#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 1.66 0.07 5.18 -5.35 -1.26 -3.98 119.36 115.68 2nsw n ILE 2 Ca 0.00 -0.72 0.15 0.00 -0.27 0.00 0.00 62.75 61.91 2nsw n ILE 2 Cb 0.00 -1.33 0.64 0.00 -1.74 0.00 0.00 39.64 37.22 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 0.03 0.06 0.00 6.28 -0.00 -1.97 0.95 114.58 119.94 2nsw h GLU 3 Ca -0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 2nsw h GLU 3 Cb 2.03 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 30.77 2nsw h GLU 3 CO 0.07 0.04 0.00 -0.25 -0.00 0.00 0.00 179.01 178.87 2nsw n ASP 4 N -4.44 0.00 -0.16 3.06 8.00 -1.26 -2.22 116.55 119.53 2nsw n ASP 4 Ca 0.06 -0.13 0.05 0.00 0.71 0.00 0.00 54.79 55.48 2nsw n ASP 4 Cb 0.41 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.24 0.00 -2.63 1.24 3.72 0.32 -5.05 117.46 113.82 2nsw n PHE 5 Ca 0.11 -0.58 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 2nsw n PHE 5 Cb 0.15 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.59 3.54 -0.55 1.38 5.04 -0.61 -3.44 117.35 121.13 2nsw s TYR 6 Ca 0.16 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.36 2nsw s TYR 6 Cb 0.14 -3.21 0.14 0.00 0.35 0.00 0.00 41.96 39.37 2nsw s TYR 6 CO 0.01 -0.40 0.32 0.95 -1.34 0.00 0.00 175.55 175.10 2nsw s THR 7 N 1.38 3.07 -1.42 4.34 -4.23 0.53 -4.90 115.64 114.41 2nsw s THR 7 Ca 0.53 -3.06 0.16 0.00 -1.18 0.00 0.00 61.69 58.14 2nsw s THR 7 Cb -0.22 -3.07 0.28 0.00 1.34 0.00 0.00 72.50 70.83 2nsw s THR 7 CO 0.25 -0.81 1.48 -0.24 -0.54 0.00 0.00 174.62 174.76 2nsw n SER 8 N 3.40 0.00 -0.05 3.99 2.88 -1.26 -0.37 113.62 122.21 2nsw n SER 8 Ca 0.06 0.06 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 2nsw n SER 8 Cb 0.36 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.53 0.00 -1.46 4.81 -1.90 -3.34 114.58 113.22 2nsw h GLU 9 Ca 0.00 -0.35 -0.26 0.00 -0.13 0.00 0.00 59.36 58.61 2nsw h GLU 9 Cb 0.16 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2nsw h GLU 9 CO 0.00 0.97 -2.17 -2.37 -0.73 0.00 0.00 179.01 174.70 2nsw n THR 10 N -4.31 0.98 -1.99 0.32 5.66 -1.07 -4.96 114.28 108.91 2nsw n THR 10 Ca -0.06 -0.70 -0.41 0.00 -3.05 0.00 0.00 64.05 59.82 2nsw n THR 10 Cb 0.51 -0.39 -0.02 0.00 -1.55 0.00 0.00 70.33 68.88 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 1.51 0.36 -4.44 0.00 -0.04 -1.26 -4.73 135.00 126.40 2nsw n PRO 12 Ca 0.04 0.07 -0.27 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 32.23 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 -2.52 2.03 0.00 0.54 2.02 -1.26 -5.02 117.35 113.13 2nsw s TYR 13 Ca 0.23 -0.40 0.22 0.00 -0.37 0.00 0.00 57.07 56.75 2nsw s TYR 13 Cb 0.15 -1.13 0.36 0.00 -0.40 0.00 0.00 41.96 40.94 2nsw s TYR 13 CO 0.34 0.23 1.14 0.36 -1.57 0.00 0.00 175.55 176.05 2nsw n LYS 14 N 1.21 0.00 -0.10 -0.62 0.00 -1.26 -4.64 118.16 112.75 2nsw n LYS 14 Ca -0.18 -1.83 -0.21 0.00 -0.00 0.00 0.00 58.31 56.08 2nsw n LYS 14 Cb 0.53 -0.08 -0.12 0.00 -0.00 0.00 0.00 35.03 35.36 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 0.42 2.00 -3.54 -5.58 5.15 -1.26 -5.04 115.26 