#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 1.16 -0.59 0.53 3.07 -2.00 -3.27 117.51 116.42 2nsw h ILE 2 Ca 0.00 -2.70 0.17 0.00 1.55 0.00 0.00 64.86 63.88 2nsw h ILE 2 Cb 0.00 2.88 -0.02 0.00 -0.27 0.00 0.00 36.82 39.41 2nsw h ILE 2 CO 0.00 0.84 0.43 1.05 -1.05 0.00 0.00 178.15 179.42 2nsw h GLU 3 N 0.11 0.00 0.00 0.16 -0.00 -1.96 1.56 114.58 114.45 2nsw h GLU 3 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.09 2nsw h GLU 3 Cb 2.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.85 2nsw h GLU 3 CO 0.21 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 178.97 2nsw n ASP 4 N -4.32 0.00 -0.12 3.06 8.00 -1.23 -2.32 116.55 119.61 2nsw n ASP 4 Ca 0.11 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.65 2nsw n ASP 4 Cb 0.67 -0.30 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 2nsw n ASP 4 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2nsw n PHE 5 N -1.30 0.00 -2.47 1.24 3.01 0.52 -5.01 117.46 113.45 2nsw n PHE 5 Ca 0.10 -0.52 -0.42 0.00 1.01 0.00 0.00 57.45 57.62 2nsw n PHE 5 Cb 0.18 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.37 2.46 -0.99 1.38 5.04 -0.40 -3.83 117.35 119.65 2nsw s TYR 6 Ca 0.12 0.50 -0.16 0.00 -2.44 0.00 0.00 57.07 55.09 2nsw s TYR 6 Cb 0.10 -4.43 0.17 0.00 0.35 0.00 0.00 41.96 38.15 2nsw s TYR 6 CO 0.01 -1.78 1.13 0.95 -1.34 0.00 0.00 175.55 174.52 2nsw s THR 7 N 5.45 5.04 -1.48 4.34 -4.23 0.96 -4.80 115.64 120.91 2nsw s THR 7 Ca 0.50 -2.10 0.16 0.00 -1.18 0.00 0.00 61.69 59.07 2nsw s THR 7 Cb -0.10 -4.74 0.30 0.00 1.34 0.00 0.00 72.50 69.30 2nsw s THR 7 CO 0.27 -1.43 1.47 -0.24 -0.54 0.00 0.00 174.62 174.15 2nsw n SER 8 N 5.62 0.00 -0.03 3.99 2.88 -1.26 -0.41 113.62 124.40 2nsw n SER 8 Ca 0.25 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.66 2nsw n SER 8 Cb 0.47 -0.26 -0.10 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.03 0.00 -1.46 4.22 -1.90 -3.35 114.58 112.12 2nsw h GLU 9 Ca 0.00 -0.02 -0.22 0.00 0.08 0.00 0.00 59.36 59.20 2nsw h GLU 9 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2nsw h GLU 9 CO 0.00 0.63 -1.99 -2.37 -2.18 0.00 0.00 179.01 173.10 2nsw n THR 10 N -4.77 1.01 -1.98 0.32 5.66 -1.12 -4.93 114.28 108.47 2nsw n THR 10 Ca -0.09 -0.72 -0.41 0.00 -3.05 0.00 0.00 64.05 59.78 2nsw n THR 10 Cb 0.32 -0.45 -0.02 0.00 -1.55 0.00 0.00 70.33 68.62 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 1.79 0.11 -4.52 0.00 -0.04 -1.26 -4.72 135.00 126.36 2nsw n PRO 12 Ca 0.05 0.11 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 2nsw n PRO 12 Cb 0.40 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.85 2.91 -0.05 0.54 2.02 -1.26 -5.00 117.35 113.65 2nsw s TYR 13 Ca 0.14 -0.01 0.20 0.00 -0.37 0.00 0.00 57.07 57.03 2nsw s TYR 13 Cb 0.15 -1.65 0.38 0.00 -0.40 0.00 0.00 41.96 40.43 2nsw s TYR 13 CO 0.38 0.36 1.16 0.36 -1.57 0.00 0.00 175.55 176.25 2nsw n LYS 14 N 1.80 0.41 -0.11 -0.62 0.00 -1.26 -4.68 118.16 113.69 2nsw n LYS 14 Ca -0.16 -2.21 -0.20 0.00 -0.00 0.00 0.00 58.31 55.73 2nsw n LYS 14 Cb 0.53 -0.48 -0.07 0.00 -0.00 0.00 0.00 35.03 35.01 