#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nsw n ILE 2 N 0.00 0.77 -0.02 5.18 -5.35 -1.26 -4.48 119.36 114.19 2nsw n ILE 2 Ca 0.00 -0.36 0.21 0.00 -0.27 0.00 0.00 62.75 62.34 2nsw n ILE 2 Cb 0.00 -0.89 0.70 0.00 -1.74 0.00 0.00 39.64 37.71 2nsw n ILE 2 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2nsw h GLU 3 N 0.00 0.00 0.00 6.28 4.11 -1.96 1.40 114.58 124.41 2nsw h GLU 3 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2nsw h GLU 3 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2nsw h GLU 3 CO -0.02 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.81 2nsw n ASP 4 N -4.35 0.73 -0.17 3.06 9.92 -1.26 -2.50 116.55 121.98 2nsw n ASP 4 Ca 0.11 0.63 0.08 0.00 -0.53 0.00 0.00 54.79 55.08 2nsw n ASP 4 Cb 0.65 -0.80 0.13 0.00 -0.64 0.00 0.00 41.12 40.46 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 -2.25 0.12 -2.60 1.24 3.72 0.46 -5.02 117.46 113.14 2nsw n PHE 5 Ca 0.04 -0.89 -0.42 0.00 -0.05 0.00 0.00 57.45 56.12 2nsw n PHE 5 Cb 0.32 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2nsw n PHE 5 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2nsw s TYR 6 N -2.53 3.42 -0.84 1.38 5.04 0.02 -3.66 117.35 120.18 2nsw s TYR 6 Ca 0.28 1.46 -0.04 0.00 -2.44 0.00 0.00 57.07 56.33 2nsw s TYR 6 Cb 0.24 -3.27 0.21 0.00 0.35 0.00 0.00 41.96 39.49 2nsw s TYR 6 CO 0.04 -0.63 0.72 0.95 -1.34 0.00 0.00 175.55 175.28 2nsw s THR 7 N 1.89 4.46 -1.56 4.34 -4.23 0.31 -4.85 115.64 116.00 2nsw s THR 7 Ca 0.52 -3.45 0.16 0.00 -1.18 0.00 0.00 61.69 57.74 2nsw s THR 7 Cb -0.21 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.16 2nsw s THR 7 CO 0.21 -1.03 1.43 -0.24 -0.54 0.00 0.00 174.62 174.45 2nsw n SER 8 N 2.83 0.00 -0.04 3.99 2.88 -1.26 -0.11 113.62 121.92 2nsw n SER 8 Ca 0.17 -0.07 -0.13 0.00 -1.33 0.00 0.00 58.87 57.51 2nsw n SER 8 Cb 0.38 -0.22 -0.11 0.00 -0.75 0.00 0.00 64.21 63.51 2nsw n SER 8 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2nsw h GLU 9 N 0.00 -0.01 0.00 -1.46 4.22 -1.90 -3.36 114.58 112.07 2nsw h GLU 9 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.25 2nsw h GLU 9 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2nsw h GLU 9 CO 0.00 0.71 -1.89 -2.37 -2.18 0.00 0.00 179.01 173.28 2nsw n THR 10 N -4.74 0.94 -1.94 0.32 5.66 -1.11 -4.93 114.28 108.48 2nsw n THR 10 Ca -0.09 -0.70 -0.41 0.00 -3.05 0.00 0.00 64.05 59.80 2nsw n THR 10 Cb 0.36 -0.45 -0.02 0.00 -1.55 0.00 0.00 70.33 68.67 2nsw n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2nsw n PRO 12 N 1.87 0.27 -4.64 0.00 -0.04 -1.26 -4.73 135.00 126.48 2nsw n PRO 12 Ca 0.06 0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 2nsw n PRO 12 Cb 0.40 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 2nsw n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2nsw s TYR 13 N -2.64 2.40 -0.15 0.54 2.02 -1.26 -5.03 117.35 113.23 2nsw s TYR 13 Ca 0.20 -0.35 0.22 0.00 -0.37 0.00 0.00 57.07 56.76 2nsw s TYR 13 Cb 0.15 -1.36 0.47 0.00 -0.40 0.00 0.00 41.96 40.81 2nsw s TYR 13 CO 0.35 0.24 1.15 0.36 -1.57 0.00 0.00 175.55 176.09 2nsw n LYS 14 N 1.38 1.18 -3.13 -0.62 -0.00 -1.26 -4.68 118.16 111.02 2nsw n LYS 14 Ca -0.17 -2.94 -0.25 0.00 -0.00 