#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl n PRO 7 N 0.00 0.00 -0.29 0.00 -0.01 -1.26 -5.00 135.00 128.44 3abl n PRO 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 3abl n PRO 7 Cb 0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 33.50 32.05 3abl n PRO 7 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 3abl n ASP 8 N 5.05 0.00 -0.21 2.55 3.85 -1.26 -4.84 116.55 121.69 3abl n ASP 8 Ca 0.38 -0.58 -0.06 0.00 -0.71 0.00 0.00 54.79 53.82 3abl n ASP 8 Cb -0.05 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 39.76 3abl n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3abl h PHE 9 N -0.29 0.80 -0.52 2.11 3.57 -1.99 -1.87 116.94 118.74 3abl h PHE 9 Ca 0.00 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3abl h PHE 9 Cb 0.00 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3abl h PHE 9 CO 0.00 0.55 -0.13 0.45 -2.23 0.00 0.00 178.31 176.95 3abl h HIS 10 N 0.82 1.14 -0.02 0.41 3.86 -1.94 0.53 115.15 119.94 3abl h HIS 10 Ca 0.22 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3abl h HIS 10 Cb -0.02 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 3abl h HIS 10 CO -0.02 1.07 0.01 -0.44 0.86 0.00 0.00 177.93 179.41 3abl h ASP 11 N 0.88 0.03 -0.02 2.45 3.32 -1.87 1.00 116.42 122.21 3abl h ASP 11 Ca 0.13 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3abl h ASP 11 Cb 0.70 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3abl h ASP 11 CO 0.05 0.09 -0.03 0.11 -1.72 0.00 0.00 179.24 177.75 3abl h LYS 12 N -0.04 0.05 -0.01 3.56 1.57 -1.14 -3.39 116.57 117.17 3abl h LYS 12 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3abl h LYS 12 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3abl h LYS 12 CO -0.00 0.58 -0.23 0.66 -0.57 0.00 0.00 179.45 179.89 3abl n TYR 13 N -4.78 0.00 0.33 -1.35 4.01 0.18 -4.78 117.16 110.77 3abl n TYR 13 Ca -0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.49 3abl n TYR 13 Cb 0.29 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.24 3abl n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3abl h GLY 14 N 3.07 -0.84 -0.24 2.72 0.00 -0.88 -0.97 103.07 105.93 3abl h GLY 14 Ca 0.00 0.31 0.23 0.00 0.00 0.00 0.00 47.33 47.87 3abl h GLY 14 CO 0.00 -0.31 0.39 3.43 0.00 0.00 0.00 176.54 180.05 3abl h ASN 15 N -0.88 0.31 -0.04 0.19 2.35 -1.86 -0.73 115.58 114.90 3abl h ASN 15 Ca -0.08 0.16 -0.21 0.00 -0.55 0.00 0.00 56.30 55.62 3abl h ASN 15 Cb 0.65 0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.18 3abl h ASN 15 CO 0.14 -0.02 -0.79 0.00 -1.65 0.00 0.00 177.43 175.10 3abl h ALA 16 N 1.72 0.16 -0.02 -0.83 0.00 -1.77 -1.70 119.26 116.81 3abl h ALA 16 Ca 0.57 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3abl h ALA 16 Cb 1.10 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3abl h ALA 16 CO -0.54 0.55 -0.19 0.28 0.00 0.00 0.00 179.25 179.34 3abl h VAL 17 N 0.25 0.54 -0.31 0.00 2.07 -0.63 0.20 116.25 118.37 3abl h VAL 17 Ca -0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3abl h VAL 17 Cb 1.46 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3abl h VAL 17 CO 0.16 0.00 0.05 0.25 0.02 0.00 0.00 177.57 178.05 3abl h LEU 18 N -0.30 -0.02 -0.09 2.57 5.85 -1.16 0.76 115.31 122.93 3abl h LEU 18 Ca 