#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk s TYR 3 N 0.00 3.05 0.54 1.57 2.02 -1.26 -5.10 117.35 118.17 3abk s TYR 3 Ca 0.00 -0.07 -0.21 0.00 -0.37 0.00 0.00 57.07 56.42 3abk s TYR 3 Cb 0.00 -1.45 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 3abk s TYR 3 CO 0.00 0.52 1.21 -1.21 -1.57 0.00 0.00 175.55 174.51 3abk s GLU 4 N -3.22 3.27 0.11 -0.62 0.41 -1.26 -5.04 118.70 112.34 3abk s GLU 4 Ca 0.30 1.86 0.03 0.00 -0.41 0.00 0.00 54.97 56.75 3abk s GLU 4 Cb -0.09 -2.13 -0.04 0.00 -1.78 0.00 0.00 34.13 30.09 3abk s GLU 4 CO 0.22 -0.97 -0.08 -1.21 -0.49 0.00 0.00 175.26 172.73 3abk s GLU 5 N -3.07 0.88 0.00 1.61 2.02 -1.26 -4.67 118.70 114.21 3abk s GLU 5 Ca 0.72 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 54.42 3abk s GLU 5 Cb -0.31 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.52 3abk s GLU 5 CO 0.35 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3abk n GLY 6 N 0.14 1.69 3.67 -1.39 0.00 -1.26 -4.71 105.19 103.33 3abk n GLY 6 Ca -0.13 -2.05 -0.46 0.00 0.00 0.00 0.00 46.02 43.38 3abk n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3abk n PRO 7 N 1.07 2.09 -0.77 1.61 -0.02 -1.26 -0.41 135.00 137.32 3abk n PRO 7 Ca 0.00 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3abk n PRO 7 Cb 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 3abk n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3abk n GLY 8 N 3.25 1.11 0.01 -1.23 0.00 -1.26 -4.83 105.19 102.23 3abk n GLY 8 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3abk n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3abk n LYS 9 N -2.00 0.86 -1.57 1.61 4.76 0.46 -4.58 118.16 117.69 3abk n LYS 9 Ca 0.00 -0.10 -0.36 0.00 -2.87 0.00 0.00 58.31 54.98 3abk n LYS 9 Cb 0.00 -1.30 0.06 0.00 -1.84 0.00 0.00 35.03 31.95 3abk n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3abk n ASN 10 N -1.86 7.46 -3.88 4.39 6.94 -1.21 -4.64 115.26 122.46 3abk n ASN 10 Ca -0.01 -3.80 -0.11 0.00 -0.02 0.00 0.00 54.58 50.64 3abk n ASN 10 Cb 0.34 -0.96 -0.10 0.00 -2.36 0.00 0.00 39.78 36.70 3abk n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3abk s ILE 11 N -4.91 0.10 -2.05 1.53 -4.36 -1.26 -5.04 121.20 105.21 3abk s ILE 11 Ca 0.60 -0.80 0.13 0.00 -0.26 0.00 0.00 60.65 60.33 3abk s ILE 11 Cb 0.48 -0.56 0.36 0.00 1.25 0.00 0.00 42.46 43.99 3abk s ILE 11 CO -0.13 -0.44 1.46 -0.81 0.24 0.00 0.00 174.94 175.25 3abk n PRO 12 N 1.25 1.20 -4.25 0.37 -0.04 -1.26 -4.77 135.00 127.50 3abk n PRO 12 Ca -0.22 -0.31 -0.21 0.00 -0.04 0.00 0.00 63.50 62.72 3abk n PRO 12 Cb 0.56 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 3abk n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3abk s PHE 13 N -1.92 1.52 0.15 0.54 -0.12 -1.26 -5.15 117.98 111.74 3abk s PHE 13 Ca 0.21 -0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 56.36 3abk s PHE 13 Cb 0.10 -0.84 -0.07 0.00 -0.63 0.00 0.00 43.02 41.58 3abk s PHE 13 CO 0.16 0.13 0.94 0.45 -0.05 0.00 0.00 175.22 176.86 3abk s SER 14 N -1.77 7.53 -0.26 1.98 0.15 -1.26 -4.97 113.70 115.10 3abk s SER 14 Ca 0.03 1.83 0.10 0.00 0.70 0.00 