0.00 0.00 58.31 54.96 2nsw n LYS 14 Cb 0.52 -1.01 -0.05 0.00 -0.00 0.00 0.00 35.03 34.49 2nsw n LYS 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2nsw n ASN 15 N -0.21 3.05 0.00 -5.58 3.02 -1.26 -5.05 115.26 109.24 2nsw n ASN 15 Ca 0.11 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 2nsw n ASN 15 Cb 0.95 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2nsw n ASN 15 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2nsw n ASP 16 N 0.31 -0.33 0.10 6.41 2.03 -1.26 -4.34 116.55 119.46 2nsw n ASP 16 Ca 0.28 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.55 2nsw n ASP 16 Cb 0.47 0.70 0.10 0.00 -0.72 0.00 0.00 41.12 41.67 2nsw n ASP 16 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2nsw h SER 17 N 0.00 0.18 0.32 1.67 4.64 -1.95 -2.70 113.55 115.71 2nsw h SER 17 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2nsw h SER 17 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2nsw h SER 17 CO 0.00 0.80 0.00 1.56 -0.87 0.00 0.00 176.83 178.32 2nsw h GLN 18 N 0.10 0.00 0.31 4.77 4.20 -1.96 0.20 115.11 122.73 2nsw h GLN 18 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2nsw h GLN 18 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2nsw h GLN 18 CO 0.10 0.00 -0.15 1.25 -0.67 0.00 0.00 178.83 179.36 2nsw h LEU 19 N 0.00 -0.35 -1.53 1.46 5.85 -1.67 0.83 115.31 119.89 2nsw h LEU 19 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2nsw h LEU 19 Cb 0.16 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2nsw h LEU 19 CO 0.00 0.10 -0.23 0.00 -0.34 0.00 0.00 178.44 177.97 2nsw h ALA 20 N -1.07 1.28 0.12 1.25 0.00 -1.57 -1.80 119.26 117.46 2nsw h ALA 20 Ca -0.04 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 2nsw h ALA 20 Cb 0.34 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.12 2nsw h ALA 20 CO 0.07 0.28 -1.04 2.35 0.00 0.00 0.00 179.25 180.91 2nsw h TRP 21 N 0.00 0.82 0.00 0.00 2.91 -0.65 0.11 115.95 119.14 2nsw h TRP 21 Ca -0.00 -0.53 0.00 0.00 1.13 0.00 0.00 58.89 59.49 2nsw h TRP 21 Cb 0.52 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 2nsw h TRP 21 CO 0.00 1.38 0.00 -3.47 -1.03 0.00 0.00 178.44 175.32 2nsw n ASP 22 N -3.95 0.41 -0.09 2.65 -0.08 0.29 0.14 116.55 115.92 2nsw n ASP 22 Ca -0.13 0.65 -0.09 0.00 -1.51 0.00 0.00 54.79 53.71 2nsw n ASP 22 Cb 0.90 -0.72 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 2nsw n ASP 22 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2nsw n THR 23 N -2.01 1.49 0.14 5.18 -1.04 -0.73 -3.91 114.28 113.41 2nsw n THR 23 Ca 0.01 0.15 -0.13 0.00 -2.04 0.00 0.00 64.05 62.03 2nsw n THR 23 Cb 0.11 -2.35 -0.08 0.00 -1.82 0.00 0.00 70.33 66.19 2nsw n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nsw n SER 25 N -5.12 7.26 0.00 0.00 3.41 0.36 -3.51 113.62 116.03 2nsw n SER 25 Ca -0.09 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 2nsw n SER 25 Cb 0.25 -1.23 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 0.74 5.60 0.07 5.00 0.00 -0.99 -4.49 105.19 111.12 2nsw n GLY 26 Ca 0.54 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 1.36 -1.19 0.00 -0.02 0.00 -1.26 -3.02 105.19 101.06 2nsw n GLY 27 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.58 