#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n PRO 7 N 0.00 0.00 -2.28 0.00 -0.01 -1.26 -5.00 135.00 126.45 3abk n PRO 7 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 63.50 63.23 3abk n PRO 7 Cb 0.00 -1.17 0.11 0.00 -0.01 0.00 0.00 33.50 32.43 3abk n PRO 7 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 175.50 175.65 3abk s ASP 8 N 0.58 4.23 0.15 2.55 3.84 -1.26 -4.88 116.67 121.89 3abk s ASP 8 Ca 0.74 0.10 -0.07 0.00 -0.00 0.00 0.00 52.55 53.32 3abk s ASP 8 Cb -1.04 -0.51 0.21 0.00 -1.38 0.00 0.00 42.92 40.20 3abk s ASP 8 CO 0.49 -1.96 0.89 0.33 -0.00 0.00 0.00 175.17 174.92 3abk n PHE 9 N -3.08 0.13 -0.18 2.11 7.35 -1.26 -1.39 117.46 121.13 3abk n PHE 9 Ca 0.12 0.70 -0.11 0.00 -0.76 0.00 0.00 57.45 57.41 3abk n PHE 9 Cb 0.60 -0.78 0.01 0.00 0.35 0.00 0.00 39.48 39.65 3abk n PHE 9 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3abk h HIS 10 N 0.00 1.14 -0.69 -5.13 -0.00 -1.95 0.18 115.15 108.70 3abk h HIS 10 Ca 0.24 -0.25 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 3abk h HIS 10 Cb 0.39 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 3abk h HIS 10 CO -0.47 1.07 0.39 -0.44 -0.00 0.00 0.00 177.93 178.48 3abk h ASP 11 N 0.88 0.85 -0.01 2.45 3.32 -1.62 -0.24 116.42 122.05 3abk h ASP 11 Ca 0.13 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3abk h ASP 11 Cb 0.70 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3abk h ASP 11 CO 0.05 0.69 -0.18 0.11 -1.72 0.00 0.00 179.24 178.19 3abk h LYS 12 N 0.94 0.14 -0.00 3.56 1.57 -0.89 -3.41 116.57 118.48 3abk h LYS 12 Ca 0.24 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3abk h LYS 12 Cb 0.02 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3abk h LYS 12 CO -0.04 0.85 -0.16 0.66 -0.57 0.00 0.00 179.45 180.19 3abk n TYR 13 N -4.57 0.00 0.06 -1.35 4.01 0.60 -4.76 117.16 111.14 3abk n TYR 13 Ca -0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.49 3abk n TYR 13 Cb 0.45 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.39 3abk n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3abk h GLY 14 N 1.24 -1.08 0.57 2.72 0.00 -1.14 0.20 103.07 105.58 3abk h GLY 14 Ca 0.00 0.64 0.09 0.00 0.00 0.00 0.00 47.33 48.06 3abk h GLY 14 CO 0.00 -0.24 0.51 3.43 0.00 0.00 0.00 176.54 180.24 3abk h ASN 15 N -0.67 0.76 -0.34 0.19 2.35 -1.86 0.23 115.58 116.24 3abk h ASN 15 Ca 0.02 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3abk h ASN 15 Cb 0.72 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3abk h ASN 15 CO -0.35 0.45 -0.02 0.00 -1.65 0.00 0.00 177.43 175.86 3abk h ALA 16 N 1.45 0.46 -0.36 -0.83 0.00 -1.79 -1.65 119.26 116.55 3abk h ALA 16 Ca 0.41 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3abk h ALA 16 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3abk h ALA 16 CO -0.23 0.24 -0.17 0.28 0.00 0.00 0.00 179.25 179.37 3abk h VAL 17 N 0.42 1.28 -0.66 0.00 2.07 -0.05 -0.74 116.25 118.57 3abk h VAL 17 Ca 0.09 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 3abk h VAL 17 Cb 0.48 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3abk h VAL 17 CO 0.02 0.42 0.40 0.25 0.02 0.00 0.00 177.57 178.69 3abk h LEU 18 N 0.54 0.78 0.18 2.57 5.85 -0.94 -1.48 115.31 122.81 3abk h LEU 18 Ca 0.08 -0.06 -0.30 0.00 0.84 0.00 0.00 57.88 58.44 3abk h LEU 18 Cb 0.71 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.56 3abk h LEU 18 CO 0.05 0.61 -1.34 0.00 -0.34 0.00 0.00 178.44 177.42 3abk h ALA 19 N 1.21 -0.02 0.09 1.25 0.00 -1.17 -2.43 119.26 118.18 3abk h ALA 19 Ca 0.24 -0.87 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 3abk h ALA 19 Cb -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3abk h ALA 19 CO -0.05 0.84 -1.29 0.66 0.00 0.00 0.00 179.25 179.42 3abk h SER 20 N 0.11 0.28 0.14 0.00 4.64 -1.15 -2.14 113.55 115.44 3abk h SER 20 Ca -0.19 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 60.81 3abk h SER 20 Cb 2.05 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 64.02 3abk h SER 20 CO 0.24 1.27 -0.22 1.23 -0.87 0.00 0.00 176.83 178.47 3abk h GLY 21 N 2.08 -0.43 0.70 -0.77 0.00 -1.36 0.26 103.07 103.56 3abk h GLY 21 Ca -0.14 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3abk h GLY 21 CO 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 176.54 176.43 3abk h ALA 22 N 0.33 -0.01 -0.40 3.60 0.00 -1.49 0.17 119.26 121.45 3abk h ALA 22 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3abk h ALA 22 Cb 0.44 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3abk h ALA 22 CO -0.11 -0.54 0.08 1.15 0.00 0.00 0.00 179.25 179.83 3abk h THR 23 N -0.10 0.79 0.05 0.00 2.02 -1.37 -0.12 112.91 114.17 3abk h THR 23 Ca 0.06 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3abk h THR 23 Cb 0.18 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3abk h THR 23 CO -0.14 0.04 -0.02 0.15 0.37 0.00 0.00 175.52 175.92 3abk h PHE 24 N 0.21 -0.06 -0.00 3.16 3.57 -0.17 -1.20 116.94 122.45 3abk h PHE 24 Ca 0.20 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3abk h PHE 24 Cb 0.24 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3abk h PHE 24 CO -0.20 0.05 -0.10 0.00 -2.23 0.00 0.00 178.31 175.83 3abk h VAL 26 N -0.17 0.94 -0.29 0.00 2.07 -0.97 -2.70 116.25 115.14 3abk h VAL 26 Ca 0.04 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3abk h VAL 26 Cb 0.22 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3abk h VAL 26 CO -0.10 0.12 0.16 0.00 0.02 0.00 0.00 177.57 177.77 3abk h ALA 27 N 1.37 0.38 0.00 1.67 0.00 -0.35 -1.54 119.26 120.78 3abk h ALA 27 Ca 0.31 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3abk h ALA 27 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3abk h ALA 27 CO -0.20 -0.09 -0.72 -0.24 0.00 0.00 0.00 179.25 178.01 3abk h VAL 28 N 0.35 1.25 -0.02 0.00 3.04 -1.21 -1.57 116.25 118.10 3abk h VAL 28 Ca 0.10 -2.71 -0.26 0.00 -1.01 0.00 0.00 66.70 62.83 3abk h VAL 28 Cb 0.08 2.58 0.02 0.00 -2.01 0.00 0.00 31.29 31.95 3abk h VAL 28 CO -0.02 0.70 -1.00 -0.50 -1.01 0.00 0.00 177.57 175.74 3abk h TRP 29 N 0.00 1.00 -0.42 3.17 4.06 -1.40 0.32 115.95 122.67 3abk h TRP 29 Ca -0.01 -0.53 -0.07 0.00 2.06 0.00 0.00 58.89 60.35 3abk h TRP 29 Cb 1.52 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 29.55 3abk h TRP 29 CO 0.00 1.36 0.00 0.28 -3.56 0.00 0.00 178.44 176.53 3abk h VAL 30 N 0.39 1.26 0.11 1.49 2.07 -1.21 -1.08 116.25 119.28 3abk h VAL 30 Ca -0.11 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3abk h VAL 30 Cb 1.65 