#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 1.07 0.07 2.12 -5.35 -1.26 -4.42 119.36 111.58 2nsw n ILE 2 Ca 0.00 -0.37 0.20 0.00 -0.27 0.00 0.00 62.75 62.31 2nsw n ILE 2 Cb 0.00 -1.31 0.74 0.00 -1.74 0.00 0.00 39.64 37.34 2nsw n ILE 2 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2nsw h GLU 3 N -0.17 0.00 0.00 6.28 4.81 -1.96 1.58 114.58 125.11 2nsw h GLU 3 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2nsw h GLU 3 Cb 1.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.97 2nsw h GLU 3 CO -0.12 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 177.91 2nsw n ASP 4 N -3.96 0.00 -0.10 1.04 9.92 -1.26 -2.40 116.55 119.78 2nsw n ASP 4 Ca 0.08 0.42 0.05 0.00 -0.53 0.00 0.00 54.79 54.81 2nsw n ASP 4 Cb 0.59 -0.47 0.07 0.00 -0.64 0.00 0.00 41.12 40.67 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 -1.47 0.00 -2.55 1.24 3.72 0.53 -5.02 117.46 113.91 2nsw n PHE 5 Ca 0.06 -0.66 -0.43 0.00 -0.05 0.00 0.00 57.45 56.37 2nsw n PHE 5 Cb 0.24 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.78 2.97 -0.73 1.38 5.04 -0.54 -3.55 117.35 120.14 2nsw s TYR 6 Ca 0.17 1.08 -0.09 0.00 -2.44 0.00 0.00 57.07 55.78 2nsw s TYR 6 Cb 0.14 -3.74 0.19 0.00 0.35 0.00 0.00 41.96 38.91 2nsw s TYR 6 CO 0.02 -1.16 0.62 0.95 -1.34 0.00 0.00 175.55 174.64 2nsw s THR 7 N 3.86 4.80 -1.12 4.34 -4.23 0.50 -4.87 115.64 118.93 2nsw s THR 7 Ca 0.50 -2.64 0.13 0.00 -1.18 0.00 0.00 61.69 58.49 2nsw s THR 7 Cb -0.15 -4.02 0.14 0.00 1.34 0.00 0.00 72.50 69.81 2nsw s THR 7 CO 0.18 -0.96 1.38 -0.24 -0.54 0.00 0.00 174.62 174.44 2nsw n SER 8 N 3.81 0.00 0.02 3.99 2.88 -1.26 -0.50 113.62 122.57 2nsw n SER 8 Ca 0.10 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.91 2nsw n SER 8 Cb 0.43 -0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 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 -0.09 0.00 -1.46 4.81 -1.91 -3.32 114.58 112.61 2nsw h GLU 9 Ca 0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 2nsw h GLU 9 Cb 0.19 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2nsw h GLU 9 CO 0.00 0.35 -1.65 -2.37 -0.73 0.00 0.00 179.01 174.61 2nsw n THR 10 N -4.92 1.34 -1.96 0.32 5.66 -1.09 -4.90 114.28 108.74 2nsw n THR 10 Ca -0.08 -0.74 -0.41 0.00 -3.05 0.00 0.00 64.05 59.76 2nsw n THR 10 Cb 0.25 -0.81 -0.02 0.00 -1.55 0.00 0.00 70.33 68.20 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 4.20 0.00 0.00 0.00 0.13 -1.86 -3.45 132.00 131.03 2nsw h PRO 12 Ca -0.48 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 2nsw h PRO 12 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2nsw h PRO 12 CO 0.72 0.34 -0.25 0.66 -0.23 0.00 0.00 178.00 179.24 2nsw n TYR 13 N -3.35 -0.72 -0.32 1.56 4.01 -1.26 -5.14 117.16 111.94 2nsw n TYR 13 Ca 0.01 -2.26 0.00 0.00 -0.16 0.00 0.00 57.90 55.48 2nsw n TYR 13 Cb 0.56 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2nsw n TYR 13 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2nsw n LYS 14 N -1.80 0.00 0.00 -0.72 0.00 -1.26 -4.78 118.16 109.61 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 