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 1.90 -3.52 -5.58 5.15 -1.26 -5.07 115.26 106.88 2nsw n ASN 15 Ca 0.09 0.33 -0.14 0.00 -0.60 0.00 0.00 54.58 54.25 2nsw n ASN 15 Cb 0.98 -0.76 -0.05 0.00 -0.53 0.00 0.00 39.78 39.42 2nsw n ASN 15 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2nsw s ASP 16 N -6.76 -0.55 0.29 1.20 -1.08 -1.26 -5.03 116.67 103.49 2nsw s ASP 16 Ca -0.33 0.49 0.03 0.00 -0.52 0.00 0.00 52.55 52.21 2nsw s ASP 16 Cb 0.10 0.47 0.46 0.00 -1.46 0.00 0.00 42.92 42.48 2nsw s ASP 16 CO 0.45 -0.58 1.76 0.77 0.52 0.00 0.00 175.17 178.09 2nsw h SER 17 N 2.68 0.48 0.51 -0.34 4.64 -1.95 -1.78 113.55 117.79 2nsw h SER 17 Ca -0.25 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2nsw h SER 17 Cb 1.17 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2nsw h SER 17 CO 0.36 0.69 -0.06 -0.61 -0.87 0.00 0.00 176.83 176.34 2nsw h GLN 18 N 0.44 0.00 0.33 4.77 4.15 -1.97 0.05 115.11 122.89 2nsw h GLN 18 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 2nsw h GLN 18 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2nsw h GLN 18 CO 0.04 0.06 -0.16 1.25 -1.93 0.00 0.00 178.83 178.09 2nsw h LEU 19 N 0.00 -0.38 -1.67 -2.39 5.85 -1.73 0.47 115.31 115.47 2nsw h LEU 19 Ca -0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2nsw h LEU 19 Cb 0.33 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2nsw h LEU 19 CO 0.01 -0.04 0.32 0.00 -0.34 0.00 0.00 178.44 178.39 2nsw h ALA 20 N -1.33 1.93 -0.21 1.25 0.00 -1.43 0.12 119.26 119.58 2nsw h ALA 20 Ca -0.05 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2nsw h ALA 20 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2nsw h ALA 20 CO 0.07 -0.01 -0.62 2.35 0.00 0.00 0.00 179.25 181.05 2nsw h TRP 21 N 0.41 0.93 0.00 0.00 2.91 -1.01 -2.11 115.95 117.09 2nsw h TRP 21 Ca 0.21 -0.36 0.00 0.00 1.13 0.00 0.00 58.89 59.87 2nsw h TRP 21 Cb 0.30 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 2nsw h TRP 21 CO -0.00 1.15 0.00 -0.25 -1.03 0.00 0.00 178.44 178.31 2nsw n ASP 22 N -3.96 0.28 -0.05 2.65 9.92 0.17 -0.33 116.55 125.22 2nsw n ASP 22 Ca -0.05 0.60 -0.03 0.00 -0.53 0.00 0.00 54.79 54.78 2nsw n ASP 22 Cb 0.66 -0.64 -0.01 0.00 -0.64 0.00 0.00 41.12 40.48 2nsw n ASP 22 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2nsw h THR 23 N 0.00 0.00 0.00 -3.53 2.02 -0.67 -3.33 112.91 107.40 2nsw h THR 23 Ca 0.00 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2nsw h THR 23 Cb 0.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2nsw h THR 23 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2nsw n SER 25 N -1.76 6.23 0.00 0.00 3.41 0.55 -3.62 113.62 118.43 2nsw n SER 25 Ca 0.00 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 2nsw n SER 25 Cb 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 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 2.70 -0.40 0.00 5.00 0.00 -0.97 -4.45 105.19 107.08 2nsw n GLY 26 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.31 3.10 2.60 -0.02 0.00 -1.24 -4.97 105.19 104.96 2nsw n GLY 27 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.09 114.28 