107.41 2nsw n ASN 15 Ca 0.05 0.07 -0.12 0.00 -0.60 0.00 0.00 54.58 53.98 2nsw n ASN 15 Cb 1.08 -0.63 -0.05 0.00 -0.53 0.00 0.00 39.78 39.64 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 -6.85 -0.46 0.20 1.20 1.11 -1.26 -5.02 116.67 105.59 2nsw s ASP 16 Ca -0.32 0.40 -0.01 0.00 0.18 0.00 0.00 52.55 52.79 2nsw s ASP 16 Cb 0.09 0.40 0.15 0.00 1.07 0.00 0.00 42.92 44.64 2nsw s ASP 16 CO 0.62 -0.50 1.52 0.77 1.18 0.00 0.00 175.17 178.75 2nsw h SER 17 N 2.55 0.52 0.70 0.27 4.64 -1.95 -2.82 113.55 117.46 2nsw h SER 17 Ca -0.22 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 2nsw h SER 17 Cb 1.18 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2nsw h SER 17 CO 0.34 0.98 -0.40 1.56 -0.87 0.00 0.00 176.83 178.44 2nsw h GLN 18 N 0.35 0.00 0.65 4.77 4.20 -1.97 -2.13 115.11 120.98 2nsw h GLN 18 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2nsw h GLN 18 Cb 1.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.88 2nsw h GLN 18 CO 0.10 0.40 -0.31 1.25 -0.67 0.00 0.00 178.83 179.59 2nsw h LEU 19 N 0.00 -0.74 -1.58 1.46 7.12 -1.90 1.48 115.31 121.15 2nsw h LEU 19 Ca -0.00 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.00 2nsw h LEU 19 Cb 0.85 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 2nsw h LEU 19 CO 0.05 -0.45 0.29 0.00 -0.13 0.00 0.00 178.44 178.20 2nsw h ALA 20 N -0.73 1.70 -0.33 1.25 0.00 -1.52 -0.33 119.26 119.30 2nsw h ALA 20 Ca -0.09 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2nsw h ALA 20 Cb 0.70 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2nsw h ALA 20 CO 0.15 0.27 -0.48 2.35 0.00 0.00 0.00 179.25 181.54 2nsw h TRP 21 N 0.58 1.12 0.00 0.00 2.91 -1.04 -2.00 115.95 117.51 2nsw h TRP 21 Ca 0.16 -0.37 0.00 0.00 1.13 0.00 0.00 58.89 59.81 2nsw h TRP 21 Cb -0.05 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.38 2nsw h TRP 21 CO -0.00 1.21 0.00 -0.25 -1.03 0.00 0.00 178.44 178.37 2nsw n ASP 22 N -4.03 0.44 0.00 2.65 8.00 0.50 -0.61 116.55 123.50 2nsw n ASP 22 Ca -0.04 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2nsw n ASP 22 Cb 0.59 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 2nsw n ASP 22 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2nsw n THR 23 N -2.04 0.00 0.00 -3.53 -1.04 -0.59 -3.76 114.28 103.32 2nsw n THR 23 Ca 0.01 0.49 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 2nsw n THR 23 Cb 0.11 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 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 -1.92 5.21 0.00 0.00 3.41 0.22 -3.39 113.62 117.15 2nsw n SER 25 Ca 0.00 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 2nsw n SER 25 Cb 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 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 2.79 -0.53 0.00 5.00 0.00 -1.05 -4.40 105.19 107.00 2nsw n GLY 26 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.06 3.01 0.65 -0.02 0.00 -1.22 -4.97 105.19 102.69 2nsw n GLY 27 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.28 114.28 110.11 2nsw n THR 28 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2nsw