#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 1.00 -0.06 5.18 -5.35 -1.26 -4.42 119.36 114.45 2nsw n ILE 2 Ca 0.00 -0.48 0.19 0.00 -0.27 0.00 0.00 62.75 62.19 2nsw n ILE 2 Cb 0.00 -0.92 0.64 0.00 -1.74 0.00 0.00 39.64 37.62 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 0.00 0.12 0.00 6.28 9.09 -1.96 1.38 114.58 129.48 2nsw h GLU 3 Ca -0.39 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.01 2nsw h GLU 3 Cb 1.72 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.80 2nsw h GLU 3 CO -0.03 0.08 0.00 -0.25 0.05 0.00 0.00 179.01 178.86 2nsw n ASP 4 N -4.40 0.50 -0.05 3.06 9.92 -1.26 -2.47 116.55 121.85 2nsw n ASP 4 Ca 0.11 0.59 0.06 0.00 -0.53 0.00 0.00 54.79 55.02 2nsw n ASP 4 Cb 0.60 -0.71 0.08 0.00 -0.64 0.00 0.00 41.12 40.46 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 -2.02 0.01 -2.61 1.24 3.01 0.44 -5.03 117.46 112.51 2nsw n PHE 5 Ca 0.04 -0.79 -0.42 0.00 1.01 0.00 0.00 57.45 57.29 2nsw n PHE 5 Cb 0.30 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.62 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 -2.10 3.63 -0.68 1.38 5.04 0.50 -3.57 117.35 121.55 2nsw s TYR 6 Ca 0.19 1.61 -0.00 0.00 -2.44 0.00 0.00 57.07 56.43 2nsw s TYR 6 Cb 0.17 -3.21 0.17 0.00 0.35 0.00 0.00 41.96 39.44 2nsw s TYR 6 CO 0.02 -0.37 0.50 0.95 -1.34 0.00 0.00 175.55 175.31 2nsw s THR 7 N 0.50 3.55 -1.64 4.34 -4.23 0.33 -4.88 115.64 113.62 2nsw s THR 7 Ca 0.52 -3.45 0.18 0.00 -1.18 0.00 0.00 61.69 57.76 2nsw s THR 7 Cb -0.25 -3.30 0.39 0.00 1.34 0.00 0.00 72.50 70.67 2nsw s THR 7 CO 0.30 -0.93 1.51 -0.24 -0.54 0.00 0.00 174.62 174.72 2nsw n SER 8 N 2.91 0.00 0.02 3.99 2.88 -1.26 -0.35 113.62 121.81 2nsw n SER 8 Ca 0.12 -0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.38 2nsw n SER 8 Cb 0.36 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.16 0.00 -1.46 4.22 -1.90 -3.37 114.58 111.92 2nsw h GLU 9 Ca 0.00 0.01 -0.19 0.00 0.08 0.00 0.00 59.36 59.26 2nsw h GLU 9 Cb 0.11 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2nsw h GLU 9 CO 0.00 0.29 -1.62 -2.37 -2.18 0.00 0.00 179.01 173.13 2nsw n THR 10 N -4.86 1.15 -1.96 0.32 5.66 -1.16 -4.90 114.28 108.51 2nsw n THR 10 Ca -0.07 -0.71 -0.41 0.00 -3.05 0.00 0.00 64.05 59.81 2nsw n THR 10 Cb 0.26 -0.66 -0.02 0.00 -1.55 0.00 0.00 70.33 68.36 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 1.83 0.60 -5.10 0.00 -0.04 -1.26 -4.66 135.00 126.38 2nsw n PRO 12 Ca 0.05 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 2nsw n PRO 12 Cb 0.40 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.20 2.61 -0.22 0.54 2.02 -1.26 -5.00 117.35 113.84 2nsw s TYR 13 Ca 0.31 -0.83 0.13 0.00 -0.37 0.00 0.00 57.07 56.31 2nsw s TYR 13 Cb 0.16 -1.72 0.44 0.00 -0.40 0.00 0.00 41.96 40.45 2nsw s TYR 13 CO 0.30 -0.29 1.19 0.36 -1.57 0.00 0.00 175.55 175.54 2nsw n LYS 14 N 3.34 2.11 -0.08 -0.62 -0.00 -1.26 -4.64 118.16 117.00 2nsw n LYS 14 Ca -0.18 -3.46 -0.15 0.00 -0.00 0.00 0.00 58.31 54.51 2nsw n LYS 14 Cb 0.53 -1.65 -0.05 0.00 -0.00 0.00 0.00 35.03 33.86 