#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 0.94 -0.63 0.00 -0.04 -1.26 -4.93 135.00 129.08 3abk n PRO 7 Ca 0.00 0.34 -0.10 0.00 -0.04 0.00 0.00 63.50 63.71 3abk n PRO 7 Cb 0.00 -1.99 0.07 0.00 -0.04 0.00 0.00 33.50 31.54 3abk n PRO 7 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3abk n ASP 8 N 4.75 0.04 -0.36 3.54 3.85 -1.26 -4.77 116.55 122.34 3abk n ASP 8 Ca 0.26 -1.16 0.29 0.00 -0.71 0.00 0.00 54.79 53.47 3abk n ASP 8 Cb 0.10 -0.33 0.58 0.00 -1.35 0.00 0.00 41.12 40.13 3abk n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3abk h PHE 9 N -1.24 0.53 0.20 2.11 3.57 -1.99 -2.51 116.94 117.61 3abk h PHE 9 Ca -0.14 0.02 -0.32 0.00 3.53 0.00 0.00 57.97 61.06 3abk h PHE 9 Cb 0.39 -0.15 0.02 0.00 2.79 0.00 0.00 35.95 39.00 3abk h PHE 9 CO 0.00 -0.03 -1.48 0.45 -2.23 0.00 0.00 178.31 175.02 3abk h HIS 10 N 0.25 0.75 -0.45 0.41 -0.00 -1.96 0.93 115.15 115.08 3abk h HIS 10 Ca 0.66 -0.55 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 3abk h HIS 10 Cb 1.94 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 29.30 3abk h HIS 10 CO -0.00 1.49 -0.02 -0.44 -0.00 0.00 0.00 177.93 178.96 3abk h ASP 11 N 0.11 0.80 -0.03 2.45 3.32 -1.87 0.20 116.42 121.40 3abk h ASP 11 Ca -0.24 -0.32 -0.18 0.00 0.02 0.00 0.00 57.03 56.31 3abk h ASP 11 Cb 2.09 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.43 3abk h ASP 11 CO 0.23 0.93 -0.61 0.11 -1.72 0.00 0.00 179.24 178.17 3abk h LYS 12 N 0.66 0.63 0.00 3.56 1.57 -1.39 -3.39 116.57 118.21 3abk h LYS 12 Ca 0.13 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3abk h LYS 12 Cb 0.53 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3abk h LYS 12 CO 0.03 1.05 -0.26 0.66 -0.57 0.00 0.00 179.45 180.36 3abk n TYR 13 N -3.95 0.00 -0.37 -1.35 4.01 0.31 -4.83 117.16 110.99 3abk n TYR 13 Ca -0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.65 3abk n TYR 13 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.67 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 0.00 -0.26 1.16 2.72 0.00 -0.70 0.17 103.07 106.16 3abk h GLY 14 Ca 0.00 0.61 -0.19 0.00 0.00 0.00 0.00 47.33 47.75 3abk h GLY 14 CO 0.00 -0.12 -0.57 3.43 0.00 0.00 0.00 176.54 179.28 3abk h ASN 15 N -0.03 0.98 0.42 0.19 2.35 -1.85 -1.78 115.58 115.85 3abk h ASN 15 Ca 0.27 -0.54 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 3abk h ASN 15 Cb 0.54 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3abk h ASN 15 CO -0.94 1.34 -0.40 0.00 -1.65 0.00 0.00 177.43 175.78 3abk h ALA 16 N 0.68 -0.88 -0.75 -0.83 0.00 -1.69 0.31 119.26 116.10 3abk h ALA 16 Ca 0.01 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.92 3abk h ALA 16 Cb 1.18 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 3abk h ALA 16 CO 0.13 -1.03 0.26 0.28 0.00 0.00 0.00 179.25 178.89 3abk h VAL 17 N -0.83 0.61 0.77 0.00 2.07 -0.50 -0.46 116.25 117.91 3abk h VAL 17 Ca -0.04 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3abk h VAL 17 Cb 0.73 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3abk h VAL 17 CO -0.05 0.07 -0.37 0.25 0.02 0.00 0.00 177.57 177.49 3abk h LEU 18 N 0.39 -0.88 -0.44 2.57 5.85 -1.15 0.87 115.31 122.52 