#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 -0.46 0.53 3.07 -2.00 -3.28 117.51 116.52 2nsw h ILE 2 Ca 0.00 -2.82 0.13 0.00 1.55 0.00 0.00 64.86 63.72 2nsw h ILE 2 Cb 0.00 2.73 -0.02 0.00 -0.27 0.00 0.00 36.82 39.26 2nsw h ILE 2 CO 0.00 0.80 0.34 1.05 -1.05 0.00 0.00 178.15 179.30 2nsw h GLU 3 N 0.06 0.00 0.00 0.16 4.11 -1.97 1.23 114.58 118.16 2nsw h GLU 3 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 2nsw h GLU 3 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2nsw h GLU 3 CO 0.15 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.98 2nsw n ASP 4 N -4.31 0.00 -0.25 3.06 9.92 -1.24 -2.30 116.55 121.44 2nsw n ASP 4 Ca 0.08 -0.30 0.05 0.00 -0.53 0.00 0.00 54.79 54.09 2nsw n ASP 4 Cb 0.55 -0.18 0.07 0.00 -0.64 0.00 0.00 41.12 40.92 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 -1.18 0.00 -2.55 1.24 3.72 0.42 -5.04 117.46 114.07 2nsw n PHE 5 Ca 0.13 -0.53 -0.43 0.00 -0.05 0.00 0.00 57.45 56.57 2nsw n PHE 5 Cb 0.14 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.51 2.98 -0.79 1.38 5.04 -0.74 -3.76 117.35 119.95 2nsw s TYR 6 Ca 0.16 1.08 -0.11 0.00 -2.44 0.00 0.00 57.07 55.76 2nsw s TYR 6 Cb 0.14 -3.74 0.21 0.00 0.35 0.00 0.00 41.96 38.92 2nsw s TYR 6 CO 0.02 -1.14 0.70 0.95 -1.34 0.00 0.00 175.55 174.73 2nsw s THR 7 N 3.86 5.19 -2.00 4.34 -4.23 0.15 -4.85 115.64 118.09 2nsw s THR 7 Ca 0.50 -2.60 0.24 0.00 -1.18 0.00 0.00 61.69 58.65 2nsw s THR 7 Cb -0.14 -4.23 0.68 0.00 1.34 0.00 0.00 72.50 70.14 2nsw s THR 7 CO 0.18 -1.00 1.80 -0.24 -0.54 0.00 0.00 174.62 174.82 2nsw n SER 8 N 3.84 0.00 0.04 3.99 2.88 -1.26 -0.51 113.62 122.61 2nsw n SER 8 Ca 0.13 -0.77 -0.20 0.00 -1.33 0.00 0.00 58.87 56.70 2nsw n SER 8 Cb 0.45 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.43 0.00 -1.46 4.81 -1.91 -3.37 114.58 113.08 2nsw h GLU 9 Ca 0.00 -0.57 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 2nsw h GLU 9 Cb 0.00 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2nsw h GLU 9 CO 0.00 1.23 -1.82 -2.37 -0.73 0.00 0.00 179.01 175.32 2nsw n THR 10 N -4.07 0.35 -1.98 0.32 5.66 -1.15 -4.97 114.28 108.44 2nsw n THR 10 Ca -0.13 -0.45 -0.41 0.00 -3.05 0.00 0.00 64.05 60.01 2nsw n THR 10 Cb 0.81 -0.12 -0.02 0.00 -1.55 0.00 0.00 70.33 69.46 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 1.25 0.24 -4.45 0.00 -0.04 -1.26 -4.74 135.00 126.00 2nsw n PRO 12 Ca 0.03 0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 63.50 2nsw n PRO 12 Cb 0.40 -1.85 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 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 -3.22 2.78 -0.07 0.54 2.02 -1.26 -5.01 117.35 113.14 2nsw s TYR 13 Ca 0.07 -0.11 0.22 0.00 -0.37 0.00 0.00 57.07 56.88 2nsw s TYR 13 Cb 0.11 -1.54 0.44 0.00 -0.40 0.00 0.00 41.96 40.57 2nsw s TYR 13 CO 0.50 0.36 1.17 0.36 -1.57 0.00 0.00 175.55 176.37 2nsw n LYS 14 N 1.34 0.54 -0.13 -0.62 0.00 -1.26 -4.73 118.16 113.30 2nsw n LYS 14 Ca -0.15 -2.44 -0.24 0.00 -0.00 0.00 0.00 58.31 55.48 2nsw n LYS 14 Cb 0.52 -0.51 -0.11 0.00 -0.00 0.00 0.00 35.03 34.94 