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 -0.73 1.54 -3.50 -5.58 5.15 -1.26 -5.09 115.26 105.79 2nsw n ASN 15 Ca 0.25 0.26 -0.11 0.00 -0.60 0.00 0.00 54.58 54.38 2nsw n ASN 15 Cb 0.85 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.46 2nsw n ASN 15 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2nsw s ASP 16 N -6.45 -0.44 0.28 1.20 -1.08 -1.26 -5.03 116.67 103.88 2nsw s ASP 16 Ca -0.25 0.17 0.06 0.00 -0.52 0.00 0.00 52.55 52.01 2nsw s ASP 16 Cb 0.08 0.43 0.40 0.00 -1.46 0.00 0.00 42.92 42.37 2nsw s ASP 16 CO 0.34 -0.63 1.66 0.77 0.52 0.00 0.00 175.17 177.83 2nsw h SER 17 N 2.24 0.24 0.45 -0.34 4.64 -1.94 -2.44 113.55 116.40 2nsw h SER 17 Ca -0.24 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 2nsw h SER 17 Cb 1.23 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2nsw h SER 17 CO 0.33 0.68 -0.12 1.56 -0.87 0.00 0.00 176.83 178.41 2nsw h GLN 18 N 0.18 0.00 0.20 4.77 4.20 -1.96 0.54 115.11 123.04 2nsw h GLN 18 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2nsw h GLN 18 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2nsw h GLN 18 CO 0.07 0.12 -0.09 1.25 -0.67 0.00 0.00 178.83 179.50 2nsw h LEU 19 N 0.00 -0.22 -1.62 1.46 5.85 -1.84 1.44 115.31 120.37 2nsw h LEU 19 Ca -0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 2nsw h LEU 19 Cb 0.37 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2nsw h LEU 19 CO 0.02 -0.05 0.45 0.00 -0.34 0.00 0.00 178.44 178.51 2nsw h ALA 20 N -1.66 2.08 -0.08 1.25 0.00 -1.50 0.22 119.26 119.57 2nsw h ALA 20 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2nsw h ALA 20 Cb 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2nsw h ALA 20 CO 0.04 -0.25 -0.79 2.35 0.00 0.00 0.00 179.25 180.61 2nsw h TRP 21 N 0.40 0.94 0.00 0.00 2.91 -0.91 -2.60 115.95 116.69 2nsw h TRP 21 Ca 0.32 -0.46 0.00 0.00 1.13 0.00 0.00 58.89 59.88 2nsw h TRP 21 Cb 0.70 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.23 2nsw h TRP 21 CO -0.00 1.28 0.00 -3.47 -1.03 0.00 0.00 178.44 175.22 2nsw n ASP 22 N -4.01 0.22 -0.05 2.65 2.03 0.49 0.24 116.55 118.13 2nsw n ASP 22 Ca -0.09 0.58 -0.02 0.00 0.52 0.00 0.00 54.79 55.77 2nsw n ASP 22 Cb 0.75 -0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.00 0.00 5.18 2.02 -0.46 -3.33 112.91 116.32 2nsw h THR 23 Ca 0.00 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 2nsw h THR 23 Cb 0.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2nsw h THR 23 CO 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.89 2nsw n SER 25 N -2.73 5.66 0.00 0.00 3.41 0.14 -3.49 113.62 116.61 2nsw n SER 25 Ca -0.00 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 2nsw n SER 25 Cb 0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 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 -0.34 1.03 5.00 0.00 -1.11 -4.40 105.19 108.27 2nsw n GLY 26 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.20 2.79 0.00 -0.02 0.00 -1.23 -4.93 105.19 101.61 2nsw n GLY 27 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.13 2.61 -2.24 -1.26 -4.08 114.28 107.18 