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.64 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 -3.97 -5.58 5.15 -1.26 -4.65 115.26 104.94 2nsw n ASN 15 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 2nsw n ASN 15 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 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 0.27 0.18 1.20 1.11 -1.26 -5.04 116.67 113.13 2nsw s ASP 16 Ca 0.00 -0.69 0.05 0.00 0.18 0.00 0.00 52.55 52.09 2nsw s ASP 16 Cb 0.00 0.22 0.04 0.00 1.07 0.00 0.00 42.92 44.26 2nsw s ASP 16 CO 0.00 -0.55 1.41 -1.28 1.18 0.00 0.00 175.17 175.93 2nsw h SER 17 N 3.45 0.17 0.48 0.27 0.87 -1.94 -2.92 113.55 113.93 2nsw h SER 17 Ca -0.33 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2nsw h SER 17 Cb 1.18 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2nsw h SER 17 CO 0.55 0.93 0.00 -0.61 -0.53 0.00 0.00 176.83 177.17 2nsw h GLN 18 N 0.08 0.00 0.25 2.24 4.15 -1.96 -1.21 115.11 118.65 2nsw h GLN 18 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2nsw h GLN 18 Cb 1.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.14 2nsw h GLN 18 CO 0.12 0.00 -0.12 1.25 -1.93 0.00 0.00 178.83 178.15 2nsw h LEU 19 N 0.00 -0.28 -1.80 -2.39 5.85 -1.83 0.42 115.31 115.29 2nsw h LEU 19 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2nsw h LEU 19 Cb 0.24 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2nsw h LEU 19 CO 0.00 -0.07 0.24 0.00 -0.34 0.00 0.00 178.44 178.27 2nsw h ALA 20 N -1.58 2.01 -0.25 1.25 0.00 -1.63 0.17 119.26 119.22 2nsw h ALA 20 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2nsw h ALA 20 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2nsw h ALA 20 CO 0.06 -0.08 -0.50 2.35 0.00 0.00 0.00 179.25 181.07 2nsw h TRP 21 N 0.25 0.85 0.00 0.00 2.91 -1.24 -1.81 115.95 116.91 2nsw h TRP 21 Ca 0.15 -0.29 0.00 0.00 1.13 0.00 0.00 58.89 59.89 2nsw h TRP 21 Cb 0.30 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 2nsw h TRP 21 CO -0.00 1.05 0.00 -0.25 -1.03 0.00 0.00 178.44 178.21 2nsw n ASP 22 N -3.99 0.42 -0.03 2.65 9.92 0.15 -0.56 116.55 125.11 2nsw n ASP 22 Ca -0.03 0.65 -0.02 0.00 -0.53 0.00 0.00 54.79 54.86 2nsw n ASP 22 Cb 0.59 -0.72 -0.01 0.00 -0.64 0.00 0.00 41.12 40.34 2nsw n ASP 22 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2nsw n THR 23 N -2.01 0.53 0.00 -3.53 -1.04 -0.76 -3.85 114.28 103.63 2nsw n THR 23 Ca 0.01 0.39 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 2nsw n THR 23 Cb 0.11 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 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 -1.74 5.91 0.00 0.00 3.41 0.28 -3.75 113.62 117.73 2nsw n SER 25 Ca 0.00 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 2nsw n SER 25 Cb 0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 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 2.53 0.58 0.07 5.00 0.00 -0.97 -4.47 105.19 107.93 2nsw n GLY 26 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.23 3.04 0.00 -0.02 0.00 -1.25 -4.96 105.19 101.78 2nsw n GLY 27 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.42 