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 0.07 1.96 -3.52 -5.58 2.85 -1.26 -5.06 115.26 104.72 2nsw n ASN 15 Ca 0.09 0.13 -0.12 0.00 -0.11 0.00 0.00 54.58 54.58 2nsw n ASN 15 Cb 1.03 -0.63 -0.04 0.00 1.24 0.00 0.00 39.78 41.38 2nsw n ASN 15 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2nsw s ASP 16 N -7.02 -0.45 0.18 1.20 2.15 -1.26 -5.02 116.67 106.45 2nsw s ASP 16 Ca -0.36 0.29 -0.00 0.00 0.43 0.00 0.00 52.55 52.90 2nsw s ASP 16 Cb 0.12 0.41 0.08 0.00 -0.30 0.00 0.00 42.92 43.23 2nsw s ASP 16 CO 0.53 -0.56 1.45 0.77 -0.17 0.00 0.00 175.17 177.19 2nsw h SER 17 N 2.40 0.43 0.87 -0.34 4.64 -1.95 -2.94 113.55 116.67 2nsw h SER 17 Ca -0.23 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 2nsw h SER 17 Cb 1.20 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2nsw h SER 17 CO 0.33 1.01 -0.38 -0.61 -0.87 0.00 0.00 176.83 176.32 2nsw h GLN 18 N 0.25 0.00 0.81 4.77 -0.00 -1.97 -1.98 115.11 116.99 2nsw h GLN 18 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 2nsw h GLN 18 Cb 1.29 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.77 2nsw h GLN 18 CO 0.12 0.38 -0.39 1.25 0.00 0.00 0.00 178.83 180.19 2nsw h LEU 19 N 0.00 -0.93 -1.68 -2.39 7.12 -1.92 0.58 115.31 116.10 2nsw h LEU 19 Ca -0.00 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.05 2nsw h LEU 19 Cb 0.92 0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.27 2nsw h LEU 19 CO 0.05 -0.56 0.23 0.00 -0.13 0.00 0.00 178.44 178.02 2nsw h ALA 20 N -1.28 1.79 -0.44 1.25 0.00 -1.56 0.43 119.26 119.45 2nsw h ALA 20 Ca -0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2nsw h ALA 20 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2nsw h ALA 20 CO 0.18 0.19 -0.18 2.35 0.00 0.00 0.00 179.25 181.79 2nsw h TRP 21 N 0.44 0.96 0.00 0.00 2.91 -1.15 -0.83 115.95 118.28 2nsw h TRP 21 Ca 0.13 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 59.94 2nsw h TRP 21 Cb -0.01 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.41 2nsw h TRP 21 CO -0.00 0.96 0.00 -3.47 -1.03 0.00 0.00 178.44 174.90 2nsw n ASP 22 N -4.13 0.37 -0.00 2.65 -0.08 0.20 -0.11 116.55 115.45 2nsw n ASP 22 Ca 0.01 0.63 -0.00 0.00 -1.51 0.00 0.00 54.79 53.91 2nsw n ASP 22 Cb 0.42 -0.69 -0.00 0.00 2.34 0.00 0.00 41.12 43.18 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 -1.95 0.05 0.17 5.18 -1.04 -0.40 -4.01 114.28 112.28 2nsw n THR 23 Ca 0.01 0.49 -0.07 0.00 -2.04 0.00 0.00 64.05 62.44 2nsw n THR 23 Cb 0.12 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.06 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 -3.68 5.85 0.00 0.00 3.41 0.84 -3.93 113.62 116.11 2nsw n SER 25 Ca -0.06 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 2nsw n SER 25 Cb 0.17 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 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 2.90 4.65 0.09 5.00 0.00 -0.89 -4.42 105.19 112.52 2nsw n GLY 26 Ca 0.50 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 2.14 -0.33 0.00 -0.02 0.00 -1.26 -2.76 105.19 102.95 2nsw n GLY 27 