n THR 28 Cb 0.00 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 3.45 1.29 2.58 3.38 0.00 -1.26 -4.07 105.19 110.55 2nsw n GLY 29 Ca -0.03 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 3.52 1.17 -4.77 1.61 6.94 -1.25 -4.96 115.26 117.51 2nsw n ASN 30 Ca 0.00 -2.77 -0.40 0.00 -0.02 0.00 0.00 54.58 51.40 2nsw n ASN 30 Cb 0.00 -0.47 -0.01 0.00 -2.36 0.00 0.00 39.78 36.94 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 0.72 -1.11 0.10 0.00 0.00 -1.26 -4.99 105.19 98.65 2nsw n GLY 32 Ca 0.02 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.01 0.00 0.11 2.61 -1.04 -1.26 -3.48 114.28 111.21 2nsw n THR 33 Ca 0.00 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.05 61.79 2nsw n THR 33 Cb 0.00 -0.04 -0.13 0.00 -1.82 0.00 0.00 70.33 68.34 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 0.51 1.46 0.00 12.58 2.07 -1.94 -3.02 116.25 127.92 2nsw h VAL 34 Ca 0.00 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.55 2nsw h VAL 34 Cb 0.41 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2nsw h VAL 34 CO 0.00 0.87 0.00 0.00 0.02 0.00 0.00 177.57 178.46 2nsw n GLY 37 N -1.10 5.41 0.00 0.00 0.00 -1.09 -3.10 105.19 105.31 2nsw n GLY 37 Ca -0.02 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.45 1.20 0.00 1.61 -0.06 -1.12 -4.89 117.38 113.66 2nsw n GLN 38 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.55 2nsw n GLN 38 Cb 0.44 -0.97 0.00 0.00 -4.06 0.00 0.00 30.24 25.65 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 -1.73 1.82 0.04 0.00 0.40 -1.18 0.20 117.98 117.54 2nsw s PHE 40 Ca 0.00 -0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 55.43 2nsw s PHE 40 Cb 0.00 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 2nsw s PHE 40 CO 0.00 -0.01 -0.03 0.45 0.70 0.00 0.00 175.22 176.33 2nsw s SER 41 N -4.01 0.45 0.77 1.36 0.15 -1.22 -3.72 113.70 107.48 2nsw s SER 41 Ca 0.17 -0.90 -0.15 0.00 0.70 0.00 0.00 55.95 55.77 2nsw s SER 41 Cb 0.01 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 2nsw s SER 41 CO 0.10 -0.54 0.81 0.33 1.20 0.00 0.00 173.24 175.14 2nsw n PHE 42 N 0.40 0.07 1.50 3.44 7.35 -1.26 0.02 117.46 128.98 2nsw n PHE 42 Ca -0.16 0.36 0.02 0.00 -0.76 0.00 0.00 57.45 56.91 2nsw n PHE 42 Cb 0.60 -2.00 0.12 0.00 0.35 0.00 0.00 39.48 38.55 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 -1.08 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 0.00 0.52 2.07 -0.81 -2.60 116.25 116.73 2nsw h VAL 44 Ca 0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2nsw h VAL 44 Cb 0.00 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2nsw h VAL 44 CO 0.00 0.55 0.33 -1.28 0.02 0.00 0.00 177.57 177.20 2nsw h SER 45 N 0.60 0.00 0.93 0.57 0.87 -1.39 1.42 113.55 116.56 2nsw h SER 45 Ca 0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 2nsw h SER 45 Cb 1.