#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 1.45 -1.14 0.00 -0.01 -1.26 -5.00 135.00 129.04 3abl n PRO 7 Ca 0.00 0.53 -0.09 0.00 -0.01 0.00 0.00 63.50 63.93 3abl n PRO 7 Cb 0.00 -2.22 0.05 0.00 -0.01 0.00 0.00 33.50 31.32 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 3.60 0.36 -0.34 2.55 3.85 -1.26 -4.88 116.55 120.43 3abl n ASP 8 Ca 0.20 -1.34 0.17 0.00 -0.71 0.00 0.00 54.79 53.11 3abl n ASP 8 Cb 0.21 -0.27 0.40 0.00 -1.35 0.00 0.00 41.12 40.11 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 -0.69 0.91 0.01 2.11 3.57 -1.99 -2.60 116.94 118.27 3abl h PHE 9 Ca -0.13 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.14 3abl h PHE 9 Cb 0.44 -0.27 0.02 0.00 2.79 0.00 0.00 35.95 38.93 3abl h PHE 9 CO 0.00 0.13 -1.05 0.45 -2.23 0.00 0.00 178.31 175.61 3abl h HIS 10 N 0.59 0.95 -0.57 0.41 3.86 -1.94 0.14 115.15 118.59 3abl h HIS 10 Ca 0.60 -0.53 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3abl h HIS 10 Cb 1.18 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 3abl h HIS 10 CO -0.00 1.36 0.17 -0.44 0.86 0.00 0.00 177.93 179.88 3abl h ASP 11 N 0.35 0.83 0.11 2.45 3.32 -1.88 0.21 116.42 121.80 3abl h ASP 11 Ca -0.13 -0.21 -0.29 0.00 0.02 0.00 0.00 57.03 56.43 3abl h ASP 11 Cb 1.70 -0.22 0.03 0.00 0.22 0.00 0.00 39.33 41.06 3abl h ASP 11 CO 0.20 0.82 -1.19 0.11 -1.72 0.00 0.00 179.24 177.47 3abl h LYS 12 N 0.80 0.62 0.00 3.56 1.57 -1.39 -3.41 116.57 118.31 3abl h LYS 12 Ca 0.18 -0.80 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 3abl h LYS 12 Cb 0.29 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3abl h LYS 12 CO -0.00 1.36 -0.58 0.66 -0.57 0.00 0.00 179.45 180.32 3abl n TYR 13 N -3.83 0.00 -0.15 -1.35 4.01 0.49 -4.77 117.16 111.56 3abl n TYR 13 Ca -0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.50 3abl n TYR 13 Cb 0.96 -0.04 -0.05 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.29 -0.62 1.81 2.72 0.00 -0.66 -1.35 103.07 106.26 3abl h GLY 14 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 3abl h GLY 14 CO 0.00 -0.16 -0.01 3.43 0.00 0.00 0.00 176.54 179.79 3abl h ASN 15 N -0.31 0.22 0.02 0.19 2.35 -1.86 -2.02 115.58 114.16 3abl h ASN 15 Ca 0.14 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3abl h ASN 15 Cb 0.58 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3abl h ASN 15 CO -0.61 0.28 -0.01 0.00 -1.65 0.00 0.00 177.43 175.44 3abl h ALA 16 N 1.75 -0.02 -0.80 -0.83 0.00 -1.75 -0.81 119.26 116.80 3abl h ALA 16 Ca 0.06 -0.39 0.19 0.00 0.00 0.00 0.00 54.91 54.77 3abl h ALA 16 Cb 0.19 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 3abl h ALA 16 CO 0.00 -0.08 0.06 0.28 0.00 0.00 0.00 179.25 179.51 3abl h VAL 17 N -0.89 0.31 0.33 0.00 2.07 -1.18 0.44 116.25 117.34 3abl h VAL 17 Ca -0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3abl h VAL 17 Cb 0.78 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3abl h VAL 17 CO 0.00 0.02 -0.16 0.25 0.02 0.00 0.00 177.57 177.71 3abl h LEU 18 N 0.12 -0.38 -0.33 2.57 5.85 -1.32 0.11 115.31 121.93 3abl h LEU 18 Ca 0.46 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3abl h LEU 18 Cb 0.84 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3abl h LEU 18 CO -0.68 -0.02 0.11 0.00 -0.34 0.00 0.00 178.44 177.50 3abl h ALA 19 N -0.26 0.38 0.07 1.25 0.00 -0.80 -1.00 119.26 118.91 3abl h ALA 19 Ca -0.05 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3abl h ALA 19 Cb 0.