0.06 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3abl h LEU 18 Cb 0.38 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.50 3abl h LEU 18 CO -0.19 0.03 -0.41 0.00 -0.34 0.00 0.00 178.44 177.52 3abl h ALA 19 N 1.24 0.17 0.47 1.25 0.00 -0.90 -1.40 119.26 120.09 3abl h ALA 19 Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3abl h ALA 19 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3abl h ALA 19 CO -0.20 0.29 -0.23 0.77 0.00 0.00 0.00 179.25 179.88 3abl h SER 20 N -0.01 -0.54 -0.34 0.00 0.02 -0.62 -2.09 113.55 109.97 3abl h SER 20 Ca -0.03 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3abl h SER 20 Cb 1.06 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.65 3abl h SER 20 CO 0.09 -0.36 -0.33 1.23 -1.14 0.00 0.00 176.83 176.32 3abl h GLY 21 N -0.67 -0.31 1.41 -3.77 0.00 0.57 0.78 103.07 101.07 3abl h GLY 21 Ca -0.07 0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.68 3abl h GLY 21 CO 0.11 -0.21 0.40 0.00 0.00 0.00 0.00 176.54 176.84 3abl h ALA 22 N 0.67 1.57 0.06 3.60 0.00 -1.26 0.13 119.26 124.03 3abl h ALA 22 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3abl h ALA 22 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3abl h ALA 22 CO -0.50 0.40 -0.03 1.15 0.00 0.00 0.00 179.25 180.28 3abl h THR 23 N 0.82 1.26 -0.07 0.00 2.02 -0.62 -1.34 112.91 114.99 3abl h THR 23 Ca 0.22 -1.39 0.04 0.00 0.77 0.00 0.00 66.41 66.05 3abl h THR 23 Cb -0.09 2.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 3abl h THR 23 CO -0.05 0.33 -0.26 0.15 0.37 0.00 0.00 175.52 176.06 3abl h PHE 24 N -0.74 -0.70 -0.39 3.16 3.57 -0.73 -2.13 116.94 118.98 3abl h PHE 24 Ca -0.01 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.60 3abl h PHE 24 Cb 0.61 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 3abl h PHE 24 CO 0.13 -0.35 -0.15 0.00 -2.23 0.00 0.00 178.31 175.71 3abl h VAL 26 N -0.07 1.26 -0.15 0.00 2.07 -1.17 -2.11 116.25 116.08 3abl h VAL 26 Ca 0.19 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3abl h VAL 26 Cb 0.36 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3abl h VAL 26 CO -0.44 0.39 -0.06 0.00 0.02 0.00 0.00 177.57 177.48 3abl h ALA 27 N 1.12 0.21 -0.19 1.67 0.00 -0.60 -0.93 119.26 120.54 3abl h ALA 27 Ca 0.17 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3abl h ALA 27 Cb 0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3abl h ALA 27 CO 0.02 -0.01 -0.63 -0.24 0.00 0.00 0.00 179.25 178.39 3abl h VAL 28 N -0.02 1.31 -0.27 0.00 3.04 -0.97 -1.95 116.25 117.38 3abl h VAL 28 Ca 0.03 -1.87 -0.11 0.00 -1.01 0.00 0.00 66.70 63.74 3abl h VAL 28 Cb 0.51 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 3abl h VAL 28 CO 0.02 0.59 -0.29 -0.50 -1.01 0.00 0.00 177.57 176.38 3abl h TRP 29 N 0.50 0.63 -0.38 3.17 4.06 -1.33 0.31 115.95 122.91 3abl h TRP 29 Ca -0.01 -0.15 -0.02 0.00 2.06 0.00 0.00 58.89 60.77 3abl h TRP 29 Cb 1.22 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 29.21 3abl h TRP 29 CO 0.06 0.78 0.15 0.28 -3.56 0.00 0.00 178.44 176.15 3abl h VAL 30 N 0.48 1.19 0.73 1.49 2.07 -1.01 0.14 116.25 121.33 3abl h VAL 30 Ca 0.06 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3abl h VAL 30 Cb 0.74 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3abl