 Ca -0.08 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 3fex s ILE 70 Cb -0.12 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.92 3fex s ILE 70 CO -0.02 -0.26 1.11 -0.04 0.00 0.00 0.00 174.94 175.73 3fex s MET 71 N 1.62 2.37 -0.13 2.79 -1.94 -1.26 -2.03 119.30 120.71 3fex s MET 71 Ca -0.01 1.32 -0.12 0.00 -1.71 0.00 0.00 55.69 55.18 3fex s MET 71 Cb -0.18 -1.90 -0.05 0.00 2.01 0.00 0.00 34.83 34.71 3fex s MET 71 CO -0.10 -1.58 0.25 0.20 -0.01 0.00 0.00 175.02 173.78 3fex s GLY 72 N -2.94 2.22 0.00 -0.03 0.00 -0.75 -4.93 107.32 100.89 3fex s GLY 72 Ca 0.65 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3fex s GLY 72 CO 0.50 0.13 0.00 1.04 0.00 0.00 0.00 173.10 174.76 3fex n LEU 73 N 2.83 0.00 0.03 0.66 4.32 -1.26 -1.90 117.00 121.68 3fex n LEU 73 Ca -0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.83 3fex n LEU 73 Cb 0.53 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3fex n LEU 73 CO 0.37 0.00 -0.12 0.47 -1.22 0.00 0.00 177.39 176.88 3fex n ASP 74 N 0.00 1.15 0.00 -1.43 10.43 -1.26 -4.73 116.55 120.71 3fex n ASP 74 Ca 0.00 0.16 0.00 0.00 2.57 0.00 0.00 54.79 57.52 3fex n ASP 74 Cb 0.00 -0.37 0.00 0.00 1.84 0.00 0.00 41.12 42.59 3fex n ASP 74 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3fex n THR 79 N -3.59 0.00 -0.76 -3.53 -2.24 -1.26 -5.23 114.28 97.67 3fex n THR 79 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 3fex n THR 79 Cb 0.10 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.46 3fex n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fex n ALA 80 N 0.00 -2.24 0.00 6.98 0.00 -1.26 -4.96 120.51 119.02 3fex n ALA 80 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3fex n ALA 80 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3fex n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fex n GLY 82 N 0.48 0.64 0.00 0.00 0.00 -1.26 -4.99 105.19 100.06 3fex n GLY 82 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3fex n GLY 82 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fex n PHE 83 N -0.43 0.00 -3.63 1.61 1.16 -1.26 -3.19 117.46 111.73 3fex n PHE 83 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 3fex n PHE 83 Cb 0.18 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.05 3fex n PHE 83 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3fex s PHE 85 N -2.48 3.00 -0.41 0.00 0.40 -0.86 0.20 117.98 117.83 3fex s PHE 85 Ca 0.14 0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.53 3fex s PHE 85 Cb 0.04 -1.69 0.13 0.00 0.51 0.00 0.00 43.02 42.01 3fex s PHE 85 CO -0.04 0.40 0.20 0.08 0.70 0.00 0.00 175.22 176.57 3fex s VAL 86 N -0.94 1.28 -0.32 -0.44 1.01 0.06 -1.90 120.40 119.15 3fex s VAL 86 Ca 0.15 -2.30 -0.29 0.00 0.00 0.00 0.00 61.98 59.55 3fex s VAL 86 Cb -0.11 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3fex s VAL 86 CO 0.05 -0.85 1.05 -0.70 0.00 0.00 0.00 175.10 174.66 3fex s GLU 87 N 0.64 4.06 0.59 