2.61 -2.24 -1.26 -4.19 114.28 108.78 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 1.13 0.49 2.30 3.38 0.00 -1.26 -3.74 105.19 107.50 2nsw n GLY 29 Ca 0.00 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 4.73 7.26 -4.76 1.61 6.94 -1.26 -4.90 115.26 124.89 2nsw n ASN 30 Ca 0.00 -3.78 -0.42 0.00 -0.02 0.00 0.00 54.58 50.36 2nsw n ASN 30 Cb 0.00 -0.88 -0.01 0.00 -2.36 0.00 0.00 39.78 36.53 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 0.99 -1.93 0.03 0.00 0.00 -1.26 -4.94 105.19 98.09 2nsw n GLY 32 Ca 0.04 -1.15 0.15 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 -0.24 0.00 -0.02 2.61 -1.04 -1.26 -3.36 114.28 110.98 2nsw n THR 33 Ca 0.00 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.05 61.82 2nsw n THR 33 Cb 0.00 -0.38 -0.09 0.00 -1.82 0.00 0.00 70.33 68.04 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 0.16 1.33 0.00 12.58 2.07 -1.93 -2.68 116.25 127.78 2nsw h VAL 34 Ca 0.00 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2nsw h VAL 34 Cb 0.28 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2nsw h VAL 34 CO 0.00 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.19 2nsw n GLY 37 N -1.33 6.14 0.04 0.00 0.00 -0.84 -3.23 105.19 105.97 2nsw n GLY 37 Ca -0.06 -2.60 -0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.69 0.01 0.00 1.61 -0.06 -1.03 -4.89 117.38 112.34 2nsw n GLN 38 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.48 2nsw n GLN 38 Cb 0.78 -0.99 0.00 0.00 -4.06 0.00 0.00 30.24 25.97 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 -2.22 0.62 -3.81 0.00 3.01 -1.24 0.19 117.46 114.01 2nsw n PHE 40 Ca 0.00 -1.77 -0.10 0.00 1.01 0.00 0.00 57.45 56.58 2nsw n PHE 40 Cb 0.44 -0.25 -0.08 0.00 -0.01 0.00 0.00 39.48 39.58 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 -3.04 -0.02 0.76 4.37 0.15 -1.20 -3.67 113.70 111.07 2nsw s SER 41 Ca 0.03 -0.36 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 2nsw s SER 41 Cb -0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2nsw s SER 41 CO 0.02 -0.62 0.73 0.33 1.20 0.00 0.00 173.24 174.90 2nsw n PHE 42 N 0.47 -0.18 1.50 3.44 7.35 -1.26 -0.03 117.46 128.75 2nsw n PHE 42 Ca -0.18 0.36 0.02 0.00 -0.76 0.00 0.00 57.45 56.88 2nsw n PHE 42 Cb 0.60 -1.97 0.09 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 -1.54 0.75 -0.11 -7.13 -0.04 -1.26 -4.66 135.00 121.01 2nsw n PRO 43 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2nsw n PRO 43 Cb 0.50 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 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 1.27 -0.04 0.52 2.07 -0.81 -2.55 116.25 116.71 2nsw h VAL 44 Ca 0.00 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 65.94 2nsw h VAL 44 Cb 0.00 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2nsw h VAL 44 CO 0.00 0.53 0.42 -1.28 0.02 0.00 0.00 177.57 177.26 2nsw h SER 45 N 0.75 0.00 0.79 0.57 0.87 -1.45 1.14 113.55 116.22 2nsw h SER 45 Ca 0.05 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.37 2nsw h SER 45 Cb 1.