#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 1.52 -0.00 5.18 -5.35 -1.26 -4.18 119.36 115.27 2nsw n ILE 2 Ca 0.00 -0.71 0.21 0.00 -0.27 0.00 0.00 62.75 61.98 2nsw n ILE 2 Cb 0.00 -1.12 0.70 0.00 -1.74 0.00 0.00 39.64 37.49 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 0.01 0.00 0.00 6.28 4.11 -1.96 1.51 114.58 124.53 2nsw h GLU 3 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2nsw h GLU 3 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2nsw h GLU 3 CO -0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 2nsw n ASP 4 N -4.30 0.19 -0.09 3.06 9.92 -1.26 -2.47 116.55 121.60 2nsw n ASP 4 Ca 0.10 0.53 0.06 0.00 -0.53 0.00 0.00 54.79 54.96 2nsw n ASP 4 Cb 0.64 -0.58 0.09 0.00 -0.64 0.00 0.00 41.12 40.63 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 -1.69 0.00 -2.54 1.24 3.01 0.50 -5.02 117.46 112.96 2nsw n PHE 5 Ca 0.05 -0.75 -0.43 0.00 1.01 0.00 0.00 57.45 57.33 2nsw n PHE 5 Cb 0.27 -0.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 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 -2.06 2.93 -1.02 1.38 5.04 -0.06 -3.84 117.35 119.73 2nsw s TYR 6 Ca 0.20 1.03 -0.11 0.00 -2.44 0.00 0.00 57.07 55.75 2nsw s TYR 6 Cb 0.18 -3.81 0.25 0.00 0.35 0.00 0.00 41.96 38.92 2nsw s TYR 6 CO 0.02 -1.22 1.02 0.95 -1.34 0.00 0.00 175.55 174.98 2nsw s THR 7 N 3.98 5.76 -1.24 4.34 -4.23 0.26 -4.82 115.64 119.69 2nsw s THR 7 Ca 0.50 -2.98 0.12 0.00 -1.18 0.00 0.00 61.69 58.15 2nsw s THR 7 Cb -0.14 -4.59 0.16 0.00 1.34 0.00 0.00 72.50 69.26 2nsw s THR 7 CO 0.19 -1.18 1.32 -0.24 -0.54 0.00 0.00 174.62 174.18 2nsw n SER 8 N 3.48 0.00 0.05 3.99 2.88 -1.26 -0.01 113.62 122.75 2nsw n SER 8 Ca 0.21 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.93 2nsw n SER 8 Cb 0.42 -0.38 -0.08 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.20 0.00 -1.46 4.22 -1.88 -3.35 114.58 111.91 2nsw h GLU 9 Ca 0.00 0.01 -0.23 0.00 0.08 0.00 0.00 59.36 59.22 2nsw h GLU 9 Cb 0.15 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2nsw h GLU 9 CO 0.00 0.24 -1.59 -2.37 -2.18 0.00 0.00 179.01 173.11 2nsw n THR 10 N -4.93 1.38 -1.96 0.32 5.66 -1.09 -4.89 114.28 108.77 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 0.27 -0.87 -0.02 0.00 -1.55 0.00 0.00 70.33 68.16 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 1.82 0.45 -4.47 0.00 -0.04 -1.26 -4.76 135.00 126.75 2nsw n PRO 12 Ca 0.05 0.05 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 2nsw n PRO 12 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.39 2.43 0.00 0.54 2.02 -1.26 -5.04 117.35 113.65 2nsw s TYR 13 Ca 0.26 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 2nsw s TYR 13 Cb 0.16 -1.33 0.05 0.00 -0.40 0.00 0.00 41.96 40.44 2nsw s TYR 13 CO 0.32 0.58 0.84 0.36 -1.57 0.00 0.00 175.55 176.09 2nsw n LYS 14 N -0.81 0.00 -3.07 -0.62 0.00 -1.26 -4.65 118.16 107.75 2nsw n LYS 14 Ca -0.05 -0.76 -0.29 0.00 -0.00 0.00 0.00 58.31 57.21 2nsw n LYS 14 Cb 0.62 0.14 -0.05 0.00 -0.00 0.00 0.00 35.03 35.75 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 0.06 4.60 0.00 -5.58 3.02 -1.26 -4.99 115.26 111.11 2nsw n ASN 15 Ca -0.10 -3.60 0.00 0.00 -0.03 0.00 0.00 54.58 50.85 2nsw n ASN 15 Cb 0.68 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.19 -1.17 0.24 6.41 2.03 -1.26 -4.34 116.55 118.65 2nsw n ASP 16 Ca 0.32 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.71 2nsw n ASP 16 Cb 0.38 0.73 0.60 0.00 -0.72 0.00 0.00 41.12 42.12 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 0.00 0.39 1.67 4.64 -1.94 -0.52 113.55 117.79 2nsw h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nsw h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2nsw h SER 17 CO 0.00 0.15 0.00 1.56 -0.87 0.00 0.00 176.83 177.67 2nsw h GLN 18 N 0.00 0.00 0.17 4.77 4.20 -1.97 0.20 115.11 122.48 2nsw h GLN 18 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2nsw h GLN 18 