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 2.08 1.33 2.42 3.38 0.00 -1.22 -3.18 105.19 109.99 2nsw n GLY 29 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 4.69 6.69 -4.76 1.61 0.23 -1.23 -4.93 115.26 117.56 2nsw n ASN 30 Ca 0.00 -3.78 -0.41 0.00 -0.53 0.00 0.00 54.58 49.85 2nsw n ASN 30 Cb 0.00 -0.80 -0.01 0.00 -2.08 0.00 0.00 39.78 36.89 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 1.41 -1.33 0.09 0.00 0.00 -1.26 -4.96 105.19 99.14 2nsw n GLY 32 Ca 0.05 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 1.02 0.00 0.07 2.61 -1.04 -1.26 -3.45 114.28 112.24 2nsw n THR 33 Ca 0.00 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.05 61.81 2nsw n THR 33 Cb 0.00 -0.06 -0.14 0.00 -1.82 0.00 0.00 70.33 68.32 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 0.46 1.31 0.00 12.58 2.07 -1.93 -3.16 116.25 127.57 2nsw h VAL 34 Ca 0.00 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.58 2nsw h VAL 34 Cb 0.41 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 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 -0.65 3.55 1.07 0.00 0.00 -1.20 -2.66 105.19 105.30 2nsw n GLY 37 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 1.67 0.00 -0.00 1.61 7.27 -1.15 -4.86 117.38 121.92 2nsw n GLN 38 Ca 0.41 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.52 2nsw n GLN 38 Cb 0.73 -0.49 -0.05 0.00 2.41 0.00 0.00 30.24 32.83 2nsw n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nsw s PHE 40 N -2.08 1.63 0.06 0.00 0.08 -1.09 0.12 117.98 116.70 2nsw s PHE 40 Ca 0.01 -1.35 -0.05 0.00 0.12 0.00 0.00 56.93 55.66 2nsw s PHE 40 Cb 0.06 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 2nsw s PHE 40 CO 0.35 -0.49 0.09 -1.12 -0.10 0.00 0.00 175.22 173.95 2nsw s SER 41 N -3.39 0.25 0.74 1.36 0.01 -1.23 -3.57 113.70 107.86 2nsw s SER 41 Ca 0.35 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.73 2nsw s SER 41 Cb 0.05 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.54 2nsw s SER 41 CO 0.17 -0.61 0.81 0.33 0.41 0.00 0.00 173.24 174.35 2nsw n PHE 42 N 0.28 0.12 1.50 2.43 7.35 -1.26 0.14 117.46 128.01 2nsw n PHE 42 Ca -0.16 0.37 0.04 0.00 -0.76 0.00 0.00 57.45 56.94 2nsw n PHE 42 Cb 0.61 -2.01 0.25 0.00 0.35 0.00 0.00 39.48 38.68 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 -1.59 0.75 -0.03 -7.13 -0.04 -1.26 -4.63 135.00 121.06 2nsw n PRO 43 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2nsw n PRO 43 Cb 0.50 -1.18 0.06 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.30 0.00 0.52 2.07 -0.69 -2.50 116.25 116.95 2nsw h VAL 44 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2nsw h VAL 44 Cb 0.00 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2nsw h VAL 44 CO 0.00 0.52 0.33 -1.28 0.02 0.00 0.00 177.57 177.17 2nsw h SER 45 N 0.52 0.00 0.81 0.57 0.87 -1.31 1.47 113.55 116.48 2nsw h SER 45 Ca 0.03 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 2nsw h SER 45 Cb 0.99 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 2nsw h SER 45 CO 0.09 0.00 -1.29 -0.61 -0.53 0.00 