#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bus n ALA 3 N 0.00 -3.76 -3.04 4.61 0.00 -1.26 -5.03 120.51 112.03 1bus n ALA 3 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1bus n ALA 3 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1bus n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bus n GLN 4 N -4.22 0.24 -2.67 0.00 0.00 -1.26 -5.13 117.38 104.34 1bus n GLN 4 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 57.00 56.60 1bus n GLN 4 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.86 1bus n GLN 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1bus s VAL 5 N -1.37 3.93 0.15 -0.39 1.01 -1.26 -5.05 120.40 117.41 1bus s VAL 5 Ca 0.00 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1bus s VAL 5 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1bus s VAL 5 CO 0.00 0.29 0.06 0.47 0.00 0.00 0.00 175.10 175.92 1bus n ASP 6 N 0.92 0.81 -0.01 3.32 8.00 -1.26 -5.12 116.55 123.21 1bus n ASP 6 Ca 0.00 -1.81 -0.01 0.00 0.71 0.00 0.00 54.79 53.68 1bus n ASP 6 Cb 0.48 0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1bus n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bus h ALA 8 N -1.21 1.72 -0.93 0.00 0.00 -1.99 -2.50 119.26 114.35 1bus h ALA 8 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1bus h ALA 8 Cb 0.14 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1bus h ALA 8 CO 0.00 -0.24 0.60 0.93 0.00 0.00 0.00 179.25 180.54 1bus h GLU 9 N 0.00 0.96 -0.90 0.00 3.07 -2.00 -2.34 114.58 113.36 1bus h GLU 9 Ca 0.07 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1bus h GLU 9 Cb 0.40 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1bus h GLU 9 CO -0.00 0.64 0.07 1.97 -1.40 0.00 0.00 179.01 180.29 1bus n PHE 10 N -4.52 0.83 -0.68 4.33 -1.74 -0.94 -4.35 117.46 110.39 1bus n PHE 10 Ca 0.15 -0.48 -0.16 0.00 -0.56 0.00 0.00 57.45 56.39 1bus n PHE 10 Cb 0.26 -0.32 0.06 0.00 1.52 0.00 0.00 39.48 41.00 1bus n PHE 10 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1bus n LYS 11 N 0.12 1.81 0.00 3.97 3.00 -0.88 -4.79 118.16 121.39 1bus n LYS 11 Ca 0.13 -1.68 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 1bus n LYS 11 Cb 0.69 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1bus n LYS 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1bus n ASP 12 N 0.03 0.00 0.00 3.14 8.00 -1.26 -5.01 116.55 121.44 1bus n ASP 12 Ca 0.32 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1bus n ASP 12 Cb 0.76 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1bus n ASP 12 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1bus n PRO 13 N -1.83 1.76 0.00 -0.24 -0.04 -1.26 -5.15 135.00 128.24 1bus n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bus n PRO 13 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bus n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1bus n LYS 14 N 0.00 0.00 -3.66 0.54 0.00 -1.26 -5.12 118.16 108.66 1bus n LYS 14 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1bus n LYS 14 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1bus n LYS 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1bus s VAL 15 N -1.61 -0.57 0.23 3.15 1.01 -1.26 -5.17 120.40 116.18 1bus s VAL 15 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1bus s VAL 15 Cb 