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2nsw h GLN 18 CO 0.02 0.00 -0.08 1.25 -0.67 0.00 0.00 178.83 179.35 2nsw h LEU 19 N 0.00 -0.19 -1.75 1.46 5.85 -1.28 0.28 115.31 119.68 2nsw h LEU 19 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2nsw h LEU 19 Cb 0.19 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2nsw h LEU 19 CO 0.00 0.17 -0.02 0.00 -0.34 0.00 0.00 178.44 178.24 2nsw h ALA 20 N -1.29 1.80 -0.11 1.25 0.00 -1.57 -0.64 119.26 118.70 2nsw h ALA 20 Ca -0.02 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 2nsw h ALA 20 Cb 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2nsw h ALA 20 CO 0.04 0.15 -0.82 2.35 0.00 0.00 0.00 179.25 180.97 2nsw h TRP 21 N 0.12 0.97 0.00 0.00 2.91 -0.69 -2.47 115.95 116.79 2nsw h TRP 21 Ca 0.03 -0.45 0.00 0.00 1.13 0.00 0.00 58.89 59.60 2nsw h TRP 21 Cb 0.13 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.64 2nsw h TRP 21 CO 0.00 1.27 0.00 -0.25 -1.03 0.00 0.00 178.44 178.43 2nsw n ASP 22 N -3.90 0.17 0.00 2.65 8.00 0.97 -0.06 116.55 124.38 2nsw n ASP 22 Ca -0.07 0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2nsw n ASP 22 Cb 0.77 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.70 0.00 0.31 -3.53 -1.04 -0.68 -3.95 114.28 103.68 2nsw n THR 23 Ca 0.02 0.32 -0.13 0.00 -2.04 0.00 0.00 64.05 62.22 2nsw n THR 23 Cb 0.12 -1.08 -0.06 0.00 -1.82 0.00 0.00 70.33 67.49 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 -5.32 5.72 0.00 0.00 3.41 0.91 -3.99 113.62 114.36 2nsw n SER 25 Ca -0.10 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 2nsw n SER 25 Cb 0.33 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 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 2.78 4.88 0.20 5.00 0.00 -0.80 -4.38 105.19 112.87 2nsw n GLY 26 Ca 0.48 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 1.40 -0.30 0.00 -0.02 0.00 -1.26 -2.72 105.19 102.29 2nsw n GLY 27 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.41 0.00 0.00 2.61 -2.24 -1.26 -3.78 114.28 106.19 2nsw n THR 28 Ca -0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2nsw n THR 28 Cb 0.84 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 2.38 1.29 2.29 3.38 0.00 -1.26 -4.32 105.19 108.94 2nsw n GLY 29 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 3.30 1.22 -4.74 1.61 0.23 -1.26 -4.93 115.26 110.69 2nsw n ASN 30 Ca 0.00 -2.99 -0.41 0.00 -0.53 0.00 0.00 54.58 50.65 2nsw n ASN 30 Cb 0.00 -0.63 -0.05 0.00 -2.08 0.00 0.00 39.78 37.02 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 1.80 -1.50 0.13 0.00 0.00 -1.26 -4.97 105.19 99.39 2nsw n GLY 32 Ca 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 1.30 0.00 -0.02 2.61 -1.04 -1.26 -3.63 114.28 112.24 2nsw n THR 33 Ca 0.00 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.05 61.78 2nsw n THR 33 Cb 0.00 -0.06 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 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 0.64 1.40 0.00 12.58 2.07 -1.93 -2.77 116.25 128.24 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 0.36 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2nsw h VAL 34 CO 0.00 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.15 2nsw n GLY 37 N -1.33 6.18 1.00 0.00 0.00 -0.86 -2.93 105.19 107.25 2nsw n GLY 37 Ca -0.04 -2.58 -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 -0.02 1.61 -0.06 -1.05 -4.84 117.38 112.30 2nsw n GLN 38 Ca 0.49 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.51 2nsw n GLN 38 Cb 0.81 -0.50 -0.07 0.00 -4.06 0.00 0.00 30.24 26.42 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 -1.97 -0.21 -3.74 0.00 3.01 -1.23 0.90 117.46 114.23 2nsw n PHE 40 Ca -0.06 -1.74 -0.11 0.00 1.01 0.00 0.00 57.45 56.56 2nsw n PHE 40 Cb 0.41 0.09 -0.07 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.55 -0.12 0.76 4.37 1.04 -1.15 -3.42 113.70 112.64 2nsw s SER 41 Ca 0.19 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 