0.00 55.95 58.61 3abk s SER 14 Cb -0.10 -2.59 0.48 0.00 -1.71 0.00 0.00 66.02 62.11 3abk s SER 14 CO 0.03 0.01 1.41 1.33 1.20 0.00 0.00 173.24 177.22 3abk n VAL 15 N 2.36 2.44 0.01 4.45 0.24 -1.26 -4.61 118.33 121.96 3abk n VAL 15 Ca 0.01 -2.72 -0.12 0.00 -2.04 0.00 0.00 64.34 59.47 3abk n VAL 15 Cb 0.49 -0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 3abk n VAL 15 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3abk h GLU 16 N 1.03 0.06 -5.03 7.34 4.57 -1.93 -3.40 114.58 117.22 3abk h GLU 16 Ca 0.15 -0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.66 3abk h GLU 16 Cb 1.50 -0.01 -0.35 0.00 -0.16 0.00 0.00 28.75 29.74 3abk h GLU 16 CO 0.29 0.18 -0.84 1.21 -1.18 0.00 0.00 179.01 178.68 3abk s ASN 17 N -5.38 3.42 0.62 1.04 3.84 -1.26 -5.03 114.94 112.19 3abk s ASN 17 Ca -0.14 -0.74 0.31 0.00 0.21 0.00 0.00 52.86 52.50 3abk s ASN 17 Cb 0.05 -1.51 1.69 0.00 -0.55 0.00 0.00 41.25 40.93 3abk s ASN 17 CO 0.67 -0.03 2.02 0.07 -2.79 0.00 0.00 177.10 177.04 3abk h LYS 18 N 7.93 0.00 0.11 0.43 2.10 -1.95 -0.58 116.57 124.61 3abk h LYS 18 Ca -0.42 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.92 3abk h LYS 18 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 3abk h LYS 18 CO 0.61 0.00 -1.67 -1.49 -2.00 0.00 0.00 179.45 174.90 3abk h TRP 19 N 0.00 0.44 -0.41 0.07 4.06 -1.98 -2.03 115.95 116.10 3abk h TRP 19 Ca 0.08 -0.32 0.04 0.00 2.06 0.00 0.00 58.89 60.75 3abk h TRP 19 Cb 0.66 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.76 3abk h TRP 19 CO 0.00 1.66 0.17 -0.09 -3.56 0.00 0.00 178.44 176.61 3abk h ARG 20 N -0.19 0.33 -0.52 0.49 2.43 -1.92 -2.09 114.38 112.91 3abk h ARG 20 Ca -0.36 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 58.88 3abk h ARG 20 Cb 1.86 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 31.25 3abk h ARG 20 CO 0.05 0.22 0.07 1.25 -1.51 0.00 0.00 179.97 180.06 3abk h LEU 21 N 0.34 -0.07 -0.55 3.80 5.85 -1.19 0.99 115.31 124.48 3abk h LEU 21 Ca 0.19 0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.02 3abk h LEU 21 Cb 0.15 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3abk h LEU 21 CO -0.17 -0.01 0.37 0.25 -0.34 0.00 0.00 178.44 178.53 3abk h LEU 22 N 0.20 0.63 -0.59 2.25 5.85 -1.20 0.48 115.31 122.94 3abk h LEU 22 Ca 0.27 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3abk h LEU 22 Cb 0.38 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3abk h LEU 22 CO -0.37 0.46 0.36 0.00 -0.34 0.00 0.00 178.44 178.54 3abk h ALA 23 N 1.20 0.76 -0.10 1.25 0.00 -0.63 -0.48 119.26 121.25 3abk h ALA 23 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3abk h ALA 23 Cb -0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3abk h ALA 23 CO -0.04 0.24 0.00 0.52 0.00 0.00 0.00 179.25 179.97 3abk h MET 24 N 0.80 0.18 0.00 0.00 2.86 0.03 -1.45 114.93 117.35 3abk h MET 24 Ca 0.21 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3abk h MET 24 Cb -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 3abk h MET 24 CO -0.04 0.43 -0.13 0.52 1.06 0.00 0.00 176.91 178.75 3abk h MET 25 N -0.10 0.00 0.15 1.72 2.07 