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.62 1bus s VAL 15 CO 0.00 0.03 0.30 0.00 0.00 0.00 0.00 175.10 175.44 1bus n TYR 16 N 5.08 -3.94 -4.56 5.22 9.36 -1.26 -5.07 117.16 121.98 1bus n TYR 16 Ca -0.14 -0.27 -0.26 0.00 3.32 0.00 0.00 57.90 60.56 1bus n TYR 16 Cb 0.52 -0.24 -0.10 0.00 -0.63 0.00 0.00 39.34 38.88 1bus n TYR 16 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bus n THR 18 N -0.88 -0.65 0.00 0.00 5.66 -1.26 -4.82 114.28 112.33 1bus n THR 18 Ca -0.05 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1bus n THR 18 Cb 0.67 -1.05 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 1bus n THR 18 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1bus n ARG 19 N -4.26 0.00 -2.52 1.09 3.00 -1.26 -5.03 116.66 107.68 1bus n ARG 19 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 1bus n ARG 19 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1bus n ARG 19 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1bus n GLU 20 N 0.00 3.38 -2.57 -0.14 -0.00 -1.26 -4.64 120.64 115.41 1bus n GLU 20 Ca 0.00 -3.50 -0.00 0.00 -0.00 0.00 0.00 57.16 53.66 1bus n GLU 20 Cb 0.00 -3.09 0.06 0.00 -0.00 0.00 0.00 31.44 28.41 1bus n GLU 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1bus n SER 21 N 5.37 0.74 -1.32 -1.84 7.64 -1.26 -5.00 113.62 117.94 1bus n SER 21 Ca 0.41 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 58.23 1bus n SER 21 Cb 0.40 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1bus n SER 21 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bus n ASN 22 N -0.66 -4.18 -4.79 6.43 0.23 -1.26 -1.69 115.26 109.33 1bus n ASN 22 Ca 0.00 0.71 -0.36 0.00 -0.53 0.00 0.00 54.58 54.40 1bus n ASN 22 Cb 0.85 -3.26 -0.06 0.00 -2.08 0.00 0.00 39.78 35.23 1bus n ASN 22 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1bus s PRO 23 N -3.74 4.47 -0.08 -0.53 0.05 -1.24 -3.59 135.00 130.34 1bus s PRO 23 Ca 0.00 1.21 -0.20 0.00 0.05 0.00 0.00 61.00 62.06 1bus s PRO 23 Cb 0.00 -2.72 0.04 0.00 0.05 0.00 0.00 34.50 31.87 1bus s PRO 23 CO 0.00 0.26 0.47 -3.38 0.05 0.00 0.00 177.00 174.40 1bus s HIS 24 N -1.68 -0.43 0.26 0.56 -3.43 -0.57 -4.21 115.29 105.80 1bus s HIS 24 Ca 0.51 0.84 -0.30 0.00 -0.80 0.00 0.00 55.06 55.31 1bus s HIS 24 Cb -0.17 0.21 -0.09 0.00 -1.43 0.00 0.00 32.58 31.10 1bus s HIS 24 CO 0.22 -0.41 1.04 0.00 -2.00 0.00 0.00 174.74 173.58 1bus s GLY 26 N -0.98 1.79 -1.27 0.00 0.00 -0.57 -2.76 107.32 103.53 1bus s GLY 26 Ca 0.43 -1.06 -0.15 0.00 0.00 0.00 0.00 44.72 43.94 1bus s GLY 26 CO 0.38 -1.06 1.64 -1.14 0.00 0.00 0.00 173.10 172.92 1bus n SER 27 N -0.32 5.02 0.08 1.64 3.41 0.14 -3.57 113.62 120.03 1bus n SER 27 Ca -0.07 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1bus n SER 27 Cb 0.54 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 1bus n SER 27 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bus n ASN 28 N 6.56 -1.48 0.00 4.04 4.05 -1.26 -4.62 115.26 122.56 1bus n ASN 28 Ca 0.43 0.32 0.00 0.00 0.45 0.00 0.00 54.58 55.78 1bus n ASN 28 Cb 0.43 1.69 0.00 0.00 1.23 0.00 0.00 39.78 43.13 1bus n ASN 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bus n GLY 29 N -1.48 0.00 3.69 8.20 0.00 -1.23 -5.18 105.19 109.19 1bus n GLY 29 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1bus n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bus s GLU 30 N 0.00 1.59 -0.44 1.61 2.12 -1.26 -5.01 118.70 117.31 1bus s GLU 30 Ca 0.00 -0.79 -0.21 0.00 0.36 0.00 0.00 54.97 54.33 1bus s GLU 30 Cb 0.00 0.60 0.02 0.00 0.26 0.00 0.00 34.13 35.02 1bus s GLU 30 CO 0.00 -0.72 0.67 0.99 -0.54 0.00 0.00 175.26 175.66 1bus s THR 31 N -3.86 4.80 0.34 -1.70 2.01 -1.26 -1.51 115.64 114.46 1bus s THR 31 Ca 0.07 0.18 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1bus s THR 31 Cb -0.04 -4.