#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsw h ILE 2 N 0.00 1.30 -0.42 5.18 3.07 -2.00 -3.24 117.51 121.40 2nsw h ILE 2 Ca 0.00 -2.62 0.12 0.00 1.55 0.00 0.00 64.86 63.91 2nsw h ILE 2 Cb 0.00 3.05 -0.02 0.00 -0.27 0.00 0.00 36.82 39.58 2nsw h ILE 2 CO 0.00 0.78 0.39 -0.08 -1.05 0.00 0.00 178.15 178.20 2nsw h GLU 3 N -0.03 0.00 0.00 0.16 4.22 -1.96 1.56 114.58 118.52 2nsw h GLU 3 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.20 2nsw h GLU 3 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2nsw h GLU 3 CO 0.22 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 176.80 2nsw n ASP 4 N -3.93 0.02 -0.06 1.04 9.92 -1.22 -2.37 116.55 119.96 2nsw n ASP 4 Ca 0.07 0.50 0.04 0.00 -0.53 0.00 0.00 54.79 54.88 2nsw n ASP 4 Cb 0.58 -0.51 0.06 0.00 -0.64 0.00 0.00 41.12 40.61 2nsw n ASP 4 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2nsw n PHE 5 N -1.52 0.00 -2.56 1.24 3.01 0.52 -5.02 117.46 113.13 2nsw n PHE 5 Ca 0.05 -0.66 -0.43 0.00 1.01 0.00 0.00 57.45 57.42 2nsw n PHE 5 Cb 0.25 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 2nsw n PHE 5 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2nsw s TYR 6 N -1.70 3.21 -0.68 1.38 5.04 -0.57 -3.54 117.35 120.49 2nsw s TYR 6 Ca 0.14 1.32 -0.07 0.00 -2.44 0.00 0.00 57.07 56.01 2nsw s TYR 6 Cb 0.12 -3.35 0.18 0.00 0.35 0.00 0.00 41.96 39.26 2nsw s TYR 6 CO 0.01 -0.94 0.54 0.95 -1.34 0.00 0.00 175.55 174.77 2nsw s THR 7 N 2.83 4.38 -1.69 4.34 -4.23 0.22 -4.87 115.64 116.62 2nsw s THR 7 Ca 0.50 -2.69 0.20 0.00 -1.18 0.00 0.00 61.69 58.52 2nsw s THR 7 Cb -0.20 -3.80 0.45 0.00 1.34 0.00 0.00 72.50 70.30 2nsw s THR 7 CO 0.14 -0.92 1.60 -1.20 -0.54 0.00 0.00 174.62 173.71 2nsw n SER 8 N 3.77 0.00 -0.03 3.99 7.64 -1.26 -0.51 113.62 127.23 2nsw n SER 8 Ca 0.08 -0.29 -0.15 0.00 1.01 0.00 0.00 58.87 59.52 2nsw n SER 8 Cb 0.41 -0.15 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 2nsw n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2nsw h GLU 9 N 0.00 0.16 0.00 1.43 4.81 -1.92 -3.36 114.58 115.70 2nsw h GLU 9 Ca 0.00 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.87 2nsw h GLU 9 Cb 0.10 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2nsw h GLU 9 CO 0.00 0.94 -1.94 -2.37 -0.73 0.00 0.00 179.01 174.90 2nsw n THR 10 N -4.50 0.88 -1.97 0.32 5.66 -1.14 -4.93 114.28 108.60 2nsw n THR 10 Ca -0.10 -0.69 -0.41 0.00 -3.05 0.00 0.00 64.05 59.80 2nsw n THR 10 Cb 0.51 -0.40 -0.02 0.00 -1.55 0.00 0.00 70.33 68.87 2nsw n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2nsw h PRO 12 N 4.30 0.00 -5.96 0.00 0.13 -1.88 -3.45 132.00 125.14 2nsw h PRO 12 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 2nsw h PRO 12 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2nsw h PRO 12 CO 0.73 0.30 -0.32 0.71 -0.23 0.00 0.00 178.00 179.19 2nsw s TYR 13 N -3.38 1.80 0.00 1.56 2.02 -1.26 -5.14 117.35 112.95 2nsw s TYR 13 Ca 0.02 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 2nsw s TYR 13 Cb 0.09 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 2nsw s TYR 13 CO 0.68 -0.40 0.00 0.36 -1.57 0.00 0.00 175.55 174.61 2nsw n LYS 14 N -1.71 0.00 0.00 -0.62 0.00 -1.26 -4.79 118.16 109.78 2nsw n LYS 14 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2nsw n LYS 14 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.67 2nsw n LYS 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2nsw n ASN 15 