0.07 0.18 114.93 119.02 3abk h MET 25 Ca 0.03 0.00 -0.28 0.00 -2.07 0.00 0.00 59.70 57.38 3abk h MET 25 Cb 0.35 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.09 3abk h MET 25 CO 0.01 0.13 -1.39 0.00 1.07 0.00 0.00 176.91 176.72 3abk h THR 26 N 0.00 1.11 -0.97 2.22 1.03 -0.88 -1.38 112.91 114.03 3abk h THR 26 Ca -0.00 -2.47 0.15 0.00 -0.01 0.00 0.00 66.41 64.08 3abk h THR 26 Cb 0.31 2.83 -0.09 0.00 -1.07 0.00 0.00 68.15 70.12 3abk h THR 26 CO 0.02 0.75 0.59 -0.07 -0.01 0.00 0.00 175.52 176.79 3abk h LEU 27 N -0.20 0.81 0.00 0.00 3.38 -1.02 0.09 115.31 118.37 3abk h LEU 27 Ca -0.28 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3abk h LEU 27 Cb 1.84 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3abk h LEU 27 CO 0.11 0.37 0.00 0.33 0.09 0.00 0.00 178.44 179.35 3abk n PHE 28 N -4.71 0.00 -0.37 1.13 7.35 0.61 -1.72 117.46 119.75 3abk n PHE 28 Ca 0.20 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.91 3abk n PHE 28 Cb 0.44 -0.31 0.16 0.00 0.35 0.00 0.00 39.48 40.12 3abk n PHE 28 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3abk h PHE 29 N 0.00 1.20 -0.34 -5.13 -1.00 -1.39 -2.97 116.94 107.32 3abk h PHE 29 Ca 0.00 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 3abk h PHE 29 Cb 0.00 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.15 3abk h PHE 29 CO 0.09 0.65 -0.02 0.78 -1.61 0.00 0.00 178.31 178.20 3abk h GLY 30 N 1.20 0.58 1.35 -1.45 0.00 -1.04 -1.21 103.07 102.48 3abk h GLY 30 Ca 0.42 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3abk h GLY 30 CO -0.16 0.33 0.09 1.48 0.00 0.00 0.00 176.54 178.27 3abk h SER 31 N 0.51 0.77 -0.09 0.19 4.64 -1.17 0.16 113.55 118.56 3abk h SER 31 Ca 0.11 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3abk h SER 31 Cb 0.36 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3abk h SER 31 CO 0.01 0.78 -0.05 1.23 -0.87 0.00 0.00 176.83 177.93 3abk h GLY 32 N 0.97 0.22 1.04 -0.77 0.00 -1.37 -2.50 103.07 100.66 3abk h GLY 32 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3abk h GLY 32 CO 0.01 0.19 0.23 -2.75 0.00 0.00 0.00 176.54 174.21 3abk h PHE 33 N -0.17 1.14 -0.50 5.60 3.57 -1.14 -3.10 116.94 122.33 3abk h PHE 33 Ca 0.02 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 3abk h PHE 33 Cb 0.52 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3abk h PHE 33 CO 0.07 0.90 0.02 0.00 -2.23 0.00 0.00 178.31 177.07 3abk h ALA 34 N 1.11 1.08 -0.30 2.41 0.00 -0.67 -3.37 119.26 119.52 3abk h ALA 34 Ca 0.23 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3abk h ALA 34 Cb 0.29 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3abk h ALA 34 CO -0.01 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.82 3abk h ALA 35 N 1.24 0.27 -0.63 0.00 0.00 -1.36 -1.40 119.26 117.38 3abk h ALA 35 Ca 0.15 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.24 3abk h ALA 35 Cb 0.45 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3abk h ALA 35 CO 0.02 -0.41 0.42 -1.35 0.00 0.00 0.00 179.25 177.93 3abk h PRO 36 N 0.08 0.49 -0.63 0.00 0.11 -1.74 -0.87 132.00 129.45 3abk h PRO 36 Ca 0.15 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 3abk h PRO 36 Cb 0.