3abk h LEU 18 Ca 0.41 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.19 3abk h LEU 18 Cb 0.66 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 3abk h LEU 18 CO -0.43 -0.54 -0.33 0.00 -0.34 0.00 0.00 178.44 176.80 3abk h ALA 19 N -1.11 -0.42 -0.44 1.25 0.00 -0.84 -2.39 119.26 115.31 3abk h ALA 19 Ca -0.11 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3abk h ALA 19 Cb 0.81 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3abk h ALA 19 CO 0.17 -0.62 0.29 0.66 0.00 0.00 0.00 179.25 179.75 3abk h SER 20 N -0.09 0.50 0.00 0.00 4.64 -1.14 -2.53 113.55 114.94 3abk h SER 20 Ca 0.07 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3abk h SER 20 Cb 0.28 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3abk h SER 20 CO -0.46 0.36 -0.27 1.23 -0.87 0.00 0.00 176.83 176.82 3abk h GLY 21 N 0.59 -0.42 1.60 -0.77 0.00 -0.80 0.81 103.07 104.08 3abk h GLY 21 Ca 0.16 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 3abk h GLY 21 CO -0.04 -0.22 0.14 0.00 0.00 0.00 0.00 176.54 176.43 3abk h ALA 22 N 0.39 1.56 0.00 3.60 0.00 -1.42 0.56 119.26 123.94 3abk h ALA 22 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3abk h ALA 22 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3abk h ALA 22 CO -0.24 0.35 -0.02 1.15 0.00 0.00 0.00 179.25 180.49 3abk h THR 23 N 0.52 1.74 -0.17 0.00 2.02 -0.97 -0.59 112.91 115.46 3abk h THR 23 Ca 0.13 -2.20 0.05 0.00 0.77 0.00 0.00 66.41 65.15 3abk h THR 23 Cb 0.12 3.24 -0.05 0.00 -1.74 0.00 0.00 68.15 69.71 3abk h THR 23 CO -0.01 0.57 -0.18 0.15 0.37 0.00 0.00 175.52 176.42 3abk h PHE 24 N -0.92 -0.46 -0.30 3.16 3.57 -0.76 -1.83 116.94 119.41 3abk h PHE 24 Ca -0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3abk h PHE 24 Cb 0.95 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3abk h PHE 24 CO 0.25 -0.25 0.06 0.00 -2.23 0.00 0.00 178.31 176.14 3abk h VAL 26 N 0.17 1.22 0.15 0.00 2.07 -0.99 -2.64 116.25 116.23 3abk h VAL 26 Ca 0.14 -0.84 -0.24 0.00 0.82 0.00 0.00 66.70 66.58 3abk h VAL 26 Cb 0.14 0.75 0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3abk h VAL 26 CO -0.18 0.31 -1.01 0.00 0.02 0.00 0.00 177.57 176.70 3abk h ALA 27 N 1.35 -0.08 -0.03 1.67 0.00 -0.92 -1.58 119.26 119.67 3abk h ALA 27 Ca 0.16 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 3abk h ALA 27 Cb 0.32 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3abk h ALA 27 CO 0.00 0.49 -0.54 -0.24 0.00 0.00 0.00 179.25 178.97 3abk h VAL 28 N -0.13 1.38 -0.22 0.00 3.04 -1.33 -1.52 116.25 117.47 3abk h VAL 28 Ca -0.17 -1.84 -0.06 0.00 -1.01 0.00 0.00 66.70 63.63 3abk h VAL 28 Cb 1.77 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 33.00 3abk h VAL 28 CO 0.19 0.53 -0.09 -0.50 -1.01 0.00 0.00 177.57 176.69 3abk h TRP 29 N 0.07 0.51 -0.61 3.17 4.06 -1.49 0.22 115.95 121.88 3abk h TRP 29 Ca -0.00 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.84 3abk h TRP 29 Cb 0.97 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.98 3abk h TRP 29 CO 0.01 0.71 0.39 0.28 -3.56 0.00 0.00 178.44 176.27 3abk h VAL 30 N 0.15 1.13 -0.48 1.49 2.07 -1.23 0.13 116.25 119.51 3abk h VAL 30 Ca 0.05 