N 0.00 0.00 -3.78 -5.58 5.15 -1.26 -4.66 115.26 105.13 2nsw n ASN 15 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 2nsw n ASN 15 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 2nsw n ASN 15 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2nsw s ASP 16 N 0.00 -0.07 0.20 1.20 1.11 -1.26 -5.04 116.67 112.81 2nsw s ASP 16 Ca 0.00 -0.32 0.07 0.00 0.18 0.00 0.00 52.55 52.49 2nsw s ASP 16 Cb 0.00 0.36 0.09 0.00 1.07 0.00 0.00 42.92 44.43 2nsw s ASP 16 CO 0.00 -0.65 1.45 -1.28 1.18 0.00 0.00 175.17 175.87 2nsw h SER 17 N 3.08 0.07 0.39 0.27 0.87 -1.94 -2.89 113.55 113.40 2nsw h SER 17 Ca -0.32 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2nsw h SER 17 Cb 1.20 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2nsw h SER 17 CO 0.48 0.84 0.00 -0.61 -0.53 0.00 0.00 176.83 177.01 2nsw h GLN 18 N 0.03 0.00 0.14 2.24 4.15 -1.96 -0.47 115.11 119.25 2nsw h GLN 18 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2nsw h GLN 18 Cb 1.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2nsw h GLN 18 CO 0.11 0.00 -0.07 1.25 -1.93 0.00 0.00 178.83 178.19 2nsw h LEU 19 N 0.00 -0.16 -2.48 -2.39 5.85 -1.82 0.33 115.31 114.64 2nsw h LEU 19 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2nsw h LEU 19 Cb 0.20 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2nsw h LEU 19 CO 0.00 0.02 0.05 0.00 -0.34 0.00 0.00 178.44 178.16 2nsw h ALA 20 N -1.64 1.52 0.00 1.25 0.00 -1.63 0.48 119.26 119.23 2nsw h ALA 20 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2nsw h ALA 20 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2nsw h ALA 20 CO 0.03 -0.06 -0.00 2.35 0.00 0.00 0.00 179.25 181.57 2nsw h TRP 21 N 0.00 -0.00 0.00 0.00 2.91 -1.11 -2.79 115.95 114.96 2nsw h TRP 21 Ca 0.02 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2nsw h TRP 21 Cb 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 2nsw h TRP 21 CO 0.00 0.76 0.00 -3.47 -1.03 0.00 0.00 178.44 174.70 2nsw n ASP 22 N -4.72 0.37 -0.03 2.65 -0.08 0.12 0.14 116.55 114.99 2nsw n ASP 22 Ca -0.09 0.64 -0.08 0.00 -1.51 0.00 0.00 54.79 53.75 2nsw n ASP 22 Cb 0.37 -0.70 -0.07 0.00 2.34 0.00 0.00 41.12 43.07 2nsw n ASP 22 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2nsw h THR 23 N 0.00 0.88 0.00 5.18 2.02 -0.79 -3.28 112.91 116.92 2nsw h THR 23 Ca 0.00 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 2nsw h THR 23 Cb 0.12 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2nsw h THR 23 CO 0.00 0.28 -0.34 0.00 0.37 0.00 0.00 175.52 175.83 2nsw n SER 25 N -4.66 4.80 0.00 0.00 3.41 0.36 -3.27 113.62 114.25 2nsw n SER 25 Ca -0.07 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 2nsw n SER 25 Cb 0.22 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 2nsw n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nsw n GLY 26 N 2.80 -0.18 1.08 5.00 0.00 -1.24 -4.49 105.19 108.15 2nsw n GLY 26 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2nsw n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nsw n GLY 27 N -0.07 2.83 0.00 -0.02 0.00 -1.20 -4.96 105.19 101.77 2nsw n GLY 27 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2nsw n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nsw n THR 28 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.19 114.28 109.20 2nsw n THR 28 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2nsw n THR 28 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2nsw