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2nsw h SER 45 CO 0.10 0.00 -1.17 -0.61 -0.53 0.00 0.00 176.83 174.62 2nsw h GLN 46 N 0.00 0.12 0.01 2.24 4.15 -1.76 -3.18 115.11 116.69 2nsw h GLN 46 Ca 0.02 -0.20 -0.25 0.00 0.77 0.00 0.00 58.65 58.99 2nsw h GLN 46 Cb 0.86 0.07 0.01 0.00 0.21 0.00 0.00 27.48 28.64 2nsw h GLN 46 CO -0.00 1.06 -1.00 0.66 -1.93 0.00 0.00 178.83 177.61 2nsw h SER 47 N 0.03 0.71 0.12 -0.69 4.64 0.12 -1.69 113.55 116.79 2nsw h SER 47 Ca -0.09 -0.58 0.02 0.00 -0.47 0.00 0.00 61.79 60.67 2nsw h SER 47 Cb 1.88 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.71 2nsw h SER 47 CO 0.16 1.38 -0.32 0.00 -0.87 0.00 0.00 176.83 177.17 2nsw h ALA 49 N 0.10 1.00 0.03 0.00 0.00 -1.61 -1.50 119.26 117.29 2nsw h ALA 49 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2nsw h ALA 49 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2nsw h ALA 49 CO -0.19 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 179.82 2nsw h GLY 50 N 1.84 -0.04 -1.06 0.00 0.00 0.41 -3.27 103.07 100.96 2nsw h GLY 50 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 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 1.65 -0.72 4.80 1.56 0.43 -3.91 117.12 116.20 2nsw n MET 51 Ca -0.08 -0.72 -0.14 0.00 -0.27 0.00 0.00 57.70 56.49 2nsw n MET 51 Cb 0.34 -1.36 0.09 0.00 2.15 0.00 0.00 33.22 34.45 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 0.09 4.36 -1.37 -5.12 0.00 -0.58 -3.61 120.51 114.29 2nsw n ALA 52 Ca 0.07 -1.65 0.16 0.00 0.00 0.00 0.00 53.44 52.01 2nsw n ALA 52 Cb 0.29 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.35 -7.22 0.00 0.00 9.92 -1.25 -4.66 116.55 112.99 2nsw n ASP 53 Ca 0.34 1.28 0.00 0.00 -0.53 0.00 0.00 54.79 55.87 2nsw n ASP 53 Cb 1.09 -4.66 0.00 0.00 -0.64 0.00 0.00 41.12 36.91 2nsw n ASP 53 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2nsw n SER 54 N -4.26 0.00 -0.20 -2.24 7.64 -1.26 -4.78 113.62 108.52 2nsw n SER 54 Ca -0.08 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.88 2nsw n SER 54 Cb 0.63 0.00 -0.04 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 -0.54 1.23 0.21 6.43 5.15 -1.26 -4.21 115.26 122.28 2nsw n ASN 55 Ca 0.00 -1.12 0.14 0.00 -0.60 0.00 0.00 54.58 53.01 2nsw n ASN 55 Cb 0.00 0.72 0.47 0.00 -0.53 0.00 0.00 39.78 40.43 2nsw n ASN 55 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2nsw h ASP 56 N 0.99 0.00 -4.04 1.20 1.82 -1.89 -3.45 116.42 111.06 2nsw h ASP 56 Ca 0.00 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 56.19 2nsw h ASP 56 Cb 0.47 0.00 0.15 0.00 0.68 0.00 0.00 39.33 40.64 2nsw h ASP 56 CO 0.00 0.00 0.32 0.00 -1.61 0.00 0.00 179.24 177.95 2nsw n PRO 58 N -3.95 0.75 -2.92 0.00 -0.04 -1.26 -4.78 135.00 122.81 2nsw n PRO 58 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 2nsw n PRO 58 Cb 0.60 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.99 6.96 0.00 3.54 -0.87 -1.26 -5.20 114.94 116.12 2nsw s ASN 59 Ca 0.36 1.58 0.00 0.00 -1.57 0.00 0.00 52.86 53.23 2nsw s ASN 59 Cb 0.16 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.90 2nsw s ASN 59 CO 0.28 -0.25 0.00 0.00 -2.57 0.00 0.00 177.10 174.55