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3abl h ALA 19 CO 0.08 -0.29 -1.39 0.66 0.00 0.00 0.00 179.25 178.31 3abl h SER 20 N 0.25 0.24 -0.54 0.00 4.64 -0.16 -2.07 113.55 115.92 3abl h SER 20 Ca 0.15 -0.32 0.10 0.00 -0.47 0.00 0.00 61.79 61.25 3abl h SER 20 Cb 0.13 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 62.06 3abl h SER 20 CO -0.16 1.26 0.05 1.23 -0.87 0.00 0.00 176.83 178.34 3abl h GLY 21 N 2.25 0.61 0.87 -0.77 0.00 -0.72 -1.66 103.07 103.66 3abl h GLY 21 Ca -0.18 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3abl h GLY 21 CO 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 176.54 176.55 3abl h ALA 22 N 1.46 0.38 -0.67 3.60 0.00 -1.12 -0.97 119.26 121.94 3abl h ALA 22 Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3abl h ALA 22 Cb 0.42 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3abl h ALA 22 CO -0.42 0.13 0.44 1.15 0.00 0.00 0.00 179.25 180.55 3abl h THR 23 N 0.29 1.16 -0.13 0.00 2.02 -1.21 -1.82 112.91 113.21 3abl h THR 23 Ca 0.08 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 3abl h THR 23 Cb 0.43 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3abl h THR 23 CO 0.02 0.16 -0.13 0.15 0.37 0.00 0.00 175.52 176.09 3abl h PHE 24 N 0.90 0.37 0.03 3.16 3.57 -1.16 -0.04 116.94 123.76 3abl h PHE 24 Ca 0.25 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3abl h PHE 24 Cb -0.08 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3abl h PHE 24 CO -0.03 0.72 -0.23 0.00 -2.23 0.00 0.00 178.31 176.54 3abl h VAL 26 N -0.37 1.07 0.10 0.00 2.07 -1.31 -2.32 116.25 115.48 3abl h VAL 26 Ca 0.05 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3abl h VAL 26 Cb 0.44 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3abl h VAL 26 CO -0.18 0.07 -0.21 0.00 0.02 0.00 0.00 177.57 177.26 3abl h ALA 27 N 1.02 -0.34 0.00 1.67 0.00 -0.70 -1.57 119.26 119.34 3abl h ALA 27 Ca 0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3abl h ALA 27 Cb 0.02 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3abl h ALA 27 CO -0.01 -0.73 -0.62 -0.24 0.00 0.00 0.00 179.25 177.65 3abl h VAL 28 N -0.38 1.40 0.02 0.00 3.04 -1.05 -1.35 116.25 117.92 3abl h VAL 28 Ca 0.03 -2.16 -0.26 0.00 -1.01 0.00 0.00 66.70 63.31 3abl h VAL 28 Cb 0.41 2.18 0.01 0.00 -2.01 0.00 0.00 31.29 31.89 3abl h VAL 28 CO -0.13 0.61 -1.03 -0.50 -1.01 0.00 0.00 177.57 175.51 3abl h TRP 29 N 0.00 0.87 -0.79 3.17 4.06 -1.30 -0.86 115.95 121.09 3abl h TRP 29 Ca -0.01 -0.48 0.05 0.00 2.06 0.00 0.00 58.89 60.51 3abl h TRP 29 Cb 1.13 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 29.14 3abl h TRP 29 CO 0.00 1.32 0.49 0.28 -3.56 0.00 0.00 178.44 176.97 3abl h VAL 30 N 0.31 1.07 0.32 1.49 2.07 -1.12 0.15 116.25 120.54 3abl h