0.00 176.83 174.50 2nsw h GLN 46 N 0.00 0.00 -0.04 2.24 5.75 -1.74 -3.33 115.11 117.99 2nsw h GLN 46 Ca 0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 2nsw h GLN 46 Cb 0.67 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.23 2nsw h GLN 46 CO 0.00 0.29 -0.93 1.03 -2.65 0.00 0.00 178.83 176.57 2nsw h SER 47 N 0.00 0.74 0.16 -0.69 0.87 0.20 -2.15 113.55 112.68 2nsw h SER 47 Ca -0.13 -0.56 -0.00 0.00 -1.23 0.00 0.00 61.79 59.86 2nsw h SER 47 Cb 1.52 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2nsw h SER 47 CO 0.04 1.35 -0.20 0.00 -0.53 0.00 0.00 176.83 177.50 2nsw h ALA 49 N -1.37 1.02 0.00 0.00 0.00 -1.67 0.40 119.26 117.64 2nsw h ALA 49 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2nsw h ALA 49 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2nsw h ALA 49 CO -0.04 -0.02 -0.02 0.78 0.00 0.00 0.00 179.25 179.95 2nsw h GLY 50 N 0.00 0.00 -1.17 0.00 0.00 -0.13 -3.30 103.07 98.47 2nsw h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nsw h GLY 50 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.54 176.41 2nsw n MET 51 N -4.66 1.74 -0.79 4.80 1.56 0.55 -4.02 117.12 116.30 2nsw n MET 51 Ca -0.07 -0.79 -0.15 0.00 -0.27 0.00 0.00 57.70 56.41 2nsw n MET 51 Cb 0.34 -1.40 0.07 0.00 2.15 0.00 0.00 33.22 34.38 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 0.13 4.67 -1.30 -5.12 0.00 0.06 -3.54 120.51 115.41 2nsw n ALA 52 Ca 0.07 -1.65 0.15 0.00 0.00 0.00 0.00 53.44 52.01 2nsw n ALA 52 Cb 0.32 -1.32 -0.07 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 -0.05 -6.87 0.00 0.00 8.00 -1.26 -4.70 116.55 111.67 2nsw n ASP 53 Ca 0.32 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.86 2nsw n ASP 53 Cb 0.84 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 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 -4.22 0.00 -0.16 -2.24 7.64 -1.26 -4.77 113.62 108.61 2nsw n SER 54 Ca -0.06 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.90 2nsw n SER 54 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.37 1.13 0.23 6.43 2.85 -1.26 -4.23 115.26 120.04 2nsw n ASN 55 Ca 0.00 -1.06 0.13 0.00 -0.11 0.00 0.00 54.58 53.53 2nsw n ASN 55 Cb 0.00 0.77 0.41 0.00 1.24 0.00 0.00 39.78 42.20 2nsw n ASN 55 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2nsw h ASP 56 N 0.80 0.00 -4.20 1.20 3.32 -1.92 -3.45 116.42 112.17 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 0.45 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.05 2nsw h ASP 56 CO 0.00 0.10 0.38 0.00 -1.72 0.00 0.00 179.24 178.00 2nsw n PRO 58 N -1.91 2.27 -2.97 0.00 -0.04 -1.26 -4.87 135.00 126.21 2nsw n PRO 58 Ca 0.08 -1.36 -0.22 0.00 -0.04 0.00 0.00 63.50 61.95 2nsw n PRO 58 Cb 0.53 -2.31 0.01 0.00 -0.04 0.00 0.00 33.50 31.70 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 2.62 5.78 0.00 3.54 -0.87 -1.26 -5.08 114.94 119.67 2nsw s ASN 59 Ca 0.52 0.23 0.00 0.00 -1.57 0.00 0.00 52.86 52.04 2nsw s ASN 59 Cb 0.18 -1.45 0.00 0.00 -0.02 0.00 0.00 41.25 39.96 2nsw s ASN 59 CO -0.03 -0.73 0.00 0.00 -2.57 0.00 0.00 177.10 173.77