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.99 0.00 0.00 2.61 -2.24 -1.26 -3.69 114.28 106.70 2nsw n THR 28 Ca -0.33 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2nsw n THR 28 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.73 1.32 2.32 3.38 0.00 -1.26 -4.39 105.19 107.28 2nsw n GLY 29 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 2.96 1.77 -4.77 1.61 6.94 -1.26 -4.89 115.26 117.63 2nsw n ASN 30 Ca 0.00 -3.05 -0.39 0.00 -0.02 0.00 0.00 54.58 51.12 2nsw n ASN 30 Cb 0.00 -0.64 -0.06 0.00 -2.36 0.00 0.00 39.78 36.72 2nsw n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nsw n GLY 32 N 1.85 -1.54 0.07 0.00 0.00 -1.26 -4.97 105.19 99.34 2nsw n GLY 32 Ca -0.05 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 0.18 0.00 0.01 2.61 -1.04 -1.26 -3.45 114.28 111.33 2nsw n THR 33 Ca 0.00 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.05 61.79 2nsw n THR 33 Cb 0.00 -0.23 -0.10 0.00 -1.82 0.00 0.00 70.33 68.18 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 0.37 1.32 0.00 12.58 2.07 -1.95 -2.76 116.25 127.88 2nsw h VAL 34 Ca 0.00 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2nsw h VAL 34 Cb 0.32 2.30 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 -1.32 6.14 0.62 0.00 0.00 -0.90 -2.83 105.19 106.90 2nsw n GLY 37 Ca -0.04 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.81 0.00 -0.03 1.61 -0.06 -1.02 -4.84 117.38 112.24 2nsw n GLN 38 Ca 0.48 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.47 2nsw n GLN 38 Cb 0.88 -0.68 -0.07 0.00 -4.06 0.00 0.00 30.24 26.32 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 -2.14 -0.10 -3.73 0.00 3.01 -1.21 -0.68 117.46 112.61 2nsw n PHE 40 Ca -0.09 -0.80 -0.11 0.00 1.01 0.00 0.00 57.45 57.46 2nsw n PHE 40 Cb 0.59 0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 40.04 2nsw n PHE 40 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2nsw s SER 41 N -1.71 -0.14 0.79 4.37 0.15 -1.13 -3.41 113.70 112.63 2nsw s SER 41 Ca 0.09 -0.27 -0.14 0.00 0.70 0.00 0.00 55.95 56.32 2nsw s SER 41 Cb 0.00 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 2nsw s SER 41 CO 0.06 -0.70 0.84 0.33 1.20 0.00 0.00 173.24 174.97 2nsw n PHE 42 N 0.25 0.15 1.50 3.44 7.35 -1.26 -0.08 117.46 128.80 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 -2.00 0.11 0.00 0.35 0.00 0.00 39.48 38.56 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 -2.07 0.75 -0.05 -7.13 -0.04 -1.26 -4.65 135.00 120.55 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 0.51 -1.08 -0.01 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 -0.16 0.52 2.07 -0.88 -2.69 116.25 116.39 2nsw h VAL 44 Ca 0.00 -1.74 0.05 0.00 0.82 0.00 0.00 66.70 65.83 2nsw h VAL 44 Cb 0.00 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2nsw h VAL 44 CO 0.00 0.56 0.48 -1.28 0.02 0.00 0.00 177.57 177.35 2nsw h SER 45 N 0.60 0.00 0.76 0.57 0.87 -1.32 1.26 113.55 116.29 2nsw h SER 45 Ca 0.02 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.37 2nsw h SER 45 Cb 1.