VAL 30 Ca -0.12 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3abl h VAL 30 Cb 1.68 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3abl h VAL 30 CO 0.19 0.17 -0.16 0.22 0.02 0.00 0.00 177.57 178.02 3abl h TYR 31 N 0.93 -0.40 -0.92 1.57 5.03 -1.17 -2.03 116.97 119.99 3abl h TYR 31 Ca 0.33 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.77 3abl h TYR 31 Cb 0.09 0.13 -0.09 0.00 1.55 0.00 0.00 36.73 38.41 3abl h TYR 31 CO -0.04 -0.16 0.53 1.98 -1.32 0.00 0.00 178.16 179.15 3abl h MET 32 N -0.58 0.75 0.06 1.82 4.05 -1.08 0.14 114.93 120.09 3abl h MET 32 Ca -0.04 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.09 3abl h MET 32 Cb 0.43 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 3abl h MET 32 CO 0.07 0.50 -1.07 0.00 0.23 0.00 0.00 176.91 176.64 3abl h ALA 33 N 1.55 0.28 0.00 0.39 0.00 -0.80 -3.38 119.26 117.30 3abl h ALA 33 Ca 0.48 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3abl h ALA 33 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3abl h ALA 33 CO -0.32 0.98 -0.78 0.25 0.00 0.00 0.00 179.25 179.37 3abl n THR 34 N -3.57 0.00 0.09 0.00 -2.24 -0.78 -4.80 114.28 102.98 3abl n THR 34 Ca -0.06 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.48 3abl n THR 34 Cb 0.93 0.70 0.02 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.43 -0.03 -0.09 -0.78 1.13 0.47 -4.73 117.38 111.93 3abl n GLN 35 Ca 0.00 -0.82 0.06 0.00 -1.94 0.00 0.00 57.00 54.30 3abl n GLN 35 Cb 0.15 -1.05 0.08 0.00 0.11 0.00 0.00 30.24 29.52 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 0.08 1.35 -0.35 5.09 -5.35 -1.25 -4.99 119.36 113.95 3abl n ILE 36 Ca 0.02 -1.57 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 3abl n ILE 36 Cb 0.10 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 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 -0.95 0.79 3.75 3.28 0.00 -1.26 -5.04 105.19 105.76 3abl n GLY 37 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.17 2.05 -0.40 -0.61 1.01 -1.26 -4.98 121.20 114.84 3abl s ILE 38 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 3abl s ILE 38 Cb 0.00 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.49 3abl s ILE 38 CO 0.00 0.01 0.24 -0.70 0.00 0.00 0.00 174.94 174.49 3abl s GLU 39 N -0.51 2.76 0.37 2.79 2.56 -1.26 -4.92 118.70 120.49 3abl s GLU 39 Ca 0.63 -1.23 0.20 0.00 0.00 0.00 0.00 54.97 54.57 3abl s GLU 39 Cb -0.48 -3.79 0.27 0.00 2.00 0.00 0.00 34.13 32.13 3abl s GLU 39 CO 0.48 -0.82 1.56 -1.49 -0.56 0.00 0.00 175.26 174.43 3abl h TRP 40 N 8.46 0.00 -5.97 5.30 4.06 -1.95 -3.48 115.95 122.36 3abl h TRP 40 Ca -0.25 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.33 3abl h TRP 40 Cb 1.10 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.37 3abl h TRP 40 CO 0.59 0.22 -0.90 -1.71 -3.56 0.00 0.00 178.44 173.09 3abl n ASN 41 N -3.16 -4.86 -4.77 -3.49 5.15 -1.26 -4.98 115.26 97.88 3abl n ASN 41 Ca 0.03 -0.89 -0.29 0.00 -0.60 0.00 0.00 54.58 52.83 3abl n ASN 41 Cb 0.61 -4.05 0.14 0.00 -0.53 0.00 0.00 39.78 35.95 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 -5.52 1.06 