#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 1.46 -0.32 0.53 3.07 -1.99 -3.18 117.51 117.07 2nsw h ILE 2 Ca 0.00 -2.41 0.09 0.00 1.55 0.00 0.00 64.86 64.09 2nsw h ILE 2 Cb 0.00 2.99 -0.01 0.00 -0.27 0.00 0.00 36.82 39.52 2nsw h ILE 2 CO 0.00 0.70 0.41 1.05 -1.05 0.00 0.00 178.15 179.26 2nsw h GLU 3 N -0.21 0.00 0.00 0.16 -0.00 -1.97 1.65 114.58 114.21 2nsw h GLU 3 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.22 2nsw h GLU 3 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.36 2nsw h GLU 3 CO 0.16 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 178.92 2nsw n ASP 4 N -3.57 0.00 -0.51 3.06 8.00 -1.20 -2.52 116.55 119.81 2nsw n ASP 4 Ca 0.05 -0.58 0.03 0.00 0.71 0.00 0.00 54.79 55.00 2nsw n ASP 4 Cb 0.56 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.08 0.00 -2.56 1.24 3.72 0.56 -5.06 117.46 114.29 2nsw n PHE 5 Ca 0.17 -0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 56.85 2nsw n PHE 5 Cb 0.11 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.68 3.03 -0.76 1.38 5.04 -0.90 -3.44 117.35 121.03 2nsw s TYR 6 Ca 0.11 1.15 -0.10 0.00 -2.44 0.00 0.00 57.07 55.78 2nsw s TYR 6 Cb 0.10 -3.61 0.20 0.00 0.35 0.00 0.00 41.96 39.00 2nsw s TYR 6 CO -0.01 -1.08 0.66 0.95 -1.34 0.00 0.00 175.55 174.72 2nsw s THR 7 N 3.68 4.99 -1.97 4.34 -4.23 -0.04 -4.86 115.64 117.54 2nsw s THR 7 Ca 0.49 -2.61 0.24 0.00 -1.18 0.00 0.00 61.69 58.63 2nsw s THR 7 Cb -0.16 -4.12 0.67 0.00 1.34 0.00 0.00 72.50 70.23 2nsw s THR 7 CO 0.15 -0.98 1.79 -0.24 -0.54 0.00 0.00 174.62 174.81 2nsw n SER 8 N 3.84 0.00 -0.04 3.99 2.88 -1.26 -0.61 113.62 122.41 2nsw n SER 8 Ca 0.11 -0.71 -0.15 0.00 -1.33 0.00 0.00 58.87 56.80 2nsw n SER 8 Cb 0.44 -0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.07 0.00 -1.46 4.81 -1.89 -3.37 114.58 112.74 2nsw h GLU 9 Ca 0.00 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 2nsw h GLU 9 Cb 0.01 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2nsw h GLU 9 CO 0.00 0.94 -2.08 -2.37 -0.73 0.00 0.00 179.01 174.77 2nsw n THR 10 N -4.57 0.66 -1.98 0.32 5.66 -1.18 -4.94 114.28 108.25 2nsw n THR 10 Ca -0.10 -0.66 -0.41 0.00 -3.05 0.00 0.00 64.05 59.83 2nsw n THR 10 Cb 0.49 -0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 69.00 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 1.46 0.50 -4.35 0.00 -0.04 -1.26 -4.74 135.00 126.57 2nsw n PRO 12 Ca 0.04 0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.26 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 -2.33 2.45 -0.04 0.54 2.02 -1.26 -5.03 117.35 113.71 2nsw s TYR 13 Ca 0.27 -0.30 0.19 0.00 -0.37 0.00 0.00 57.07 56.87 2nsw s TYR 13 Cb 0.16 -1.25 0.34 0.00 -0.40 0.00 0.00 41.96 40.81 2nsw s TYR 13 CO 0.31 0.45 1.14 0.36 -1.57 0.00 0.00 175.55 176.24 2nsw n LYS 14 N 0.46 0.23 -0.09 -0.62 0.00 -1.26 -4.65 118.16 112.23 2nsw n LYS 14 Ca -0.14 -1.91 -0.17 0.00 -0.00 0.00 0.00 58.31 56.09 2nsw n LYS 14 Cb 0.54 -0.04 -0.07 0.00 -0.00 0.00 0.00 35.03 35.47 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 0.20 1.58 -3.55 -5.58 2.85 -1.26 -5.08 115.26 104.42 2nsw n ASN 15 Ca -0.02 0.15 -0.13 0.00 -0.11 0.00 0.00 54.58 54.46 2nsw n ASN 15 Cb 1.00 -0.46 -0.05 0.00 1.24 0.00 0.00 39.78 41.51 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 -6.37 -0.48 0.25 1.20 -1.08 -1.26 -5.03 116.67 103.90 2nsw s ASP 16 Ca -0.24 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 2nsw s ASP 16 Cb 0.09 0.40 0.30 0.00 -1.46 0.00 0.00 42.92 42.24 2nsw s ASP 16 CO 0.33 -0.46 1.65 -1.28 0.52 0.00 0.00 175.17 175.93 2nsw h SER 17 N 2.71 0.55 -0.28 -0.34 0.87 -1.96 -2.72 113.55 112.38 2nsw h SER 17 Ca -0.22 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.06 2nsw h SER 17 Cb 1.16 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2nsw h SER 17 CO 0.34 0.84 -0.03 -0.61 -0.53 0.00 0.00 176.83 176.85 2nsw h GLN 18 N 0.46 0.63 0.52 2.24 4.15 -1.97 -0.03 115.11 121.11 2nsw h GLN 18 Ca 0.05 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 2nsw h GLN 18 Cb 0.79 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 2nsw h GLN 18 CO 0.06 0.67 -0.34 1.25 -1.93 0.00 0.00 178.83 178.54 2nsw h LEU 19 N 0.59 -0.88 -1.26 -2.39 5.85 -1.89 1.50 115.31 116.83 2nsw h LEU 19 Ca 0.12 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2nsw h LEU 19 Cb 0.42 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 2nsw h LEU 19 CO 0.02 -0.52 0.55 0.00 -0.34 0.00 0.00 178.44 178.15 2nsw h ALA 20 N -1.37 1.67 -0.64 1.25 0.00 -1.48 0.23 119.26 118.92 2nsw h ALA 20 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2nsw h ALA 20 Cb 0.66 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2nsw h ALA 20 CO 0.06 0.16 0.13 2.35 0.00 0.00 0.00 179.25 181.94 2nsw h TRP 21 N 0.83 1.08 0.00 0.00 2.91 -0.50 0.57 115.95 120.85 2nsw h TRP 21 Ca 0.39 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 60.28 2nsw h TRP 21 Cb 0.40 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 2nsw h TRP 21 CO -0.00 0.90 0.00 -3.47 -1.03 0.00 0.00 178.44 174.84 2nsw n ASP 22 N -4.23 0.35 -0.10 2.65 2.03 0.51 0.20 116.55 117.96 2nsw n ASP 22 Ca 0.04 0.60 -0.21 0.00 0.52 0.00 0.00 54.79 55.75 2nsw n ASP 22 Cb 0.27 -0.67 -0.11 0.00 -0.72 0.00 0.00 41.12 39.89 2nsw n ASP 22 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2nsw h THR 23 N 0.00 0.98 0.00 5.18 2.02 0.26 -3.33 112.91 118.02 2nsw h THR 23 Ca 0.00 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.02 2nsw h THR 23 Cb 0.26 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2nsw h THR 23 CO 0.00 0.33 0.00 0.00 0.37 0.00 0.00 175.52 176.22 2nsw n SER 25 N -1.83 5.79 0.00 0.00 3.41 0.13 -3.61 113.62 117.51 2nsw n SER 25 Ca 0.00 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 2nsw n SER 25 Cb 0.00 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 62.51 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 2.65 0.51 0.39 5.00 0.00 -0.92 -4.48 105.19 108.33 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 -0.22 2.94 0.00 -0.02 0.00 -1.24 -4.94 105.19 101.71 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 0.00 0.00 -3.87 2.61 -2.24 -1.26 -4.14 