#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 1.60 -0.09 0.53 -5.35 -1.26 -4.17 119.36 110.62 2nsw n ILE 2 Ca 0.00 -0.63 0.21 0.00 -0.27 0.00 0.00 62.75 62.06 2nsw n ILE 2 Cb 0.00 -1.47 0.65 0.00 -1.74 0.00 0.00 39.64 37.08 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 0.03 0.11 0.00 6.28 4.22 -1.96 1.60 114.58 124.86 2nsw h GLU 3 Ca -0.51 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.93 2nsw h GLU 3 Cb 1.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2nsw h GLU 3 CO -0.01 0.07 0.00 -0.25 -2.18 0.00 0.00 179.01 176.64 2nsw n ASP 4 N -4.38 0.00 -0.08 1.04 9.92 -1.26 -2.21 116.55 119.57 2nsw n ASP 4 Ca 0.13 -0.20 0.02 0.00 -0.53 0.00 0.00 54.79 54.21 2nsw n ASP 4 Cb 0.67 -0.21 0.03 0.00 -0.64 0.00 0.00 41.12 40.97 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 -1.21 0.00 -2.69 1.24 3.72 0.53 -5.06 117.46 113.99 2nsw n PHE 5 Ca 0.12 -0.39 -0.39 0.00 -0.05 0.00 0.00 57.45 56.75 2nsw n PHE 5 Cb 0.15 -0.05 -0.06 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 -0.94 3.72 -0.50 1.38 5.04 -0.20 -2.87 117.35 122.99 2nsw s TYR 6 Ca 0.06 1.80 0.03 0.00 -2.44 0.00 0.00 57.07 56.52 2nsw s TYR 6 Cb 0.05 -3.03 0.14 0.00 0.35 0.00 0.00 41.96 39.47 2nsw s TYR 6 CO 0.01 0.06 0.28 0.95 -1.34 0.00 0.00 175.55 175.51 2nsw s THR 7 N -1.39 1.91 -0.76 4.34 -4.23 0.19 -4.92 115.64 110.77 2nsw s THR 7 Ca 0.47 -3.02 0.13 0.00 -1.18 0.00 0.00 61.69 58.09 2nsw s THR 7 Cb -0.24 -2.32 0.13 0.00 1.34 0.00 0.00 72.50 71.41 2nsw s THR 7 CO 0.30 -0.90 1.41 -0.24 -0.54 0.00 0.00 174.62 174.65 2nsw n SER 8 N 3.17 0.23 -0.03 3.99 2.88 -1.26 0.27 113.62 122.87 2nsw n SER 8 Ca 0.10 0.58 -0.13 0.00 -1.33 0.00 0.00 58.87 58.09 2nsw n SER 8 Cb 0.34 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.10 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 0.14 0.00 -1.46 4.22 -1.91 -3.32 114.58 112.25 2nsw h GLU 9 Ca 0.00 -0.07 -0.30 0.00 0.08 0.00 0.00 59.36 59.07 2nsw h GLU 9 Cb 0.15 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2nsw h GLU 9 CO 0.00 0.55 -1.94 -2.37 -2.18 0.00 0.00 179.01 173.06 2nsw n THR 10 N -4.76 1.43 -1.97 0.32 5.66 -0.94 -4.91 114.28 109.11 2nsw n THR 10 Ca -0.07 -0.80 -0.41 0.00 -3.05 0.00 0.00 64.05 59.72 2nsw n THR 10 Cb 0.27 -0.76 -0.02 0.00 -1.55 0.00 0.00 70.33 68.28 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 1.85 0.17 -4.63 0.00 -0.04 -1.26 -4.70 135.00 126.40 2nsw n PRO 12 Ca 0.05 0.27 -0.34 0.00 -0.04 0.00 0.00 63.50 63.45 2nsw n PRO 12 Cb 0.40 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 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 -3.16 2.91 -0.23 0.54 2.02 -1.26 -5.00 117.35 113.18 2nsw s TYR 13 Ca 0.08 -0.18 0.10 0.00 -0.37 0.00 0.00 57.07 56.70 2nsw s TYR 13 Cb 0.12 -1.78 0.43 0.00 -0.40 0.00 0.00 41.96 40.33 2nsw s TYR 13 CO 0.47 0.14 1.21 0.36 -1.57 0.00 0.00 175.55 176.16 2nsw n LYS 14 N 2.75 2.09 -0.08 -0.62 -0.00 -1.26 -4.73 118.16 116.32 2nsw n LYS 14 Ca -0.18 -3.52 -0.07 0.00 -0.00 0.00 0.00 58.31 54.55 2nsw n LYS 