n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nsw n GLY 29 N 2.29 0.64 1.68 3.38 0.00 -1.26 -3.59 105.19 108.34 2nsw n GLY 29 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 2nsw n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nsw n ASN 30 N 4.98 3.28 -4.60 1.61 0.23 -1.25 -5.01 115.26 114.50 2nsw n ASN 30 Ca 0.00 -3.72 -0.37 0.00 -0.53 0.00 0.00 54.58 49.95 2nsw n ASN 30 Cb 0.00 -0.73 0.06 0.00 -2.08 0.00 0.00 39.78 37.03 2nsw n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2nsw n GLY 32 N 1.32 -0.99 0.10 0.00 0.00 -1.26 -4.92 105.19 99.44 2nsw n GLY 32 Ca 0.14 -1.37 0.14 0.00 0.00 0.00 0.00 46.02 44.93 2nsw n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nsw n THR 33 N 8.48 0.00 0.08 2.61 -1.04 -1.26 -3.44 114.28 119.71 2nsw n THR 33 Ca 0.00 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.82 2nsw n THR 33 Cb 0.00 -0.05 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 2nsw n THR 33 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2nsw h VAL 34 N 0.47 1.38 0.00 12.58 2.07 -1.91 -3.14 116.25 127.70 2nsw h VAL 34 Ca 0.00 -3.02 -0.00 0.00 0.82 0.00 0.00 66.70 64.50 2nsw h VAL 34 Cb 0.41 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2nsw h VAL 34 CO 0.00 0.86 -0.02 0.00 0.02 0.00 0.00 177.57 178.43 2nsw n GLY 37 N -0.69 3.72 1.05 0.00 0.00 -1.20 -2.81 105.19 105.26 2nsw n GLY 37 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2nsw n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2nsw n GLN 38 N 1.59 0.00 -0.00 1.61 -0.06 -1.13 -4.86 117.38 114.53 2nsw n GLN 38 Ca 0.45 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.49 2nsw n GLN 38 Cb 0.71 -0.50 -0.05 0.00 -4.06 0.00 0.00 30.24 26.34 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2nsw s PHE 40 N -2.07 1.64 0.05 0.00 0.08 -1.12 0.72 117.98 117.28 2nsw s PHE 40 Ca 0.01 -1.34 -0.04 0.00 0.12 0.00 0.00 56.93 55.68 2nsw s PHE 40 Cb 0.06 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2nsw s PHE 40 CO 0.33 -0.47 0.05 -1.12 -0.10 0.00 0.00 175.22 173.91 2nsw s SER 41 N -3.40 0.31 0.76 1.36 0.01 -1.23 -3.59 113.70 107.92 2nsw s SER 41 Ca 0.34 -0.77 -0.15 0.00 1.31 0.00 0.00 55.95 56.68 2nsw s SER 41 Cb 0.05 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.52 2nsw s SER 41 CO 0.17 -0.59 0.77 0.33 0.41 0.00 0.00 173.24 174.34 2nsw n PHE 42 N 0.34 -0.04 1.50 2.43 7.35 -1.26 -0.06 117.46 127.72 2nsw n PHE 42 Ca -0.16 0.36 0.04 0.00 -0.76 0.00 0.00 57.45 56.93 2nsw n PHE 42 Cb 0.60 -1.99 0.22 0.00 0.35 0.00 0.00 39.48 38.67 2nsw n PHE 42 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2nsw n PRO 43 N -1.64 0.75 -0.06 -7.13 -0.04 -1.26 -4.64 135.00 120.98 2nsw n PRO 43 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 2nsw n PRO 43 Cb 0.50 -1.16 0.04 0.00 -0.04 0.00 0.00 33.50 32.84 2nsw n PRO 43 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2nsw h VAL 44 N 0.00 1.29 0.00 0.52 2.07 -0.88 -2.49 116.25 116.76 2nsw h VAL 44 Ca 0.00 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2nsw h VAL 44 Cb 0.00 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2nsw h VAL 44 CO 0.00 0.52 0.37 -1.28 0.02 0.00 0.00 177.57 177.20 2nsw h SER 45 N 0.60 0.00 0.67 0.57 0.87 -1.40 1.30 113.55 116.16 2nsw h SER 45 Ca 0.04 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.35 2nsw h SER 45 Cb 0.98 