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2nsw h SER 45 CO 0.11 0.00 -0.94 -0.61 -0.53 0.00 0.00 176.83 174.87 2nsw h GLN 46 N 0.00 0.10 0.04 2.24 4.15 -1.78 -3.12 115.11 116.75 2nsw h GLN 46 Ca 0.08 -0.13 -0.26 0.00 0.77 0.00 0.00 58.65 59.11 2nsw h GLN 46 Cb 1.04 0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.78 2nsw h GLN 46 CO -0.00 0.96 -1.07 0.77 -1.93 0.00 0.00 178.83 177.56 2nsw h SER 47 N 0.05 0.69 -0.29 -0.69 0.02 0.14 -1.60 113.55 111.87 2nsw h SER 47 Ca -0.04 -0.59 0.06 0.00 -0.84 0.00 0.00 61.79 60.38 2nsw h SER 47 Cb 1.62 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.89 2nsw h SER 47 CO 0.13 1.40 -0.09 0.00 -1.14 0.00 0.00 176.83 177.14 2nsw h ALA 49 N 1.26 1.00 0.07 0.00 0.00 -1.58 -2.29 119.26 117.71 2nsw h ALA 49 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nsw h ALA 49 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2nsw h ALA 49 CO -0.31 0.23 -0.03 0.78 0.00 0.00 0.00 179.25 179.92 2nsw h GLY 50 N 2.28 -0.10 -2.06 0.00 0.00 0.49 -3.22 103.07 100.46 2nsw h GLY 50 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 2nsw h GLY 50 CO 0.02 -0.04 0.06 -0.13 0.00 0.00 0.00 176.54 176.45 2nsw n MET 51 N -4.81 2.06 -0.93 4.80 1.56 0.52 -4.35 117.12 115.98 2nsw n MET 51 Ca -0.08 -1.03 -0.14 0.00 -0.27 0.00 0.00 57.70 56.18 2nsw n MET 51 Cb 0.30 -1.66 -0.01 0.00 2.15 0.00 0.00 33.22 34.00 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 5.26 -1.19 -5.12 0.00 -0.87 -2.10 120.51 116.64 2nsw n ALA 52 Ca 0.12 -1.56 0.13 0.00 0.00 0.00 0.00 53.44 52.14 2nsw n ALA 52 Cb 0.65 -1.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 0.96 -6.29 0.00 0.00 -0.08 -1.11 -4.72 116.55 105.30 2nsw n ASP 53 Ca 0.28 0.73 0.00 0.00 -1.51 0.00 0.00 54.79 54.30 2nsw n ASP 53 Cb 0.60 -3.80 0.00 0.00 2.34 0.00 0.00 41.12 40.25 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 -4.26 0.00 -0.02 1.67 7.64 -1.26 -4.91 113.62 112.48 2nsw n SER 54 Ca -0.03 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.87 2nsw n SER 54 Cb 0.63 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.19 0.35 0.00 6.43 5.15 -1.26 -4.46 115.26 121.27 2nsw n ASN 55 Ca 0.00 -0.67 0.11 0.00 -0.60 0.00 0.00 54.58 53.42 2nsw n ASN 55 Cb 0.00 0.85 0.62 0.00 -0.53 0.00 0.00 39.78 40.72 2nsw n ASN 55 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2nsw n ASP 56 N -0.89 0.00 -4.86 1.20 8.00 -1.26 -4.76 116.55 113.98 2nsw n ASP 56 Ca 0.01 -0.29 -0.31 0.00 0.71 0.00 0.00 54.79 54.91 2nsw n ASP 56 Cb 0.06 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 2nsw n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nsw n PRO 58 N -1.63 2.28 -3.37 0.00 -0.04 -1.26 -4.85 135.00 126.12 2nsw n PRO 58 Ca 0.04 -1.38 -0.19 0.00 -0.04 0.00 0.00 63.50 61.93 2nsw n PRO 58 Cb 0.54 -2.32 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.64 5.39 0.00 3.54 -0.87 -1.26 -5.06 114.94 119.31 2nsw s ASN 59 Ca 0.52 -0.54 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 2nsw s ASN 59 Cb 0.18 -0.71 0.00 0.00 -0.02 0.00 0.00 41.25 40.70 2nsw s ASN 59 CO -0.03 -0.64 0.00 0.00 -2.57 0.00 0.00 177.10 173.86