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 3abk h VAL 30 Cb 0.57 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3abk h VAL 30 CO 0.03 0.14 -0.05 0.22 0.02 0.00 0.00 177.57 177.93 3abk h TYR 31 N 0.79 0.97 -0.63 1.57 5.03 -1.11 -0.55 116.97 123.04 3abk h TYR 31 Ca 0.23 -0.19 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 3abk h TYR 31 Cb -0.06 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 37.95 3abk h TYR 31 CO -0.04 0.94 0.19 1.98 -1.32 0.00 0.00 178.16 179.91 3abk h MET 32 N 0.73 0.98 -0.07 1.82 4.05 0.01 0.14 114.93 122.59 3abk h MET 32 Ca 0.13 -0.21 -0.10 0.00 -0.28 0.00 0.00 59.70 59.23 3abk h MET 32 Cb 0.58 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 3abk h MET 32 CO 0.03 0.87 -0.42 0.00 0.23 0.00 0.00 176.91 177.63 3abk h ALA 33 N 1.07 1.16 0.00 0.39 0.00 -0.31 -3.36 119.26 118.21 3abk h ALA 33 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3abk h ALA 33 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3abk h ALA 33 CO -0.01 0.57 -0.94 0.25 0.00 0.00 0.00 179.25 179.13 3abk n THR 34 N -4.03 0.00 0.25 0.00 -2.24 -0.26 -4.73 114.28 103.28 3abk n THR 34 Ca -0.02 -0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.71 3abk n THR 34 Cb 0.47 0.54 0.07 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.49 1.04 -0.22 -0.78 1.13 0.47 -4.61 117.38 112.92 3abk n GLN 35 Ca -0.00 -1.32 0.04 0.00 -1.94 0.00 0.00 57.00 53.78 3abk n GLN 35 Cb 0.05 -1.20 0.06 0.00 0.11 0.00 0.00 30.24 29.26 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 0.50 0.94 -2.46 5.09 -5.35 -1.26 -4.99 119.36 111.84 3abk n ILE 36 Ca 0.07 -1.11 -0.10 0.00 -0.27 0.00 0.00 62.75 61.34 3abk n ILE 36 Cb 0.29 0.21 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 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 -0.69 0.09 3.71 3.28 0.00 -1.26 -5.01 105.19 105.30 3abk n GLY 37 Ca 0.07 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.70 4.46 -0.65 -0.61 1.01 -1.26 -5.02 121.20 116.43 3abk s ILE 38 Ca 0.09 1.76 -0.25 0.00 0.00 0.00 0.00 60.65 62.25 3abk s ILE 38 Cb -0.04 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.34 3abk s ILE 38 CO 0.11 0.11 1.11 -0.70 0.00 0.00 0.00 174.94 175.57 3abk s GLU 39 N 1.29 3.26 0.32 2.79 2.56 -1.26 -4.94 118.70 122.72 3abk s GLU 39 Ca 0.55 -0.31 0.24 0.00 0.00 0.00 0.00 54.97 55.45 3abk s GLU 39 Cb -0.24 -4.14 0.50 0.00 2.00 0.00 0.00 34.13 32.25 3abk s GLU 39 CO 0.27 -1.84 1.62 -1.49 -0.56 0.00 0.00 175.26 173.26 3abk h TRP 40 N 9.67 0.00 -6.34 5.30 4.06 -1.95 -3.48 115.95 123.21 3abk h TRP 40 Ca -0.27 0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.22 3abk h TRP 40 Cb 1.06 0.00 0.07 0.00 -1.00 0.00 0.00 29.16 29.29 3abk h TRP 40 CO 1.02 0.00 -0.95 -1.71 -3.56 0.00 0.00 178.44 173.24 3abk n ASN 41 N -2.69 -4.95 -4.64 -3.49 5.15 -1.26 -4.98 115.26 98.40 3abk n ASN 41 Ca 0.04 -1.06 -0.29 0.00 -0.60 0.00 0.00 54.58 52.67 3abk n ASN 41 Cb 0.49 -3.12 0.18 0.00 -0.53 0.00 0.00 39.78 36.80 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 -6.22 0.52 0.29 1.20 0.04 -1.26 -4.95 135.00 124.63 3abk s PRO 42 Ca 0.46 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 