2.72 2.12 -0.11 -1.86 118.70 126.86 3fex s GLU 87 Ca 0.16 1.04 -0.03 0.00 0.36 0.00 0.00 54.97 56.50 3fex s GLU 87 Cb -0.23 -3.73 0.12 0.00 0.26 0.00 0.00 34.13 30.55 3fex s GLU 87 CO -0.04 -0.88 0.80 0.66 -0.54 0.00 0.00 175.26 175.26 3fex n TYR 88 N 6.80 -3.27 -0.05 5.30 4.01 0.22 -0.81 117.16 129.35 3fex n TYR 88 Ca 0.11 -1.21 -0.04 0.00 -0.16 0.00 0.00 57.90 56.60 3fex n TYR 88 Cb 0.47 -0.60 -0.01 0.00 -0.31 0.00 0.00 39.34 38.89 3fex n TYR 88 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fex n TYR 89 N -2.69 0.37 -2.46 -0.72 4.01 -1.25 -4.68 117.16 109.74 3fex n TYR 89 Ca 0.12 0.16 -0.24 0.00 -0.16 0.00 0.00 57.90 57.79 3fex n TYR 89 Cb 0.44 -0.49 0.05 0.00 -0.31 0.00 0.00 39.34 39.02 3fex n TYR 89 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3fex s SER 90 N -5.11 5.19 0.08 7.72 1.04 -1.26 -4.91 113.70 116.44 3fex s SER 90 Ca -0.14 0.31 0.15 0.00 0.48 0.00 0.00 55.95 56.76 3fex s SER 90 Cb 0.02 -1.15 -0.13 0.00 0.10 0.00 0.00 66.02 64.86 3fex s SER 90 CO 0.20 -1.28 0.90 -0.09 0.98 0.00 0.00 173.24 173.96 3fex h ARG 91 N -0.21 0.00 -0.89 4.02 2.43 -1.94 -3.28 114.38 114.51 3fex h ARG 91 Ca -0.44 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.79 3fex h ARG 91 Cb 1.29 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.78 3fex h ARG 91 CO 0.57 0.38 0.57 0.00 -1.51 0.00 0.00 179.97 179.98 3fex h ALA 92 N 1.35 1.21 -0.41 2.80 0.00 -1.95 0.16 119.26 122.42 3fex h ALA 92 Ca -0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3fex h ALA 92 Cb 1.63 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3fex h ALA 92 CO 0.06 0.35 -0.10 -0.44 0.00 0.00 0.00 179.25 179.13 3fex h ASP 93 N 1.05 0.70 -0.20 0.00 3.32 -1.79 -2.66 116.42 116.84 3fex h ASP 93 Ca 0.38 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3fex h ASP 93 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3fex h ASP 93 CO -0.16 0.83 -0.24 0.00 -1.72 0.00 0.00 179.24 177.95 3fex h ALA 94 N 1.24 0.94 -0.49 3.45 0.00 -1.14 -2.89 119.26 120.37 3fex h ALA 94 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3fex h ALA 94 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3fex h ALA 94 CO 0.03 0.61 0.10 0.93 0.00 0.00 0.00 179.25 180.92 3fex h GLU 95 N 0.59 0.81 0.00 0.00 5.08 -0.57 -2.82 114.58 117.65 3fex h GLU 95 Ca 0.08 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3fex h GLU 95 Cb 0.72 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3fex h GLU 95 CO 0.06 0.80 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.84 3fex h ASN 96 N 0.68 0.00 1.60 1.42 2.35 -1.35 -0.26 115.58 120.02 3fex h ASN 96 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3fex h ASN 96 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3fex h ASN 96 CO 0.01 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 175.90 3fex h ALA 97 N 1.89 1.00 0.00 -0.83 0.00 -1.30 -2.10 119.26 117.92 3fex h ALA 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fex