h VAL 30 CO 0.06 0.21 -0.35 0.22 0.02 0.00 0.00 177.57 177.73 3abl h TYR 31 N 0.46 -0.91 -0.84 1.57 5.03 -1.11 -1.12 116.97 120.06 3abl h TYR 31 Ca 0.13 -0.02 0.20 0.00 2.58 0.00 0.00 58.73 61.62 3abl h TYR 31 Cb 0.18 0.30 -0.15 0.00 1.55 0.00 0.00 36.73 38.61 3abl h TYR 31 CO -0.00 -0.56 0.00 1.98 -1.32 0.00 0.00 178.16 178.26 3abl h MET 32 N -1.01 0.07 0.00 1.82 4.05 -0.88 -0.62 114.93 118.36 3abl h MET 32 Ca -0.10 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 3abl h MET 32 Cb 0.76 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.54 3abl h MET 32 CO 0.16 0.05 -0.12 0.00 0.23 0.00 0.00 176.91 177.24 3abl h ALA 33 N 1.81 0.95 0.00 0.39 0.00 0.13 -3.39 119.26 119.15 3abl h ALA 33 Ca 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3abl h ALA 33 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3abl h ALA 33 CO -0.76 0.14 -0.17 0.25 0.00 0.00 0.00 179.25 178.71 3abl n THR 34 N -3.17 0.00 -0.07 0.00 -2.24 -0.50 -4.83 114.28 103.46 3abl n THR 34 Ca 0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3abl n THR 34 Cb 0.48 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.54 3abl n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3abl n GLN 35 N -0.74 2.86 -0.08 -0.78 1.13 -0.26 -4.76 117.38 114.75 3abl n GLN 35 Ca 0.00 -1.53 0.01 0.00 -1.94 0.00 0.00 57.00 53.54 3abl n GLN 35 Cb 0.00 -1.01 0.01 0.00 0.11 0.00 0.00 30.24 29.35 3abl n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3abl n ILE 36 N -0.53 0.52 -1.87 5.09 -5.35 -1.26 -5.00 119.36 110.95 3abl n ILE 36 Ca 0.01 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 3abl n ILE 36 Cb 0.27 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 3abl n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3abl n GLY 37 N -0.31 0.50 3.74 3.28 0.00 -1.26 -5.01 105.19 106.12 3abl n GLY 37 Ca 0.02 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3abl n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abl s ILE 38 N -2.02 4.14 -0.40 -0.61 1.01 -1.26 -5.02 121.20 117.04 3abl s ILE 38 Ca 0.00 1.84 -0.14 0.00 0.00 0.00 0.00 60.65 62.34 3abl s ILE 38 Cb 0.00 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3abl s ILE 38 CO 0.00 0.31 0.28 -0.70 0.00 0.00 0.00 174.94 174.84 3abl s GLU 39 N -0.29 3.06 0.39 2.79 2.56 -1.26 -4.92 118.70 121.02 3abl s GLU 39 Ca 0.48 -0.96 0.21 0.00 0.00 0.00 0.00 54.97 54.70 3abl s GLU 39 Cb -0.27 -3.93 0.25 0.00 2.00 0.00 0.00 34.13 32.18 3abl s GLU 39 CO 0.33 -0.69 1.54 -1.49 -0.56 0.00 0.00 175.26 174.38 3abl h TRP 40 N 8.59 0.00 -5.95 5.30 4.06 -1.95 -3.48 115.95 122.51 3abl h TRP 40 Ca -0.28 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.35 3abl h TRP 40 Cb 1.13 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 29.38 3abl h TRP 40 CO 0.57 0.13 -0.78 -1.71 -3.56 0.00 0.00 178.44 173.10 3abl n ASN 41 N -3.11 -6.02 -4.78 -3.49 5.15 -1.26 -5.00 115.26 96.74 3abl n ASN 41 Ca 0.03 -0.78 -0.29 0.00 -0.60 0.00 0.00 54.58 52.94 3abl n ASN 41 Cb 0.59 -3.96 0.12 0.00 -0.53 0.00 0.00 39.78 35.99 3abl n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3abl s PRO 42 N -5.01 1.44 0.30 1.20 0.04 -1.26 -4.96 135.00 126.75 3abl s PRO 42 Ca 0.35 