3abk s PRO 42 Cb -0.18 -1.72 -0.13 0.00 0.04 0.00 0.00 34.50 32.51 3abk s PRO 42 CO 0.88 -2.77 1.25 0.45 0.04 0.00 0.00 177.00 176.85 3abk n SER 43 N -4.26 2.33 0.22 6.66 2.88 -1.26 -4.88 113.62 115.30 3abk n SER 43 Ca 0.06 1.18 0.16 0.00 -1.33 0.00 0.00 58.87 58.94 3abk n SER 43 Cb 0.55 -1.40 0.68 0.00 -0.75 0.00 0.00 64.21 63.28 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 2.95 0.00 -6.37 -1.46 0.11 -1.97 -3.43 132.00 121.83 3abk h PRO 44 Ca -0.44 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 3abk h PRO 44 Cb 1.30 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.43 3abk h PRO 44 CO 0.66 0.00 1.23 0.08 -0.21 0.00 0.00 178.00 179.76 3abk s VAL 45 N -3.60 2.97 -1.27 3.15 1.01 -1.26 -0.58 120.40 120.83 3abk s VAL 45 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3abk s VAL 45 Cb 0.09 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3abk s VAL 45 CO 0.44 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3abk n GLY 46 N 4.52 1.29 0.00 4.51 0.00 -1.26 -4.80 105.19 109.45 3abk n GLY 46 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3abk n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3abk n ARG 47 N -2.47 3.94 -4.88 1.61 1.85 0.26 -5.08 116.66 111.89 3abk n ARG 47 Ca -0.12 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.40 3abk n ARG 47 Cb 0.41 -0.43 -0.15 0.00 -1.05 0.00 0.00 32.46 31.25 3abk n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3abk s VAL 48 N -0.23 2.88 -0.42 8.89 1.01 -0.28 -5.06 120.40 127.19 3abk s VAL 48 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 3abk s VAL 48 Cb 0.00 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.22 3abk s VAL 48 CO 0.00 0.54 0.76 -0.89 0.00 0.00 0.00 175.10 175.52 3abk s THR 49 N 0.13 4.70 0.43 3.92 2.01 -1.26 -4.93 115.64 120.64 3abk s THR 49 Ca -0.08 0.51 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 3abk s THR 49 Cb -0.15 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.00 3abk s THR 49 CO 0.05 -0.62 1.46 -2.84 -0.69 0.00 0.00 174.62 171.98 3abk s PRO 50 N 3.17 3.81 0.02 4.92 0.02 -1.26 -5.03 135.00 140.67 3abk s PRO 50 Ca 0.29 2.50 0.04 0.00 0.02 0.00 0.00 61.00 63.86 3abk s PRO 50 Cb -0.13 -2.76 -0.02 0.00 0.02 0.00 0.00 34.50 31.62 3abk s PRO 50 CO 0.21 -0.75 -0.13 0.21 -0.33 0.00 0.00 177.00 176.21 3abk s LYS 51 N -2.34 0.91 0.22 5.54 2.20 -1.26 -5.11 119.74 119.89 3abk s LYS 51 Ca 0.58 -0.65 -0.32 0.00 -0.36 0.00 0.00 55.97 55.23 3abk s LYS 51 Cb -0.45 -0.89 -0.14 0.00 -1.51 0.00 0.00 37.83 34.84 3abk s LYS 51 CO 0.60 0.23 1.41 0.39 -0.36 0.00 0.00 175.35 177.61 3abk n GLU 52 N 2.16 1.95 -0.00 4.03 -0.58 -1.26 -4.85 120.64 122.09 3abk n GLU 52 Ca -0.17 0.69 -0.00 0.00 -0.42 0.00 0.00 57.16 57.27 3abk n GLU 52 Cb 0.55 -2.36 -0.00 0.00 -0.57 0.00 0.00 31.44 29.06 3abk n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3abk n TRP 53 N 2.13 0.00 0.49 -0.32 4.27 -1.26 -5.33 117.44 117.43 3abk n TRP 53 Ca 0.13 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.78 3abk n TRP 53 Cb 0.30 -0.01 0.23 0.00 -1.36 0.00 0.00 31.31 30.48 3abk n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27