h ALA 97 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fex h ALA 97 CO 0.01 0.00 -0.89 -1.33 0.00 0.00 0.00 179.25 177.04 3fex n MET 98 N -2.83 0.46 -0.09 0.00 2.81 -0.15 -1.00 117.12 116.31 3fex n MET 98 Ca 0.04 0.09 -0.08 0.00 -1.81 0.00 0.00 57.70 55.93 3fex n MET 98 Cb 0.44 -1.75 -0.16 0.00 -0.71 0.00 0.00 33.22 31.05 3fex n MET 98 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3fex n ARG 99 N -2.39 0.79 0.03 0.03 1.74 -0.93 -4.51 116.66 111.43 3fex n ARG 99 Ca 0.01 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3fex n ARG 99 Cb 0.50 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3fex n ARG 99 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3fex n TYR 100 N -2.70 -0.23 0.39 -1.55 4.01 -0.80 -4.72 117.16 111.57 3fex n TYR 100 Ca -0.30 0.04 0.13 0.00 -0.16 0.00 0.00 57.90 57.61 3fex n TYR 100 Cb 1.10 0.10 0.51 0.00 -0.31 0.00 0.00 39.34 40.74 3fex n TYR 100 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3fex h ILE 101 N 0.00 0.00 -3.30 -0.72 2.04 -1.63 -3.40 117.51 110.50 3fex h ILE 101 Ca 0.00 -0.32 -0.57 0.00 1.00 0.00 0.00 64.86 64.97 3fex h ILE 101 Cb 0.42 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 3fex h ILE 101 CO 0.00 0.00 -0.00 0.21 0.00 0.00 0.00 178.15 178.36 3fex s ASN 102 N -4.59 7.04 0.00 1.72 2.47 -0.17 -3.92 114.94 117.50 3fex s ASN 102 Ca 0.04 1.24 0.00 0.00 0.42 0.00 0.00 52.86 54.56 3fex s ASN 102 Cb 0.09 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 3fex s ASN 102 CO 0.45 0.16 0.00 0.61 -3.72 0.00 0.00 177.10 174.60 3fex n GLY 103 N 2.16 1.49 3.94 1.21 0.00 -0.55 -4.78 105.19 108.67 3fex n GLY 103 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 3fex n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fex s THR 104 N -2.95 2.77 -0.07 2.61 -4.23 -1.25 -4.67 115.64 107.84 3fex s THR 104 Ca 0.00 -0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 60.11 3fex s THR 104 Cb 0.00 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 3fex s THR 104 CO 0.00 -0.12 0.18 -0.60 -0.54 0.00 0.00 174.62 173.54 3fex s ARG 105 N -5.02 3.47 -0.14 3.99 3.52 -1.26 -0.41 118.95 123.10 3fex s ARG 105 Ca 0.57 -0.16 -0.07 0.00 -0.13 0.00 0.00 55.73 55.94 3fex s ARG 105 Cb -0.11 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.18 3fex s ARG 105 CO 0.43 0.73 0.33 -1.17 -0.81 0.00 0.00 175.30 174.81 3fex s LEU 106 N -1.37 0.14 -1.46 -0.88 2.96 0.17 -4.86 118.68 113.39 3fex s LEU 106 Ca 0.20 0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 54.72 3fex s LEU 106 Cb -0.12 1.04 0.06 0.00 0.50 0.00 0.00 46.19 47.66 3fex s LEU 106 CO 0.10 -0.18 0.80 0.47 -1.32 0.00 0.00 176.35 176.22 3fex n ASP 107 N 4.28 -5.06 -1.82 3.68 8.00 -1.26 -1.42 116.55 122.95 3fex n ASP 107 Ca -0.24 -0.54 -0.16 0.00 0.71 0.00 0.00 54.79 54.56 3fex n ASP 107 Cb 0.54 -4.07 -0.01 0.00 -0.02 0.00 0.00 41.12 37.56 3fex n ASP 107 