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3abk h PRO 36 CO -0.25 0.33 0.03 0.74 -0.21 0.00 0.00 178.00 178.64 3abk h PHE 37 N 0.51 1.18 -0.11 0.65 -1.00 -1.49 -1.69 116.94 114.99 3abk h PHE 37 Ca 0.28 -0.19 -0.15 0.00 2.81 0.00 0.00 57.97 60.72 3abk h PHE 37 Cb 0.45 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 3abk h PHE 37 CO -0.00 1.02 -0.59 0.74 -1.61 0.00 0.00 178.31 177.87 3abk h PHE 38 N 1.00 0.45 -0.23 -0.55 -1.00 -1.06 -1.70 116.94 113.85 3abk h PHE 38 Ca 0.18 -0.17 0.02 0.00 2.81 0.00 0.00 57.97 60.81 3abk h PHE 38 Cb 0.53 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 3abk h PHE 38 CO 0.04 0.85 0.10 0.82 -1.61 0.00 0.00 178.31 178.52 3abk h ILE 39 N 0.27 0.98 -0.28 -0.55 2.04 -1.11 0.13 117.51 118.99 3abk h ILE 39 Ca -0.00 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3abk h ILE 39 Cb 1.10 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 3abk h ILE 39 CO 0.10 0.04 -0.10 0.58 0.00 0.00 0.00 178.15 178.76 3abk h VAL 40 N 0.23 0.65 -0.59 1.67 2.07 -1.25 -0.08 116.25 118.94 3abk h VAL 40 Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3abk h VAL 40 Cb 0.04 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3abk h VAL 40 CO -0.08 0.00 0.38 -0.09 0.02 0.00 0.00 177.57 177.80 3abk h ARG 41 N -0.05 0.73 -0.71 1.57 2.43 -1.16 0.27 114.38 117.45 3abk h ARG 41 Ca 0.14 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3abk h ARG 41 Cb 0.27 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 3abk h ARG 41 CO -0.31 0.48 0.34 1.25 -1.51 0.00 0.00 179.97 180.22 3abk h HIS 42 N 0.75 0.60 -0.05 2.20 2.76 -0.18 -1.40 115.15 119.82 3abk h HIS 42 Ca 0.23 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3abk h HIS 42 Cb -0.03 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.77 3abk h HIS 42 CO -0.05 0.19 -0.20 1.96 -1.30 0.00 0.00 177.93 178.53 3abk h GLN 43 N 0.56 0.23 -0.86 5.26 1.08 0.28 -2.82 115.11 118.83 3abk h GLN 43 Ca 0.36 -0.18 0.09 0.00 -1.45 0.00 0.00 58.65 57.48 3abk h GLN 43 Cb 0.43 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.82 3abk h GLN 43 CO -0.30 0.82 0.51 -0.07 -0.95 0.00 0.00 178.83 178.84 3abk h LEU 44 N -0.32 0.75 -2.11 1.46 3.38 -0.42 -2.39 115.31 115.66 3abk h LEU 44 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3abk h LEU 44 Cb 0.85 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3abk h LEU 44 CO 0.04 0.43 0.00 -0.07 0.09 0.00 0.00 178.44 178.94 3abk h LEU 45 N 0.86 0.00 -0.37 1.67 3.38 -1.17 -3.31 115.31 116.37 3abk h LEU 45 Ca 0.41 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.19 3abk h LEU 45 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3abk h LEU 45 CO -0.23 0.00 -0.80 0.11 0.09 0.00 0.00 178.44 177.60 3abk h LYS 46 N 0.00 0.26 0.00 1.13 1.57 -1.17 -3.51 116.57 114.85 3abk h LYS 46 Ca 0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3abk h LYS 46 Cb 0.28 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3abk h LYS 46 CO 0.00 0.93 0.00 1.63 -0.57 0.00 0.00 179.45 181.44