14 Cb 0.53 -1.77 -0.02 0.00 -0.00 0.00 0.00 35.03 33.76 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 -1.00 1.78 -3.51 -5.58 5.15 -1.26 -5.08 115.26 105.75 2nsw n ASN 15 Ca 0.25 0.45 -0.11 0.00 -0.60 0.00 0.00 54.58 54.57 2nsw n ASN 15 Cb 0.77 -0.78 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 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 -5.72 -0.43 0.34 1.20 -1.08 -1.26 -5.01 116.67 104.71 2nsw s ASP 16 Ca -0.22 0.20 0.05 0.00 -0.52 0.00 0.00 52.55 52.07 2nsw s ASP 16 Cb 0.03 0.41 0.63 0.00 -1.46 0.00 0.00 42.92 42.53 2nsw s ASP 16 CO 0.32 -0.59 1.88 0.77 0.52 0.00 0.00 175.17 178.07 2nsw h SER 17 N 2.28 0.46 0.11 -0.34 4.64 -1.94 -1.77 113.55 116.99 2nsw h SER 17 Ca -0.23 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 60.92 2nsw h SER 17 Cb 1.22 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2nsw h SER 17 CO 0.33 0.54 -0.28 1.56 -0.87 0.00 0.00 176.83 178.11 2nsw h GLN 18 N 0.47 0.27 0.44 4.77 4.20 -1.96 0.85 115.11 124.15 2nsw h GLN 18 Ca 0.10 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2nsw h GLN 18 Cb 0.33 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2nsw h GLN 18 CO 0.01 0.53 -0.21 1.25 -0.67 0.00 0.00 178.83 179.74 2nsw h LEU 19 N 0.24 -0.50 -1.65 1.46 5.85 -1.72 0.97 115.31 119.96 2nsw h LEU 19 Ca 0.04 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2nsw h LEU 19 Cb 0.62 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2nsw h LEU 19 CO 0.05 -0.32 0.39 0.00 -0.34 0.00 0.00 178.44 178.21 2nsw h ALA 20 N -1.66 2.01 -0.30 1.25 0.00 -1.50 0.22 119.26 119.28 2nsw h ALA 20 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2nsw h ALA 20 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2nsw h ALA 20 CO 0.10 -0.14 -0.01 2.35 0.00 0.00 0.00 179.25 181.55 2nsw h TRP 21 N 0.40 0.59 0.00 0.00 2.91 -0.63 -1.33 115.95 117.89 2nsw h TRP 21 Ca 0.27 -0.11 -0.02 0.00 1.13 0.00 0.00 58.89 60.16 2nsw h TRP 21 Cb 0.51 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 29.01 2nsw h TRP 21 CO -0.00 0.69 -0.10 0.22 -1.03 0.00 0.00 178.44 178.22 2nsw h ASP 22 N 0.33 0.00 0.27 2.65 3.58 0.34 1.50 116.42 125.09 2nsw h ASP 22 Ca 0.08 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2nsw h ASP 22 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2nsw h ASP 22 CO 0.02 0.10 -0.13 0.74 -2.88 0.00 0.00 179.24 177.09 2nsw h THR 23 N 0.00 0.00 0.00 2.25 2.02 0.10 -3.21 112.91 114.07 2nsw h THR 23 Ca -0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2nsw h THR 23 Cb 0.36 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2nsw h THR 23 CO 0.01 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.78 2nsw n SER 25 N -4.66 5.50 0.00 0.00 3.41 0.51 -4.08 113.62 114.30 2nsw n SER 25 Ca -0.02 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2nsw n SER 25 Cb 0.07 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 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 3.02 4.39 0.36 5.00 0.00 -0.89 -4.18 105.19 112.89 2nsw n GLY 26 Ca 0.47 