114.28 105.38 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 1.96 1.67 2.36 3.38 0.00 -1.19 -2.99 105.19 110.39 2nsw n GLY 29 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 3.02 7.30 -4.71 1.61 0.23 -1.11 -4.94 115.26 116.66 2nsw n ASN 30 Ca 0.00 -3.79 -0.39 0.00 -0.53 0.00 0.00 54.58 49.87 2nsw n ASN 30 Cb 0.00 -0.90 0.03 0.00 -2.08 0.00 0.00 39.78 36.83 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 0.86 -1.88 0.13 0.00 0.00 -1.26 -4.94 105.19 98.09 2nsw n GLY 32 Ca 0.10 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 45.12 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 0.32 0.00 0.11 2.61 -1.04 -1.26 -3.52 114.28 111.50 2nsw n THR 33 Ca 0.00 -0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.73 2nsw n THR 33 Cb 0.00 -0.03 -0.15 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 1.23 0.00 12.58 2.07 -1.93 -3.13 116.25 127.69 2nsw h VAL 34 Ca 0.00 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.77 2nsw h VAL 34 Cb 0.39 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2nsw h VAL 34 CO 0.00 0.84 0.00 0.00 0.02 0.00 0.00 177.57 178.43 2nsw n GLY 37 N -1.49 6.03 0.95 0.00 0.00 -0.89 -3.28 105.19 106.51 2nsw n GLY 37 Ca -0.10 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.75 0.00 -0.03 1.61 7.27 -1.06 -4.84 117.38 119.59 2nsw n GLN 38 Ca 0.52 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.60 2nsw n GLN 38 Cb 0.71 -0.52 -0.08 0.00 2.41 0.00 0.00 30.24 32.76 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 -2.10 -0.33 -3.92 0.00 3.01 -1.23 -0.86 117.46 112.02 2nsw n PHE 40 Ca -0.09 -2.44 -0.09 0.00 1.01 0.00 0.00 57.45 55.84 2nsw n PHE 40 Cb 0.53 0.14 -0.09 0.00 -0.01 0.00 0.00 39.48 40.05 2nsw n PHE 40 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2nsw s SER 41 N -3.17 0.18 0.74 4.37 0.01 -1.21 -3.46 113.70 111.17 2nsw s SER 41 Ca 0.28 -0.62 -0.16 0.00 1.31 0.00 0.00 55.95 56.76 2nsw s SER 41 Cb 0.01 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.51 2nsw s SER 41 CO 0.20 -0.61 0.79 0.33 0.41 0.00 0.00 173.24 174.36 2nsw n PHE 42 N 0.37 0.04 1.50 2.43 7.35 -1.26 0.17 117.46 128.06 2nsw n PHE 42 Ca -0.17 0.37 0.03 0.00 -0.76 0.00 0.00 57.45 56.93 2nsw n PHE 42 Cb 0.60 -2.01 0.19 0.00 0.35 0.00 0.00 39.48 38.61 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 -1.50 0.75 -0.02 -7.13 -0.04 -1.26 -4.64 135.00 121.16 2nsw n PRO 43 Ca 0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 2nsw n PRO 43 Cb 0.50 -1.13 0.05 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 1.31 0.00 0.52 2.07 -0.66 -2.60 116.25 116.89 2nsw h VAL 44 Ca 0.00 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2nsw h VAL 44 Cb 0.00 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2nsw h VAL 44 CO 0.00 0.54 0.38 -1.28 0.02 0.00 0.00 177.57 177.24 2nsw h SER 45 N 0.49 0.00 0.73 0.57 0.87 -1.28 1.42 113.55 116.35 2nsw h SER 45 Ca 0.02 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.36 2nsw h SER 45 Cb 1.