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3abk h VAL 30 CO 0.19 0.35 -0.05 0.22 0.02 0.00 0.00 177.57 178.30 3abk h TYR 31 N 0.58 -0.14 -0.91 1.57 5.03 -1.17 -1.44 116.97 120.49 3abk h TYR 31 Ca 0.12 -0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.59 3abk h TYR 31 Cb 0.48 0.04 -0.10 0.00 1.55 0.00 0.00 36.73 38.70 3abk h TYR 31 CO 0.04 0.02 0.50 1.98 -1.32 0.00 0.00 178.16 179.37 3abk h MET 32 N -0.26 0.65 0.00 1.82 4.05 -0.90 0.31 114.93 120.60 3abk h MET 32 Ca -0.01 -0.04 -0.19 0.00 -0.28 0.00 0.00 59.70 59.18 3abk h MET 32 Cb 0.21 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 3abk h MET 32 CO 0.02 0.43 -0.88 0.00 0.23 0.00 0.00 176.91 176.71 3abk h ALA 33 N 1.59 0.48 0.00 0.39 0.00 -0.90 -3.38 119.26 117.44 3abk h ALA 33 Ca 0.50 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3abk h ALA 33 Cb 0.74 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3abk h ALA 33 CO -0.37 1.10 -1.43 0.25 0.00 0.00 0.00 179.25 178.81 3abk n THR 34 N -3.40 0.01 -0.00 0.00 -2.24 -0.57 -4.74 114.28 103.33 3abk n THR 34 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3abk n THR 34 Cb 0.87 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3abk n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3abk n GLN 35 N -1.83 0.24 -0.03 -0.78 1.13 0.08 -4.67 117.38 111.52 3abk n GLN 35 Ca -0.02 -0.81 0.02 0.00 -1.94 0.00 0.00 57.00 54.25 3abk n GLN 35 Cb 0.25 -1.00 0.02 0.00 0.11 0.00 0.00 30.24 29.62 3abk n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3abk n ILE 36 N -0.15 0.96 -0.40 5.09 -5.35 -1.25 -4.99 119.36 113.26 3abk n ILE 36 Ca 0.00 -1.02 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 3abk n ILE 36 Cb 0.08 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 3abk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3abk n GLY 37 N -0.56 0.80 3.75 3.28 0.00 -1.26 -5.04 105.19 106.16 3abk n GLY 37 Ca 0.03 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3abk n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abk s ILE 38 N -2.00 3.57 -0.36 -0.61 1.01 -1.26 -4.99 121.20 116.55 3abk s ILE 38 Ca 0.00 1.41 -0.11 0.00 0.00 0.00 0.00 60.65 61.95 3abk s ILE 38 Cb 0.00 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.60 3abk s ILE 38 CO 0.00 0.27 0.20 -0.70 0.00 0.00 0.00 174.94 174.70 3abk s GLU 39 N -0.71 2.89 0.27 2.79 2.56 -1.26 -4.92 118.70 120.32 3abk s GLU 39 Ca 0.49 -1.04 0.18 0.00 0.00 0.00 0.00 54.97 54.61 3abk s GLU 39 Cb -0.32 -3.70 0.09 0.00 2.00 0.00 0.00 34.13 32.20 3abk s GLU 39 CO 0.38 -0.66 1.34 -1.49 -0.56 0.00 0.00 175.26 174.27 3abk h TRP 40 N 8.42 0.00 -5.72 5.30 4.06 -1.95 -3.48 115.95 122.57 3abk h TRP 40 Ca -0.26 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.41 3abk h TRP 40 Cb 1.11 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 29.40 3abk h TRP 40 CO 0.58 0.34 -0.77 -1.71 -3.56 0.00 0.00 178.44 173.33 3abk n ASN 41 N -3.08 -6.37 -3.99 -3.49 5.15 -1.26 -4.98 115.26 97.24 3abk n ASN 41 Ca 0.00 -0.72 -0.30 0.00 -0.60 0.00 0.00 54.58 52.96 3abk n ASN 41 Cb 0.69 -4.54 0.20 0.00 -0.53 0.00 0.00 39.78 35.60 3abk n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3abk s PRO 42 N -4.69 0.40 0.39 1.20 0.04 -1.26 -4.96 135.00 126.11 3abk s PRO 42 