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2nsw h SER 45 CO 0.09 0.00 -1.46 -0.61 -0.53 0.00 0.00 176.83 174.32 2nsw h GLN 46 N 0.00 0.00 -0.29 2.24 5.75 -1.74 -3.32 115.11 117.75 2nsw h GLN 46 Ca 0.00 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 2nsw h GLN 46 Cb 0.73 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.28 2nsw h GLN 46 CO 0.00 0.60 -0.50 1.03 -2.65 0.00 0.00 178.83 177.31 2nsw h SER 47 N 0.00 0.90 0.02 -0.69 0.87 0.16 -0.94 113.55 113.87 2nsw h SER 47 Ca -0.19 -0.46 -0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2nsw h SER 47 Cb 1.89 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2nsw h SER 47 CO 0.09 1.24 -0.03 0.00 -0.53 0.00 0.00 176.83 177.60 2nsw h ALA 49 N -1.63 1.07 0.11 0.00 0.00 -1.66 0.41 119.26 117.57 2nsw h ALA 49 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2nsw h ALA 49 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2nsw h ALA 49 CO -0.01 -0.07 -0.05 0.78 0.00 0.00 0.00 179.25 179.89 2nsw h GLY 50 N 0.00 -0.16 1.26 0.00 0.00 0.49 -3.30 103.07 101.35 2nsw h GLY 50 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2nsw h GLY 50 CO 0.00 -0.06 0.00 -0.13 0.00 0.00 0.00 176.54 176.35 2nsw n MET 51 N -3.97 0.54 -1.09 4.80 1.56 0.53 -3.88 117.12 115.61 2nsw n MET 51 Ca -0.02 0.04 -0.15 0.00 -0.27 0.00 0.00 57.70 57.29 2nsw n MET 51 Cb 0.06 -1.50 -0.15 0.00 2.15 0.00 0.00 33.22 33.78 2nsw n MET 51 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2nsw n ALA 52 N -1.13 6.42 -0.97 -5.12 0.00 0.14 -4.38 120.51 115.46 2nsw n ALA 52 Ca 0.14 -2.08 0.12 0.00 0.00 0.00 0.00 53.44 51.63 2nsw n ALA 52 Cb 0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.22 2nsw n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2nsw n ASP 53 N 2.25 -5.36 0.00 0.00 8.00 -1.25 -4.72 116.55 115.47 2nsw n ASP 53 Ca 0.45 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.42 2nsw n ASP 53 Cb 0.84 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 2nsw n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2nsw n SER 54 N -4.32 0.00 -0.03 -2.24 7.64 -1.26 -4.81 113.62 108.60 2nsw n SER 54 Ca -0.01 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2nsw n SER 54 Cb 0.61 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2nsw n SER 54 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2nsw n ASN 55 N -2.02 0.43 0.09 6.43 2.85 -1.26 -4.55 115.26 117.23 2nsw n ASN 55 Ca 0.00 -0.72 -0.06 0.00 -0.11 0.00 0.00 54.58 53.69 2nsw n ASN 55 Cb 0.00 0.74 0.05 0.00 1.24 0.00 0.00 39.78 41.81 2nsw n ASN 55 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2nsw h ASP 56 N 0.17 0.21 -4.22 1.20 5.19 -1.94 -3.45 116.42 113.58 2nsw h ASP 56 Ca 0.00 -0.15 -0.53 0.00 -0.62 0.00 0.00 57.03 55.73 2nsw h ASP 56 Cb 0.09 -0.06 0.17 0.00 0.18 0.00 0.00 39.33 39.70 2nsw h ASP 56 CO 0.00 0.89 0.32 0.00 -3.12 0.00 0.00 179.24 177.34 2nsw n PRO 58 N -3.36 2.41 -2.00 0.00 -0.04 -1.26 -4.89 135.00 125.87 2nsw n PRO 58 Ca 0.12 -1.48 -0.28 0.00 -0.04 0.00 0.00 63.50 61.83 2nsw n PRO 58 Cb 0.51 -2.39 0.10 0.00 -0.04 0.00 0.00 33.50 31.68 2nsw n PRO 58 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2nsw s ASN 59 N 2.69 4.36 0.00 3.54 -0.87 -1.26 -5.08 114.94 118.32 2nsw s ASN 59 Ca 0.52 0.59 0.00 0.00 -1.57 0.00 0.00 52.86 52.40 2nsw s ASN 59 Cb 0.17 -1.05 0.00 0.00 -0.02 0.00 0.00 41.25 40.35 2nsw s ASN 59 CO -0.03 -1.96 0.00 0.00 -2.57 0.00 0.00 177.10 172.54