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 2nsw h SER 45 CO 0.10 0.00 -1.39 -0.61 -0.53 0.00 0.00 176.83 174.40 2nsw h GLN 46 N 0.00 0.00 -0.26 2.24 5.75 -1.76 -3.33 115.11 117.76 2nsw h GLN 46 Ca 0.00 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 2nsw h GLN 46 Cb 0.76 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2nsw h GLN 46 CO 0.00 0.50 -0.58 0.77 -2.65 0.00 0.00 178.83 176.87 2nsw h SER 47 N 0.00 0.92 0.00 -0.69 0.02 0.19 -1.60 113.55 112.39 2nsw h SER 47 Ca -0.18 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 2nsw h SER 47 Cb 1.77 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2nsw h SER 47 CO 0.07 1.30 0.00 0.00 -1.14 0.00 0.00 176.83 177.06 2nsw h ALA 49 N -1.65 1.26 0.15 0.00 0.00 -1.66 0.25 119.26 117.60 2nsw h ALA 49 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2nsw h ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nsw h ALA 49 CO 0.00 -0.24 -0.07 0.78 0.00 0.00 0.00 179.25 179.71 2nsw h GLY 50 N 0.00 -0.21 -1.20 0.00 0.00 0.12 -3.27 103.07 98.52 2nsw h GLY 50 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2nsw h GLY 50 CO -0.00 -0.08 0.00 -0.13 0.00 0.00 0.00 176.54 176.33 2nsw n MET 51 N -4.89 1.74 -0.73 4.80 1.56 0.54 -3.95 117.12 116.20 2nsw n MET 51 Ca -0.06 -0.77 -0.14 0.00 -0.27 0.00 0.00 57.70 56.46 2nsw n MET 51 Cb 0.21 -1.43 0.09 0.00 2.15 0.00 0.00 33.22 34.25 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 0.12 4.39 -1.48 -5.12 0.00 0.78 -3.59 120.51 115.62 2nsw n ALA 52 Ca 0.07 -1.67 0.18 0.00 0.00 0.00 0.00 53.44 52.02 2nsw n ALA 52 Cb 0.33 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 -8.31 0.00 0.00 8.00 -1.25 -4.64 116.55 109.99 2nsw n ASP 53 Ca 0.34 1.36 0.00 0.00 0.71 0.00 0.00 54.79 57.20 2nsw n ASP 53 Cb 1.08 -5.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 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 -4.39 0.00 -0.09 -2.24 7.64 -1.26 -4.76 113.62 108.52 2nsw n SER 54 Ca -0.08 0.01 0.03 0.00 1.01 0.00 0.00 58.87 59.84 2nsw n SER 54 Cb 0.70 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.72 0.69 0.16 6.43 5.15 -1.26 -4.47 115.26 120.24 2nsw n ASN 55 Ca 0.00 -0.85 0.03 0.00 -0.60 0.00 0.00 54.58 53.16 2nsw n ASN 55 Cb 0.00 0.68 0.22 0.00 -0.53 0.00 0.00 39.78 40.15 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 0.42 0.00 -4.31 1.20 3.32 -1.93 -3.45 116.42 111.68 2nsw h ASP 56 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2nsw h ASP 56 Cb 0.18 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.84 2nsw h ASP 56 CO 0.00 0.48 0.35 0.00 -1.72 0.00 0.00 179.24 178.35 2nsw n PRO 58 N -3.32 2.28 -3.88 0.00 -0.04 -1.26 -4.86 135.00 123.91 2nsw n PRO 58 Ca 0.07 -1.37 -0.30 0.00 -0.04 0.00 0.00 63.50 61.86 2nsw n PRO 58 Cb 0.55 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 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 6.37 0.00 3.54 -0.87 -1.26 -5.09 114.94 120.27 2nsw s ASN 59 Ca 0.51 0.29 0.00 0.00 -1.57 0.00 0.00 52.86 52.09 2nsw s ASN 59 Cb 0.18 -1.96 0.00 0.00 -0.02 0.00 0.00 41.25 39.44 2nsw s ASN 59 CO -0.03 0.11 0.00 0.00 -2.57 0.00 0.00 177.10 174.61