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fex n ASP 108 N -2.65 -4.81 -3.94 -2.24 8.00 -1.26 -4.86 116.55 104.79 3fex n ASP 108 Ca -0.01 -0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 3fex n ASP 108 Cb 0.55 -3.92 -0.12 0.00 -0.02 0.00 0.00 41.12 37.62 3fex n ASP 108 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fex s ARG 109 N -4.76 0.20 -0.19 -1.24 0.52 -0.51 -5.10 118.95 107.88 3fex s ARG 109 Ca 0.00 -0.40 -0.26 0.00 -0.52 0.00 0.00 55.73 54.55 3fex s ARG 109 Cb 0.00 0.07 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 3fex s ARG 109 CO 0.00 -0.03 0.88 0.42 0.02 0.00 0.00 175.30 176.59 3fex s ILE 110 N -0.96 4.83 0.10 1.52 1.01 -1.26 0.42 121.20 126.85 3fex s ILE 110 Ca -0.11 1.71 -0.31 0.00 0.00 0.00 0.00 60.65 61.95 3fex s ILE 110 Cb -0.07 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 3fex s ILE 110 CO -0.01 -0.04 1.24 -0.63 0.00 0.00 0.00 174.94 175.51 3fex s ILE 111 N 2.50 3.78 -0.30 2.92 1.01 0.45 -4.78 121.20 126.78 3fex s ILE 111 Ca 0.39 1.31 0.02 0.00 0.00 0.00 0.00 60.65 62.37 3fex s ILE 111 Cb -0.16 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.54 3fex s ILE 111 CO 0.10 0.12 -0.03 -0.13 0.00 0.00 0.00 174.94 175.00 3fex s ARG 112 N 0.84 2.10 -0.11 2.79 1.81 -0.85 -1.48 118.95 124.06 3fex s ARG 112 Ca 0.59 -1.48 0.01 0.00 -1.72 0.00 0.00 55.73 53.13 3fex s ARG 112 Cb -0.32 -3.07 -0.02 0.00 -0.45 0.00 0.00 34.95 31.09 3fex s ARG 112 CO 0.31 -0.69 -0.13 0.95 -0.68 0.00 0.00 175.30 175.05 3fex s THR 113 N 1.09 3.07 0.19 0.02 -4.23 -1.26 0.52 115.64 115.05 3fex s THR 113 Ca -0.03 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.89 3fex s THR 113 Cb -0.20 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 3fex s THR 113 CO -0.05 0.54 -0.16 -1.81 -0.54 0.00 0.00 174.62 172.61 3fex s ASP 114 N 0.07 2.64 0.34 3.99 1.11 -0.58 -4.96 116.67 119.28 3fex s ASP 114 Ca -0.05 -0.97 -0.28 0.00 0.18 0.00 0.00 52.55 51.43 3fex s ASP 114 Cb -0.15 -0.15 -0.10 0.00 1.07 0.00 0.00 42.92 43.60 3fex s ASP 114 CO 0.04 -0.12 1.27 0.26 1.18 0.00 0.00 175.17 177.81 3fex s TRP 115 N -2.64 3.08 0.25 4.23 0.52 -1.26 -1.09 118.94 122.03 3fex s TRP 115 Ca 0.20 1.46 0.10 0.00 0.02 0.00 0.00 56.10 57.88 3fex s TRP 115 Cb -0.03 -3.61 -0.05 0.00 -1.15 0.00 0.00 33.47 28.63 3fex s TRP 115 CO 0.07 -1.70 -0.18 0.34 0.02 0.00 0.00 176.95 175.50 3fex s ASP 116 N -0.60 3.21 -0.98 2.95 3.68 -1.08 -4.76 116.67 119.09 3fex s ASP 116 Ca 0.50 -1.02 -0.00 0.00 2.13 0.00 0.00 52.55 54.15 3fex s ASP 116 Cb -0.38 -0.24 0.32 0.00 -1.45 0.00 0.00 42.92 41.17 3fex s ASP 116 CO 0.50 -0.04 1.71 0.00 0.13 0.00 0.00 175.17 177.48 3fex n ALA 117 N -0.52 5.89 -0.95 3.66 0.00 -1.26 -4.68 120.51 122.65 3fex n ALA 117 Ca -0.06 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.75 3fex n ALA 117 Cb 0.60 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3fex n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91