109.29 2nsw n THR 28 Ca 0.00 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 2nsw n THR 28 Cb 0.00 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.05 0.97 2.72 3.38 0.00 -1.26 -4.27 105.19 106.68 2nsw n GLY 29 Ca -0.05 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 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 1.89 5.71 -4.77 1.61 0.23 -1.25 -4.94 115.26 113.73 2nsw n ASN 30 Ca 0.00 -3.74 -0.36 0.00 -0.53 0.00 0.00 54.58 49.95 2nsw n ASN 30 Cb 0.00 -0.73 -0.01 0.00 -2.08 0.00 0.00 39.78 36.96 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 0.32 -2.10 0.13 0.00 0.00 -1.26 -4.96 105.19 97.32 2nsw n GLY 32 Ca 0.08 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 0.77 0.00 -0.02 2.61 -1.04 -1.26 -3.59 114.28 111.75 2nsw n THR 33 Ca 0.00 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.05 61.78 2nsw n THR 33 Cb 0.00 -0.09 -0.09 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 0.62 1.35 0.00 12.58 2.07 -1.93 -2.69 116.25 128.25 2nsw h VAL 34 Ca 0.00 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2nsw h VAL 34 Cb 0.34 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2nsw h VAL 34 CO 0.00 0.57 0.00 0.00 0.02 0.00 0.00 177.57 178.16 2nsw n GLY 37 N -1.33 6.12 1.03 0.00 0.00 -0.83 -2.99 105.19 107.19 2nsw n GLY 37 Ca -0.05 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.68 0.00 -0.01 1.61 7.27 -1.05 -4.85 117.38 119.67 2nsw n GLN 38 Ca 0.48 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.58 2nsw n GLN 38 Cb 0.76 -0.49 -0.07 0.00 2.41 0.00 0.00 30.24 32.85 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nsw n PHE 40 N -1.86 -0.33 -3.76 0.00 3.72 -1.23 -0.03 117.46 113.96 2nsw n PHE 40 Ca -0.03 -2.43 -0.11 0.00 -0.05 0.00 0.00 57.45 54.83 2nsw n PHE 40 Cb 0.29 0.14 -0.07 0.00 -0.94 0.00 0.00 39.48 38.90 2nsw n PHE 40 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2nsw s SER 41 N -3.15 -0.07 0.75 4.37 0.15 -1.16 -3.42 113.70 111.16 2nsw s SER 41 Ca 0.28 -0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 2nsw s SER 41 Cb 0.01 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2nsw s SER 41 CO 0.20 -0.68 0.74 0.33 1.20 0.00 0.00 173.24 175.03 2nsw n PHE 42 N 0.29 -0.13 1.49 3.44 7.35 -1.26 0.07 117.46 128.70 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 -1.98 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 -1.48 0.75 -0.08 -7.13 -0.04 -1.26 -4.65 135.00 121.11 2nsw n PRO 43 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2nsw n PRO 43 Cb 0.50 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.28 -0.43 0.52 2.07 -0.75 -2.69 116.25 116.25 2nsw h VAL 44 Ca 0.00 -1.67 0.12 0.00 0.82 0.00 0.00 66.70 65.97 2nsw h VAL 44 Cb 0.00 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2nsw h VAL 44 CO 0.00 0.55 0.49 -1.28 0.02 0.00 0.00 177.57 177.35 2nsw h SER 45 N 0.67 0.00 0.71 0.57 0.87 -1.37 1.04 113.55 116.04 2nsw h SER 45 Ca 0.03 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.43 2nsw h SER 45 Cb 1.