0.00 0.00 2.61 -2.24 -1.26 -4.16 114.28 106.64 2nsw n THR 28 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2nsw n THR 28 Cb 0.68 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.29 1.39 2.60 3.38 0.00 -1.26 -4.13 105.19 108.46 2nsw n GLY 29 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 6.95 1.31 -4.85 1.61 0.23 -1.23 -4.91 115.26 114.37 2nsw n ASN 30 Ca 0.00 -2.82 -0.32 0.00 -0.53 0.00 0.00 54.58 50.91 2nsw n ASN 30 Cb 0.00 -0.65 -0.06 0.00 -2.08 0.00 0.00 39.78 36.99 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 -0.42 -0.94 0.12 0.00 0.00 -1.26 -4.95 105.19 97.74 2nsw n GLY 32 Ca 0.04 -1.28 0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.85 0.00 0.00 2.61 -1.04 -1.26 -3.57 114.28 110.17 2nsw n THR 33 Ca 0.00 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.77 2nsw n THR 33 Cb 0.00 -0.06 -0.09 0.00 -1.82 0.00 0.00 70.33 68.36 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 0.57 1.31 0.00 12.58 2.07 -1.96 -2.73 116.25 128.09 2nsw h VAL 34 Ca 0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2nsw h VAL 34 Cb 0.38 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2nsw h VAL 34 CO 0.00 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.23 2nsw n GLY 37 N -1.34 6.22 0.97 0.00 0.00 -0.87 -2.81 105.19 107.36 2nsw n GLY 37 Ca -0.03 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.73 0.00 -0.01 1.61 -0.06 -1.02 -4.84 117.38 112.33 2nsw n GLN 38 Ca 0.48 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.50 2nsw n GLN 38 Cb 0.84 -0.51 -0.06 0.00 -4.06 0.00 0.00 30.24 26.45 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2nsw n PHE 40 N -1.94 -0.18 -3.71 0.00 3.01 -1.21 0.11 117.46 113.54 2nsw n PHE 40 Ca -0.05 -1.44 -0.11 0.00 1.01 0.00 0.00 57.45 56.86 2nsw n PHE 40 Cb 0.38 0.08 -0.06 0.00 -0.01 0.00 0.00 39.48 39.86 2nsw n PHE 40 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2nsw s SER 41 N -2.29 -0.16 0.78 4.37 1.04 -1.12 -3.43 113.70 112.89 2nsw s SER 41 Ca 0.16 -0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.20 2nsw s SER 41 Cb 0.01 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2nsw s SER 41 CO 0.11 -0.71 0.79 0.33 0.98 0.00 0.00 173.24 174.74 2nsw n PHE 42 N 0.23 -0.00 1.50 5.02 7.35 -1.26 -0.06 117.46 130.24 2nsw n PHE 42 Ca -0.17 0.36 0.02 0.00 -0.76 0.00 0.00 57.45 56.90 2nsw n PHE 42 Cb 0.61 -1.99 0.12 0.00 0.35 0.00 0.00 39.48 38.58 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 -1.81 0.75 -0.05 -7.13 -0.04 -1.26 -4.65 135.00 120.81 2nsw n PRO 43 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2nsw n PRO 43 Cb 0.50 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.10 0.52 2.07 -0.84 -2.66 116.25 116.52 2nsw h VAL 44 Ca 0.00 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 65.83 2nsw h VAL 44 Cb 0.00 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2nsw h VAL 44 CO 0.00 0.55 0.46 -1.28 0.02 0.00 0.00 177.57 177.33 2nsw h SER 45 N 0.59 0.00 0.96 0.57 0.87 -1.35 1.38 113.55 116.58 2nsw h SER 45 Ca 0.02 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.36 2nsw h SER 45 Cb 1.10 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 