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.15 1bus s THR 31 CO -0.01 -0.61 0.96 -0.31 -0.69 0.00 0.00 174.62 173.96 1bus s TYR 32 N 2.90 3.62 0.00 4.92 1.51 0.15 -4.91 117.35 125.54 1bus s TYR 32 Ca 0.24 1.76 0.00 0.00 -1.01 0.00 0.00 57.07 58.05 1bus s TYR 32 Cb -0.14 -2.96 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1bus s TYR 32 CO 0.20 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 175.11 1bus n GLY 33 N 0.50 -3.15 2.75 0.71 0.00 -1.26 -1.51 105.19 103.23 1bus n GLY 33 Ca 0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1bus n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bus n ASN 34 N 0.00 0.99 -0.12 1.61 5.03 -1.24 -3.25 115.26 118.28 1bus n ASN 34 Ca 0.00 -1.82 -0.10 0.00 0.87 0.00 0.00 54.58 53.53 1bus n ASN 34 Cb 0.00 -0.45 -0.02 0.00 -1.02 0.00 0.00 39.78 38.30 1bus n ASN 34 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1bus h LYS 35 N 0.00 0.56 0.74 3.52 3.64 -1.50 0.17 116.57 123.70 1bus h LYS 35 Ca -0.23 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 1bus h LYS 35 Cb 0.87 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1bus h LYS 35 CO 0.25 0.58 -0.36 0.00 -2.27 0.00 0.00 179.45 177.65 1bus h ALA 37 N -0.73 1.60 0.47 0.00 0.00 -1.91 0.21 119.26 118.90 1bus h ALA 37 Ca -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1bus h ALA 37 Cb 0.77 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1bus h ALA 37 CO 0.16 0.19 -0.23 0.35 0.00 0.00 0.00 179.25 179.72 1bus h PHE 38 N 0.93 -0.59 -0.35 0.00 3.57 -0.16 -0.08 116.94 120.26 1bus h PHE 38 Ca 0.45 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.97 1bus h PHE 38 Cb 0.46 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1bus h PHE 38 CO -0.00 -0.36 0.16 0.00 -2.23 0.00 0.00 178.31 175.88 1bus h LYS 40 N 0.34 0.62 0.40 0.00 1.79 -0.62 0.27 116.57 119.37 1bus h LYS 40 Ca 0.15 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1bus h LYS 40 Cb 0.08 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1bus h LYS 40 CO -0.12 0.41 -0.19 0.00 -1.08 0.00 0.00 179.45 178.47 1bus h ALA 41 N 1.61 -0.54 -1.46 3.86 0.00 -0.06 -3.22 119.26 119.45 1bus h ALA 41 Ca 0.52 -0.17 0.43 0.00 0.00 0.00 0.00 54.91 55.70 1bus h ALA 41 Cb 0.81 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1bus h ALA 41 CO -0.40 -0.55 1.02 0.28 0.00 0.00 0.00 179.25 179.61 1bus h VAL 42 N -1.05 0.22 -0.21 0.00 2.07 0.07 -1.06 116.25 116.29 1bus h VAL 42 Ca -0.06 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1bus h VAL 42 Cb 0.51 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1bus h VAL 42 CO 0.09 0.01 -0.33 0.00 0.02 0.00 0.00 177.57 177.37 1bus h MET 43 N 0.06 -0.34 0.00 1.57 3.00 -0.98 -3.34 114.93 114.90 1bus h MET 43 Ca 0.75 0.02 0.00 0.00 0.00 0.00 0.00 59.70 60.47 1bus h MET 43 Cb 2.75 0.08 0.00 0.00 0.00 