2nsw s SER 41 Cb 0.01 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2nsw s SER 41 CO 0.14 -0.70 0.77 0.33 0.98 0.00 0.00 173.24 174.76 2nsw n PHE 42 N 0.25 -0.06 1.50 5.02 7.35 -1.26 -0.00 117.46 130.26 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 0.15 0.00 0.35 0.00 0.00 39.48 38.60 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 -1.63 0.75 -0.07 -7.13 -0.04 -1.26 -4.65 135.00 120.98 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 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.45 0.52 2.07 -0.81 -2.69 116.25 116.17 2nsw h VAL 44 Ca 0.00 -1.69 0.13 0.00 0.82 0.00 0.00 66.70 65.96 2nsw h VAL 44 Cb 0.00 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2nsw h VAL 44 CO 0.00 0.55 0.51 -1.28 0.02 0.00 0.00 177.57 177.37 2nsw h SER 45 N 0.64 0.00 0.66 0.57 0.87 -1.34 1.09 113.55 116.03 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 -0.74 -0.61 -0.53 0.00 0.00 176.83 175.06 2nsw h GLN 46 N 0.00 0.06 0.03 2.24 4.15 -1.78 -3.04 115.11 116.77 2nsw h GLN 46 Ca 0.21 -0.05 -0.26 0.00 0.77 0.00 0.00 58.65 59.32 2nsw h GLN 46 Cb 1.23 0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.96 2nsw h GLN 46 CO -0.00 0.77 -1.06 0.77 -1.93 0.00 0.00 178.83 177.37 2nsw h SER 47 N 0.04 0.79 -0.63 -0.69 0.02 0.11 -1.48 113.55 111.71 2nsw h SER 47 Ca -0.01 -0.66 0.10 0.00 -0.84 0.00 0.00 61.79 60.37 2nsw h SER 47 Cb 1.30 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 2nsw h SER 47 CO 0.10 1.46 0.25 0.00 -1.14 0.00 0.00 176.83 177.50 2nsw h ALA 49 N 1.42 0.91 0.07 0.00 0.00 -1.54 -2.37 119.26 117.76 2nsw h ALA 49 Ca 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2nsw h ALA 49 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2nsw h ALA 49 CO -0.30 0.27 -0.04 0.78 0.00 0.00 0.00 179.25 179.97 2nsw h GLY 50 N 3.00 -0.10 -1.94 0.00 0.00 0.85 -3.26 103.07 101.62 2nsw h GLY 50 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2nsw h GLY 50 CO 0.03 -0.04 0.03 -0.13 0.00 0.00 0.00 176.54 176.43 2nsw n MET 51 N -4.80 2.09 -0.94 4.80 1.56 0.52 -4.31 117.12 116.06 2nsw n MET 51 Ca -0.07 -0.98 -0.16 0.00 -0.27 0.00 0.00 57.70 56.22 2nsw n MET 51 Cb 0.28 -1.68 0.00 0.00 2.15 0.00 0.00 33.22 33.97 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 5.25 -1.20 -5.12 0.00 -0.89 -1.90 120.51 116.81 2nsw n ALA 52 Ca 0.10 -1.65 0.14 0.00 0.00 0.00 0.00 53.44 52.03 2nsw n ALA 52 Cb 0.60 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 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 0.75 -6.41 0.00 0.00 -0.08 -1.10 -4.69 116.55 105.02 2nsw n ASP 53 Ca 0.29 0.75 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 2nsw n ASP 53 Cb 0.58 -3.85 0.00 0.00 2.34 0.00 0.00 41.12 40.19 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 -4.91 113.62 112.47 2nsw n SER 54 Ca -0.03 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.88 2nsw n SER 54 Cb 0.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.04 0.41 0.00 6.43 5.15 -1.26 -4.41 115.26 121.54 2nsw n ASN 55 Ca 0.00 -0.71 0.11 0.00 -0.60 0.00 0.00 54.58 53.39 2nsw n ASN 55 Cb 0.00 0.92 0.60 0.00 -0.53 0.00 0.00 39.78 40.77 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 -1.03 0.00 -4.83 1.20 8.00 -1.26 -4.76 116.55 113.87 2nsw n ASP 56 Ca 0.01 -0.23 -0.33 0.00 0.71 0.00 0.00 54.79 54.96 2nsw n ASP 56 Cb 0.11 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 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 -0.79 2.50 -3.02 0.00 -0.04 -1.26 -4.88 135.00 127.51 2nsw n PRO 58 Ca 0.06 -1.55 -0.23 0.00 -0.04 0.00 0.00 63.50 61.74 2nsw n PRO 58 Cb 0.54 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.74 5.91 0.00 3.54 -0.87 -1.26 -5.07 114.94 119.93 2nsw s ASN 59 Ca 0.52 0.33 0.00 0.00 -1.57 0.00 0.00 52.86 52.14 2nsw s ASN 59 Cb 0.16 -1.62 0.00 0.00 -0.02 0.00 0.00 41.25 39.77 2nsw s ASN 59 CO -0.04 -0.65 0.00 0.00 -2.57 0.00 0.00 177.10 173.85