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 2nsw h SER 45 CO 0.11 0.00 -1.14 -0.61 -0.53 0.00 0.00 176.83 174.66 2nsw h GLN 46 N 0.00 0.00 -0.03 2.24 4.15 -1.76 -3.33 115.11 116.37 2nsw h GLN 46 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 2nsw h GLN 46 Cb 0.67 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.37 2nsw h GLN 46 CO 0.00 0.31 -0.92 0.77 -1.93 0.00 0.00 178.83 177.06 2nsw h SER 47 N 0.00 0.70 0.06 -0.69 0.02 0.19 -2.52 113.55 111.31 2nsw h SER 47 Ca -0.11 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2nsw h SER 47 Cb 1.48 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2nsw h SER 47 CO 0.05 1.32 -0.10 0.00 -1.14 0.00 0.00 176.83 176.96 2nsw h ALA 49 N -1.49 1.22 0.03 0.00 0.00 -1.67 0.10 119.26 117.45 2nsw h ALA 49 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nsw h ALA 49 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2nsw h ALA 49 CO -0.03 -0.22 -0.01 0.78 0.00 0.00 0.00 179.25 179.77 2nsw h GLY 50 N 0.00 -0.04 -1.43 0.00 0.00 -0.32 -3.28 103.07 98.00 2nsw h GLY 50 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2nsw h GLY 50 CO 0.00 -0.01 0.00 -0.13 0.00 0.00 0.00 176.54 176.40 2nsw n MET 51 N -4.72 1.92 -0.40 4.80 1.56 0.54 -3.83 117.12 116.99 2nsw n MET 51 Ca -0.07 -0.86 0.03 0.00 -0.27 0.00 0.00 57.70 56.53 2nsw n MET 51 Cb 0.33 -1.55 0.18 0.00 2.15 0.00 0.00 33.22 34.33 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 0.16 3.14 -0.73 -5.12 0.00 0.22 -3.61 120.51 114.56 2nsw n ALA 52 Ca 0.08 -0.86 0.09 0.00 0.00 0.00 0.00 53.44 52.75 2nsw n ALA 52 Cb 0.41 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 2nsw n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nsw n ASP 53 N 0.27 -4.33 0.00 0.00 5.68 -1.25 -4.72 116.55 112.20 2nsw n ASP 53 Ca 0.13 0.75 0.00 0.00 -0.50 0.00 0.00 54.79 55.17 2nsw n ASP 53 Cb 0.68 -2.34 0.00 0.00 -1.14 0.00 0.00 41.12 38.32 2nsw n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2nsw n SER 54 N -4.34 0.00 -0.32 -1.12 7.64 -1.26 -4.86 113.62 109.36 2nsw n SER 54 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.01 2nsw n SER 54 Cb 0.32 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.84 1.35 0.18 6.43 5.15 -1.26 -3.75 115.26 122.53 2nsw n ASN 55 Ca 0.00 -1.09 0.14 0.00 -0.60 0.00 0.00 54.58 53.02 2nsw n ASN 55 Cb 0.00 0.25 0.49 0.00 -0.53 0.00 0.00 39.78 39.99 2nsw n ASN 55 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2nsw h ASP 56 N 1.59 0.00 -3.76 1.20 3.32 -1.89 -3.44 116.42 113.44 2nsw h ASP 56 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2nsw h ASP 56 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2nsw h ASP 56 CO 0.00 0.00 0.13 0.00 -1.72 0.00 0.00 179.24 177.65 2nsw n PRO 58 N -0.74 2.44 -2.97 0.00 -0.04 -1.26 -4.84 135.00 127.58 2nsw n PRO 58 Ca 0.04 -1.50 -0.19 0.00 -0.04 0.00 0.00 63.50 61.81 2nsw n PRO 58 Cb 0.53 -2.40 0.05 0.00 -0.04 0.00 0.00 33.50 31.64 2nsw n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nsw n ASN 59 N 3.57 2.06 0.00 3.54 3.02 -1.26 -5.13 115.26 121.07 2nsw n ASN 59 Ca 0.52 -2.46 0.06 0.00 -0.03 0.00 0.00 54.58 52.67 2nsw n ASN 59 Cb 0.32 -0.30 0.36 0.00 -0.61 0.00 0.00 39.78 39.54 2nsw n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64