#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwr s ALA 72 N 0.00 3.22 0.33 0.62 0.00 -1.26 -5.08 121.76 119.59 3jwr s ALA 72 Ca 0.00 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.73 3jwr s ALA 72 Cb 0.00 -2.24 -0.07 0.00 0.00 0.00 0.00 23.12 20.81 3jwr s ALA 72 CO 0.00 -0.73 0.01 -0.06 0.00 0.00 0.00 175.76 174.98 3jwr s PHE 73 N 1.61 2.09 0.26 0.00 0.08 -1.26 -5.11 117.98 115.65 3jwr s PHE 73 Ca 0.05 -0.81 -0.30 0.00 0.12 0.00 0.00 56.93 55.99 3jwr s PHE 73 Cb -0.16 -1.35 -0.14 0.00 -0.57 0.00 0.00 43.02 40.80 3jwr s PHE 73 CO 0.05 0.19 1.25 -1.71 -0.10 0.00 0.00 175.22 174.90 3jwr n ASN 74 N -0.72 2.17 0.30 1.36 4.05 -1.26 -4.88 115.26 116.28 3jwr n ASN 74 Ca -0.04 1.16 0.18 0.00 0.45 0.00 0.00 54.58 56.33 3jwr n ASN 74 Cb 0.66 -1.37 0.91 0.00 1.23 0.00 0.00 39.78 41.21 3jwr n ASN 74 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 177.26 175.33 3jwr h HIS 75 N 3.19 0.00 -0.19 1.20 2.07 -2.01 -2.19 115.15 117.22 3jwr h HIS 75 Ca -0.44 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 56.90 3jwr h HIS 75 Cb 1.30 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.29 3jwr h HIS 75 CO 0.53 0.04 -0.60 -0.07 -3.07 0.00 0.00 177.93 174.76 3jwr h LEU 76 N 0.00 0.85 -1.14 6.12 3.38 -2.06 -3.18 115.31 119.28 3jwr h LEU 76 Ca -0.00 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.42 3jwr h LEU 76 Cb 0.23 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3jwr h LEU 76 CO 0.01 1.30 0.59 -0.33 0.09 0.00 0.00 178.44 180.09 3jwr h GLU 77 N 0.46 1.05 -0.99 1.13 5.08 -1.77 -3.36 114.58 116.18 3jwr h GLU 77 Ca -0.02 -0.06 0.35 0.00 -1.00 0.00 0.00 59.36 58.62 3jwr h GLU 77 Cb 1.22 -0.24 -0.16 0.00 0.50 0.00 0.00 28.75 30.07 3jwr h GLU 77 CO 0.13 0.70 0.47 -0.07 -1.00 0.00 0.00 179.01 179.23 3jwr h LEU 78 N 1.08 0.29 0.23 1.33 3.38 -1.51 -2.11 115.31 118.01 3jwr h LEU 78 Ca 0.37 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.56 3jwr h LEU 78 Cb 0.09 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3jwr h LEU 78 CO -0.12 -0.28 -0.11 -0.74 0.09 0.00 0.00 178.44 177.28 3jwr h HIS 79 N 0.15 -0.29 -0.62 1.13 2.76 -1.81 -2.16 115.15 114.32 3jwr h HIS 79 Ca 0.75 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.99 3jwr h HIS 79 Cb 1.80 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 30.79 3jwr h HIS 79 CO -0.08 -0.00 0.29 1.49 -1.30 0.00 0.00 177.93 178.32 3jwr h GLU 80 N -0.56 0.50 -0.59 5.26 4.81 -1.67 -1.32 114.58 121.01 3jwr h GLU 80 Ca -0.03 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3jwr h GLU 80 Cb 0.41 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3jwr h GLU 80 CO 0.05 0.33 0.21 -0.07 -0.73 0.00 0.00 179.01 178.81 3jwr h LEU 81 N 0.52 0.20 -0.09 1.64 3.38 -1.40 -2.90 115.31 116.65 3jwr h LEU 81 Ca 0.30 0.08 -0.24 0.00 0.09 0.00 0.00 57.88 58.10 3jwr h LEU 81 Cb 0.29 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jwr h LEU 81 CO -0.24 0.13 -1.03 0.00 0.09 0.00 0.00 178.44 177.38 3jwr h ALA 82 N 1.41 0.29 0.00 1.53 0.00 -0.85 -3.06 119.26 118.59 3jwr h ALA 82 Ca 0.30 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3jwr h ALA 82 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3jwr h ALA 82 CO -0.30 0.87 0.00 -0.56 0.00 0.00 0.00 179.25 179.25 3jwr h GLN 83 N 0.17 0.00 -6.45 0.00 3.07 -1.07 -3.39 115.11 107.45 3jwr h GLN 83 Ca -0.10 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 58.19 3jwr h GLN 83 Cb 1.69 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.27 3jwr h GLN 83 CO 0.17 0.00 -0.26 0.71 0.09 0.00 0.00 178.83 179.55 3jwr s TYR 84 N -3.62 3.21 -2.00 0.06 2.02 -1.12 -4.99 117.35 110.90 3jwr s TYR 84 Ca 0.02 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 3jwr s TYR 84 Cb 0.09 -2.05 0.04 0.00 -0.40 0.00 0.00 41.96 39.64 3jwr s TYR 84 CO 0.53 -0.08 0.50 0.41 -1.57 0.00 0.00 175.55 175.34 3jwr n GLY 85 N -1.77 -0.46 3.88 0.71 0.00 -1.26 -4.85 105.19 101.43 3jwr n GLY 85 Ca -0.01 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3jwr n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jwr s ILE 86 N -2.00 3.53 0.00 -0.61 1.01 -1.16 -5.05 121.20 116.92 3jwr s ILE 86 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.16 3jwr s ILE 86 Cb 0.01 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3jwr s ILE 86 CO 0.01 -0.65 0.00 2.30 0.00 0.00 0.00 174.94 176.60