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2nsw h SER 45 CO 0.11 0.00 -0.75 -0.61 -0.53 0.00 0.00 176.83 175.05 2nsw h GLN 46 N 0.00 0.03 0.01 2.24 4.15 -1.78 -2.96 115.11 116.81 2nsw h GLN 46 Ca 0.20 -0.03 -0.27 0.00 0.77 0.00 0.00 58.65 59.32 2nsw h GLN 46 Cb 1.18 0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.90 2nsw h GLN 46 CO -0.00 0.77 -1.07 0.77 -1.93 0.00 0.00 178.83 177.36 2nsw h SER 47 N 0.02 0.91 0.41 -0.69 0.02 0.10 -1.83 113.55 112.48 2nsw h SER 47 Ca -0.01 -0.74 -0.01 0.00 -0.84 0.00 0.00 61.79 60.19 2nsw h SER 47 Cb 1.33 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2nsw h SER 47 CO 0.10 1.55 -0.51 0.00 -1.14 0.00 0.00 176.83 176.83 2nsw h ALA 49 N -0.83 1.00 0.00 0.00 0.00 -1.61 0.17 119.26 117.99 2nsw h ALA 49 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2nsw h ALA 49 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2nsw h ALA 49 CO -0.12 0.00 -0.11 0.78 0.00 0.00 0.00 179.25 179.80 2nsw h GLY 50 N 1.00 0.00 -1.23 0.00 0.00 0.28 -3.32 103.07 99.80 2nsw h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nsw h GLY 50 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.54 176.41 2nsw n MET 51 N -4.67 1.78 -0.51 4.80 1.56 0.59 -3.87 117.12 116.80 2nsw n MET 51 Ca -0.07 -0.80 -0.04 0.00 -0.27 0.00 0.00 57.70 56.51 2nsw n MET 51 Cb 0.29 -1.44 0.14 0.00 2.15 0.00 0.00 33.22 34.36 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 0.14 3.60 -1.44 -5.12 0.00 0.02 -3.56 120.51 114.14 2nsw n ALA 52 Ca 0.07 -1.16 0.14 0.00 0.00 0.00 0.00 53.44 52.49 2nsw n ALA 52 Cb 0.34 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.01 -7.60 0.00 0.00 8.00 -1.25 -4.55 116.55 111.14 2nsw n ASP 53 Ca 0.21 1.48 0.00 0.00 0.71 0.00 0.00 54.79 57.19 2nsw n ASP 53 Cb 0.89 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 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 -4.03 0.00 -0.04 -2.24 7.64 -1.26 -4.74 113.62 108.96 2nsw n SER 54 Ca -0.08 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.90 2nsw n SER 54 Cb 0.63 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.27 1.00 0.07 6.43 2.85 -1.26 -4.20 115.26 118.88 2nsw n ASN 55 Ca 0.00 -1.00 -0.09 0.00 -0.11 0.00 0.00 54.58 53.38 2nsw n ASN 55 Cb 0.00 0.96 0.01 0.00 1.24 0.00 0.00 39.78 41.99 2nsw n ASN 55 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2nsw h ASP 56 N 0.18 0.36 -3.73 1.20 1.82 -1.93 -3.44 116.42 110.88 2nsw h ASP 56 Ca 0.00 -0.26 -0.47 0.00 -0.39 0.00 0.00 57.03 55.91 2nsw h ASP 56 Cb 0.48 -0.11 0.19 0.00 0.68 0.00 0.00 39.33 40.57 2nsw h ASP 56 CO 0.00 1.03 0.13 0.00 -1.61 0.00 0.00 179.24 178.78 2nsw n PRO 58 N -4.49 2.30 -2.70 0.00 -0.04 -1.26 -4.88 135.00 123.93 2nsw n PRO 58 Ca 0.06 -1.39 -0.25 0.00 -0.04 0.00 0.00 63.50 61.89 2nsw n PRO 58 Cb 0.54 -2.32 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 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 5.77 0.00 3.54 -0.87 -1.26 -5.15 114.94 119.61 2nsw s ASN 59 Ca 0.52 0.53 0.00 0.00 -1.57 0.00 0.00 52.86 52.34 2nsw s ASN 59 Cb 0.18 -1.68 0.00 0.00 -0.02 0.00 0.00 41.25 39.73 2nsw s ASN 59 CO -0.03 -0.84 0.00 0.00 -2.57 0.00 0.00 177.10 173.66