0.33 1.20 0.04 -1.26 -4.97 135.00 125.89 3abl s PRO 42 Ca 0.37 0.32 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 3abl s PRO 42 Cb -0.10 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 3abl s PRO 42 CO 0.82 -2.26 1.37 0.45 0.04 0.00 0.00 177.00 177.41 3abl n SER 43 N -3.81 3.04 0.24 6.66 2.88 -1.26 -4.89 113.62 116.47 3abl n SER 43 Ca 0.06 1.20 0.16 0.00 -1.33 0.00 0.00 58.87 58.96 3abl n SER 43 Cb 0.59 -1.51 0.64 0.00 -0.75 0.00 0.00 64.21 63.18 3abl n SER 43 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3abl h PRO 44 N 3.03 0.00 -6.40 -1.46 0.13 -1.97 -3.44 132.00 121.89 3abl h PRO 44 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 3abl h PRO 44 Cb 1.27 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.44 3abl h PRO 44 CO 0.66 0.00 0.98 0.28 -0.23 0.00 0.00 178.00 179.69 3abl n VAL 45 N -2.84 0.32 -0.94 1.56 0.31 -1.26 -0.22 118.33 115.26 3abl n VAL 45 Ca 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3abl n VAL 45 Cb 0.28 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 3.98 0.42 0.00 2.92 0.00 -1.26 -4.72 105.19 106.53 3abl n GLY 46 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.68 2.03 -3.98 1.61 1.85 -0.32 -5.07 116.66 111.09 3abl n ARG 47 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 3abl n ARG 47 Cb 0.12 -0.60 -0.08 0.00 -1.05 0.00 0.00 32.46 30.86 3abl n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3abl s VAL 48 N -0.95 5.10 -0.32 8.89 1.01 0.70 -5.07 120.40 129.76 3abl s VAL 48 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 3abl s VAL 48 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3abl s VAL 48 CO 0.00 0.56 0.56 -0.89 0.00 0.00 0.00 175.10 175.32 3abl s THR 49 N -0.50 4.99 0.40 3.92 2.01 -1.26 -4.91 115.64 120.30 3abl s THR 49 Ca 0.11 0.63 -0.27 0.00 0.31 0.00 0.00 61.69 62.47 3abl s THR 49 Cb -0.12 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 3abl s THR 49 CO 0.02 -0.13 1.45 -2.65 -0.69 0.00 0.00 174.62 172.61 3abl n PRO 50 N 5.77 2.46 -4.67 4.92 -0.02 -1.26 -5.02 135.00 137.17 3abl n PRO 50 Ca -0.03 0.87 -0.23 0.00 -2.02 0.00 0.00 63.50 62.09 3abl n PRO 50 Cb 0.49 -2.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 3abl n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3abl s LYS 51 N -2.22 1.21 0.02 -0.52 2.20 -1.26 -5.10 119.74 114.06 3abl s LYS 51 Ca 0.56 -0.57 -0.37 0.00 -0.36 0.00 0.00 55.97 55.23 3abl s LYS 51 Cb -0.47 -1.18 -0.17 0.00 -1.51 0.00 0.00 37.83 34.50 3abl s LYS 51 CO 0.61 0.32 1.41 0.39 -0.36 0.00 0.00 175.35 177.72 3abl n GLU 52 N 2.61 1.13 -0.02 4.03 -0.58 -1.26 -4.89 120.64 121.65 3abl n GLU 52 Ca -0.15 0.41 -0.02 0.00 -0.42 0.00 0.00 57.16 56.98 3abl n GLU 52 Cb 0.55 -2.06 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 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 3.03 0.00 0.80 -0.32 4.27 -1.26 -5.33 117.44 118.63 3abl n TRP 53 Ca 0.20 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.87 3abl n TRP 53 Cb 0.18 -0.23 0.38 0.00 -1.36 0.00 0.00 31.31 30.28 3abl n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27