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 0.84 -0.36 0.00 -0.02 0.00 -1.26 -3.04 105.19 101.35 2nsw n GLY 27 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.03 0.00 0.00 2.61 -2.24 -1.26 -3.79 114.28 105.57 2nsw n THR 28 Ca -0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2nsw n THR 28 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 3.52 1.15 2.77 3.38 0.00 -1.26 -4.15 105.19 110.59 2nsw n GLY 29 Ca 0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 4.30 4.02 -4.72 1.61 0.23 -1.25 -4.89 115.26 114.56 2nsw n ASN 30 Ca 0.00 -3.59 -0.42 0.00 -0.53 0.00 0.00 54.58 50.05 2nsw n ASN 30 Cb 0.00 -0.55 -0.03 0.00 -2.08 0.00 0.00 39.78 37.12 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 2.80 0.26 0.14 0.00 0.00 -1.26 -4.99 105.19 102.13 2nsw n GLY 32 Ca 0.06 -1.05 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 -0.87 0.00 0.08 2.61 -1.04 -1.26 -3.42 114.28 110.37 2nsw n THR 33 Ca 0.04 -0.07 -0.15 0.00 -2.04 0.00 0.00 64.05 61.82 2nsw n THR 33 Cb 0.56 -0.05 -0.14 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.67 1.32 0.00 12.58 2.07 -1.94 -3.12 116.25 127.83 2nsw h VAL 34 Ca 0.00 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.57 2nsw h VAL 34 Cb 0.36 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2nsw h VAL 34 CO 0.00 0.85 0.00 0.00 0.02 0.00 0.00 177.57 178.44 2nsw n GLY 37 N -0.70 3.74 0.20 0.00 0.00 -1.19 -2.18 105.19 105.05 2nsw n GLY 37 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.81 0.00 -0.03 1.61 -0.06 -1.12 -4.85 117.38 113.74 2nsw n GLN 38 Ca 0.27 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.25 2nsw n GLN 38 Cb 0.58 -0.84 -0.05 0.00 -4.06 0.00 0.00 30.24 25.88 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 -0.13 -4.04 0.00 3.01 -0.93 0.53 117.46 113.68 2nsw n PHE 40 Ca -0.09 -2.02 -0.08 0.00 1.01 0.00 0.00 57.45 56.27 2nsw n PHE 40 Cb 0.69 0.07 -0.10 0.00 -0.01 0.00 0.00 39.48 40.13 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 -2.85 0.39 0.77 4.37 0.01 -1.14 -3.46 113.70 111.79 2nsw s SER 41 Ca 0.20 -0.83 -0.15 0.00 1.31 0.00 0.00 55.95 56.48 2nsw s SER 41 Cb 0.01 0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.44 2nsw s SER 41 CO 0.14 -0.54 0.81 0.33 0.41 0.00 0.00 173.24 174.40 2nsw n PHE 42 N 0.46 0.09 1.50 2.43 7.35 -1.26 0.01 117.46 128.04 2nsw n PHE 42 Ca -0.17 0.36 0.03 0.00 -0.76 0.00 0.00 57.45 56.92 2nsw n PHE 42 Cb 0.60 -2.00 0.17 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 -1.79 0.75 -0.05 -7.13 -0.04 -1.26 -4.64 135.00 120.84 2nsw n PRO 43 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2nsw n PRO 43 Cb 0.50 -1.12 0.02 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.82 -2.57 116.25 116.74 2nsw h VAL 44 Ca 0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 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 0.54 0.34 -1.28 0.02 0.00 0.00 177.57 177.20 2nsw h SER 45 N 0.59 0.00 1.02 0.57 0.87 -1.38 1.51 113.55 116.74 2nsw h SER 45 Ca 0.03 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2nsw h SER 45 Cb 1.