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 3abl s PRO 42 Cb -0.10 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 3abl s PRO 42 CO 0.82 -1.97 1.53 0.45 0.04 0.00 0.00 177.00 177.87 3abl n SER 43 N -3.58 3.62 0.14 6.66 2.88 -1.26 -4.86 113.62 117.22 3abl n SER 43 Ca 0.08 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.91 3abl n SER 43 Cb 0.60 -1.57 0.50 0.00 -0.75 0.00 0.00 64.21 62.99 3abl n SER 43 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3abl h PRO 44 N 4.27 0.00 -6.42 -1.46 0.11 -1.97 -3.42 132.00 123.10 3abl h PRO 44 Ca -0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 3abl h PRO 44 Cb 1.24 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.39 3abl h PRO 44 CO 0.75 0.00 0.98 0.28 -0.21 0.00 0.00 178.00 179.80 3abl n VAL 45 N -2.33 0.30 -0.88 3.15 0.31 -1.26 0.40 118.33 118.02 3abl n VAL 45 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3abl n VAL 45 Cb 0.26 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 3abl n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3abl n GLY 46 N 3.96 0.19 0.00 2.92 0.00 -1.26 -4.78 105.19 106.23 3abl n GLY 46 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3abl n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3abl n ARG 47 N -0.77 2.46 -4.02 1.61 -4.01 0.16 -5.07 116.66 107.02 3abl n ARG 47 Ca 0.00 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.46 3abl n ARG 47 Cb 0.24 -0.96 -0.09 0.00 -3.04 0.00 0.00 32.46 28.61 3abl n ARG 47 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3abl s VAL 48 N -1.93 4.94 -0.31 8.89 1.01 -0.24 -5.08 120.40 127.68 3abl s VAL 48 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 3abl s VAL 48 Cb 0.00 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 3abl s VAL 48 CO 0.00 0.53 0.76 -0.89 0.00 0.00 0.00 175.10 175.50 3abl s THR 49 N -0.25 4.82 0.42 3.92 2.01 -1.26 -4.94 115.64 120.35 3abl s THR 49 Ca 0.09 1.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.94 3abl s THR 49 Cb -0.12 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.17 3abl s THR 49 CO 0.01 -0.23 1.45 -2.84 -0.69 0.00 0.00 174.62 172.32 3abl s PRO 50 N 2.90 3.88 -0.03 4.92 0.02 -1.26 -5.01 135.00 140.42 3abl s PRO 50 Ca 0.31 2.49 0.06 0.00 0.02 0.00 0.00 61.00 63.88 3abl s PRO 50 Cb -0.14 -2.80 -0.01 0.00 0.02 0.00 0.00 34.50 31.56 3abl s PRO 50 CO 0.12 -0.68 -0.22 0.15 -0.33 0.00 0.00 177.00 176.05 3abl s LYS 51 N -2.28 1.88 -0.40 5.54 1.02 -1.26 -5.09 119.74 119.15 3abl s LYS 51 Ca 0.57 -0.77 -0.37 0.00 0.02 0.00 0.00 55.97 55.41 3abl s LYS 51 Cb -0.45 -1.75 -0.16 0.00 -0.52 0.00 0.00 37.83 34.95 3abl s LYS 51 CO 0.59 0.42 1.29 0.39 -0.92 0.00 0.00 175.35 177.13 3abl n GLU 52 N 2.69 0.00 -0.04 1.68 -0.58 -1.26 -4.85 120.64 118.28 3abl n GLU 52 Ca -0.16 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.54 3abl n GLU 52 Cb 0.52 -1.20 -0.05 0.00 -0.57 0.00 0.00 31.44 30.14 3abl n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3abl n TRP 53 N 3.29 0.00 1.71 -0.32 4.27 -1.26 -5.33 117.44 119.80 3abl n TRP 53 Ca 0.25 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 54.01 3abl n TRP 53 Cb -0.05 -0.35 0.70 0.00 -1.36 0.00 0.00 31.31 30.26 3abl n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27