2nsw h SER 45 CO 0.11 0.00 -1.05 -0.61 -0.53 0.00 0.00 176.83 174.75 2nsw h GLN 46 N 0.00 0.00 -0.00 2.24 4.15 -1.77 -3.21 115.11 116.51 2nsw h GLN 46 Ca 0.05 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.24 2nsw h GLN 46 Cb 0.97 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 2nsw h GLN 46 CO -0.00 0.96 -0.95 1.03 -1.93 0.00 0.00 178.83 177.94 2nsw h SER 47 N 0.00 0.58 0.46 -0.69 0.87 0.17 -2.00 113.55 112.94 2nsw h SER 47 Ca -0.03 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 2nsw h SER 47 Cb 1.79 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.55 2nsw h SER 47 CO 0.13 1.26 -0.46 0.00 -0.53 0.00 0.00 176.83 177.22 2nsw n ALA 49 N -2.77 1.40 -0.07 0.00 0.00 -1.21 -1.55 120.51 116.30 2nsw n ALA 49 Ca -0.11 0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 2nsw n ALA 49 Cb 0.42 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 2nsw n ALA 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2nsw h GLY 50 N 1.38 0.00 -1.84 0.00 0.00 0.04 -3.33 103.07 99.32 2nsw h GLY 50 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2nsw h GLY 50 CO 0.00 0.00 0.01 -0.13 0.00 0.00 0.00 176.54 176.42 2nsw n MET 51 N -4.62 2.21 -0.90 4.80 1.56 0.55 -4.25 117.12 116.47 2nsw n MET 51 Ca -0.11 -1.00 -0.16 0.00 -0.27 0.00 0.00 57.70 56.16 2nsw n MET 51 Cb 0.36 -1.73 0.03 0.00 2.15 0.00 0.00 33.22 34.03 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 0.19 5.13 -1.01 -5.12 0.00 -0.60 -2.35 120.51 116.76 2nsw n ALA 52 Ca 0.09 -1.64 0.12 0.00 0.00 0.00 0.00 53.44 52.01 2nsw n ALA 52 Cb 0.56 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 2nsw n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2nsw n ASP 53 N 0.45 -5.42 0.00 0.00 -0.08 -1.17 -4.78 116.55 105.56 2nsw n ASP 53 Ca 0.29 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 54.08 2nsw n ASP 53 Cb 0.57 -3.23 0.00 0.00 2.34 0.00 0.00 41.12 40.80 2nsw n ASP 53 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2nsw n SER 54 N -4.30 0.00 -0.04 1.67 7.64 -1.26 -4.88 113.62 112.45 2nsw n SER 54 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.90 2nsw n SER 54 Cb 0.61 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.42 0.48 0.00 6.43 2.85 -1.26 -4.42 115.26 118.91 2nsw n ASN 55 Ca 0.00 -0.74 0.11 0.00 -0.11 0.00 0.00 54.58 53.83 2nsw n ASN 55 Cb 0.00 0.84 0.52 0.00 1.24 0.00 0.00 39.78 42.37 2nsw n ASN 55 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2nsw n ASP 56 N -0.89 0.00 -4.80 1.20 9.92 -1.26 -4.71 116.55 116.00 2nsw n ASP 56 Ca 0.02 0.17 -0.30 0.00 -0.53 0.00 0.00 54.79 54.15 2nsw n ASP 56 Cb 0.10 -0.37 0.10 0.00 -0.64 0.00 0.00 41.12 40.31 2nsw n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nsw n PRO 58 N -3.49 2.27 -2.16 0.00 -0.04 -1.26 -4.89 135.00 125.43 2nsw n PRO 58 Ca 0.07 -1.36 -0.29 0.00 -0.04 0.00 0.00 63.50 61.88 2nsw n PRO 58 Cb 0.57 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.63 5.91 0.00 3.54 -0.87 -1.26 -5.05 114.94 119.84 2nsw s ASN 59 Ca 0.52 1.09 0.00 0.00 -1.57 0.00 0.00 52.86 52.89 2nsw s ASN 59 Cb 0.18 -2.12 0.00 0.00 -0.02 0.00 0.00 41.25 39.28 2nsw s ASN 59 CO -0.03 -0.96 0.00 0.00 -2.57 0.00 0.00 177.10 173.54