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 2nsw h SER 45 CO 0.10 0.00 -1.03 -0.61 -0.53 0.00 0.00 176.83 174.76 2nsw h GLN 46 N 0.00 0.00 -0.02 2.24 4.15 -1.75 -3.32 115.11 116.40 2nsw h GLN 46 Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.17 2nsw h GLN 46 Cb 0.69 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.39 2nsw h GLN 46 CO 0.00 0.27 -0.97 0.77 -1.93 0.00 0.00 178.83 176.97 2nsw h SER 47 N 0.00 0.77 0.18 -0.69 0.02 0.21 -2.49 113.55 111.54 2nsw h SER 47 Ca -0.08 -0.60 -0.00 0.00 -0.84 0.00 0.00 61.79 60.27 2nsw h SER 47 Cb 1.39 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2nsw h SER 47 CO 0.04 1.40 -0.26 0.00 -1.14 0.00 0.00 176.83 176.87 2nsw h ALA 49 N -1.22 1.11 0.01 0.00 0.00 -1.67 0.16 119.26 117.66 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2nsw h ALA 49 CO -0.08 -0.11 -0.01 0.78 0.00 0.00 0.00 179.25 179.84 2nsw h GLY 50 N 0.00 -0.02 -2.00 0.00 0.00 -0.20 -3.31 103.07 97.54 2nsw h GLY 50 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2nsw h GLY 50 CO 0.00 -0.01 0.04 -0.13 0.00 0.00 0.00 176.54 176.44 2nsw n MET 51 N -4.74 2.11 -0.96 4.80 1.56 0.59 -4.36 117.12 116.12 2nsw n MET 51 Ca -0.03 -1.03 -0.14 0.00 -0.27 0.00 0.00 57.70 56.23 2nsw n MET 51 Cb 0.16 -1.68 -0.03 0.00 2.15 0.00 0.00 33.22 33.81 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 5.41 -1.19 -5.12 0.00 0.50 -2.09 120.51 118.18 2nsw n ALA 52 Ca 0.11 -1.63 0.14 0.00 0.00 0.00 0.00 53.44 52.05 2nsw n ALA 52 Cb 0.63 -1.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 1.13 -6.35 0.00 0.00 -0.08 -1.17 -4.69 116.55 105.39 2nsw n ASP 53 Ca 0.30 0.73 0.00 0.00 -1.51 0.00 0.00 54.79 54.31 2nsw n ASP 53 Cb 0.62 -3.81 0.00 0.00 2.34 0.00 0.00 41.12 40.27 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 -4.27 0.00 -0.02 1.67 7.64 -1.26 -4.92 113.62 112.47 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 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 0.33 0.00 6.43 5.15 -1.26 -4.44 115.26 121.47 2nsw n ASN 55 Ca 0.00 -0.66 0.11 0.00 -0.60 0.00 0.00 54.58 53.43 2nsw n ASN 55 Cb 0.00 0.94 0.60 0.00 -0.53 0.00 0.00 39.78 40.79 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 -4.87 1.20 9.92 -1.26 -4.75 116.55 115.75 2nsw n ASP 56 Ca 0.01 -0.28 -0.31 0.00 -0.53 0.00 0.00 54.79 53.69 2nsw n ASP 56 Cb 0.09 -0.18 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 2nsw n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nsw n PRO 58 N -1.40 2.26 -2.95 0.00 -0.04 -1.26 -4.87 135.00 126.74 2nsw n PRO 58 Ca 0.03 -1.35 -0.24 0.00 -0.04 0.00 0.00 63.50 61.90 2nsw n PRO 58 Cb 0.54 -2.30 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 2.61 6.00 0.00 3.54 0.01 -1.26 -5.07 114.94 120.77 2nsw s ASN 59 Ca 0.52 0.50 0.00 0.00 -0.71 0.00 0.00 52.86 53.17 2nsw s ASN 59 Cb 0.18 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 40.03 2nsw s ASN 59 CO -0.03 -0.62 0.00 0.00 -1.51 0.00 0.00 177.10 174.94