Ca 0.38 -0.50 -0.27 0.00 0.04 0.00 0.00 61.00 60.65 3abk s PRO 42 Cb -0.08 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 3abk s PRO 42 CO 0.78 -2.57 1.38 0.45 0.04 0.00 0.00 177.00 177.09 3abk n SER 43 N -3.85 3.19 0.23 6.66 2.88 -1.26 -4.89 113.62 116.58 3abk n SER 43 Ca 0.16 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 59.00 3abk n SER 43 Cb 0.59 -1.56 0.46 0.00 -0.75 0.00 0.00 64.21 62.96 3abk n SER 43 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3abk h PRO 44 N 2.55 0.00 -6.29 -1.46 0.11 -1.97 -3.44 132.00 121.50 3abk h PRO 44 Ca -0.49 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.95 3abk h PRO 44 Cb 1.27 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.43 3abk h PRO 44 CO 0.62 0.15 0.62 0.28 -0.21 0.00 0.00 178.00 179.46 3abk n VAL 45 N -3.26 0.08 -0.91 3.15 0.31 -1.26 0.44 118.33 116.88 3abk n VAL 45 Ca 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3abk n VAL 45 Cb 0.43 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3abk n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3abk n GLY 46 N 3.03 0.72 0.00 2.92 0.00 -1.26 -4.71 105.19 105.89 3abk n GLY 46 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3abk n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3abk n ARG 47 N -2.02 3.48 -4.36 1.61 0.63 0.17 -5.06 116.66 111.10 3abk n ARG 47 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 3abk n ARG 47 Cb 0.02 -0.62 -0.10 0.00 0.45 0.00 0.00 32.46 32.20 3abk n ARG 47 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3abk s VAL 48 N -0.71 4.23 -0.33 5.15 1.01 0.02 -5.06 120.40 124.71 3abk s VAL 48 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 3abk s VAL 48 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3abk s VAL 48 CO 0.00 0.57 0.71 -0.89 0.00 0.00 0.00 175.10 175.49 3abk s THR 49 N -0.52 4.84 0.44 3.92 2.01 -1.26 -4.92 115.64 120.14 3abk s THR 49 Ca 0.09 0.91 -0.26 0.00 0.31 0.00 0.00 61.69 62.74 3abk s THR 49 Cb -0.12 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 3abk s THR 49 CO 0.02 -0.27 1.44 -2.65 -0.69 0.00 0.00 174.62 172.47 3abk n PRO 50 N 6.13 2.32 -4.11 4.92 -0.02 -1.26 -5.03 135.00 137.95 3abk n PRO 50 Ca 0.01 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.17 3abk n PRO 50 Cb 0.48 -2.63 -0.11 0.00 -0.02 0.00 0.00 33.50 31.22 3abk n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3abk s LYS 51 N -2.37 0.66 0.40 -0.52 2.20 -1.26 -5.11 119.74 113.75 3abk s LYS 51 Ca 0.60 -0.88 -0.27 0.00 -0.36 0.00 0.00 55.97 55.06 3abk s LYS 51 Cb -0.46 -0.49 -0.10 0.00 -1.51 0.00 0.00 37.83 35.28 3abk s LYS 51 CO 0.59 0.09 1.44 -1.21 -0.36 0.00 0.00 175.35 175.90 3abk s GLU 52 N -1.81 3.99 0.00 4.03 0.41 -1.26 -4.89 118.70 119.17 3abk s GLU 52 Ca -0.05 2.47 0.00 0.00 -0.41 0.00 0.00 54.97 56.98 3abk s GLU 52 Cb -0.09 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.39 3abk s GLU 52 CO 0.01 -0.59 0.00 -2.67 -0.49 0.00 0.00 175.26 171.52 3abk n TRP 53 N 0.27 0.00 0.98 1.61 4.27 -1.26 -5.33 117.44 117.98 3abk n TRP 53 Ca 0.02 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.71 3abk n TRP 53 Cb 0.40 0.00 0.47 0.00 -1.36 0.00 0.00 31.31 30.82 3abk n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27