0.00 0.00 31.60 34.43 1bus h MET 43 CO -0.14 -0.23 -0.25 -0.22 0.00 0.00 0.00 176.91 176.08 1bus h LYS 44 N -0.35 0.00 0.00 -0.10 3.64 -1.42 -3.46 116.57 114.88 1bus h LYS 44 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1bus h LYS 44 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1bus h LYS 44 CO -0.41 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.22 1bus n SER 45 N -3.61 0.00 0.00 4.20 2.88 -0.55 -4.41 113.62 112.13 1bus n SER 45 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1bus n SER 45 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1bus n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bus n GLY 46 N 0.00 0.08 0.00 0.46 0.00 -1.26 -5.09 105.19 99.38 1bus n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bus n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bus n GLY 47 N 0.00 1.77 1.61 -0.02 0.00 -1.26 -5.11 105.19 102.18 1bus n GLY 47 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1bus n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bus n LYS 48 N 0.00 -1.31 -2.76 1.61 4.76 -1.26 -5.03 118.16 114.18 1bus n LYS 48 Ca 0.00 1.33 -0.10 0.00 -2.87 0.00 0.00 58.31 56.67 1bus n LYS 48 Cb 0.00 -1.90 0.03 0.00 -1.84 0.00 0.00 35.03 31.32 1bus n LYS 48 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1bus n ILE 49 N 0.47 0.68 -0.89 -0.18 -0.00 -1.26 -4.91 119.36 113.27 1bus n ILE 49 Ca -0.07 -3.15 -0.30 0.00 -0.00 0.00 0.00 62.75 59.23 1bus n ILE 49 Cb 0.10 0.55 0.18 0.00 -0.00 0.00 0.00 39.64 40.47 1bus n ILE 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1bus s ASN 50 N -2.80 2.66 0.28 4.38 0.01 -1.26 -4.36 114.94 113.84 1bus s ASN 50 Ca 0.29 1.69 0.07 0.00 -0.71 0.00 0.00 52.86 54.19 1bus s ASN 50 Cb 0.43 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 1bus s ASN 50 CO 0.01 -3.18 0.28 -1.48 -1.51 0.00 0.00 177.10 171.21 1bus s LEU 51 N -6.59 3.87 0.00 0.60 0.05 -1.26 0.28 118.68 115.63 1bus s LEU 51 Ca 0.66 -0.25 0.00 0.00 0.05 0.00 0.00 54.13 54.59 1bus s LEU 51 Cb -0.21 -2.45 0.00 0.00 -2.05 0.00 0.00 46.19 41.48 1bus s LEU 51 CO 0.59 -0.16 0.00 0.29 -0.55 0.00 0.00 176.35 176.52 1bus n LYS 52 N -1.31 0.00 -3.02 1.48 5.02 -1.11 -4.92 118.16 114.29 1bus n LYS 52 Ca -0.06 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.88 1bus n LYS 52 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.53 1bus n LYS 52 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1bus s HIS 53 N 0.00 3.54 -0.55 2.13 -3.43 -1.26 -4.90 115.29 110.82 1bus s HIS 53 Ca 0.00 1.44 -0.21 0.00 -0.80 0.00 0.00 55.06 55.49 1bus s HIS 53 Cb 0.00 -2.68 0.06 0.00 -1.43 0.00 0.00 32.58 28.53 1bus s HIS 53 CO 0.00 0.19 0.76 0.50 -2.00 0.00 0.00 174.74 174.19 1bus s ARG 54 N -2.42 3.17 0.00 -0.38 3.00 -1.26 -0.70 118.95 120.35 1bus s ARG 54 Ca 0.50 -0.77 0.00 0.00 -1.00 0.00 0.00 55.73 54.46 1bus s ARG 54 Cb -0.14 -4.12 0.00 0.00 0.00 0.00 0.00 34.95 30.68 1bus s ARG 54 CO 0.19 -1.40 0.00 0.41 0.00 0.00 0.00 175.30 174.50 1bus n GLY 55 N 5.19 0.83 3.68 8.12 0.00 -1.26 -4.95 105.19 116.80 1bus n GLY 55 Ca -0.04 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1bus n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bus s LYS 56 N -1.45 4.27 0.00 1.61 -2.85 -1.26 -3.35 119.74 116.70 1bus s LYS 56 Ca 0.00 1.98 0.15 0.00 -1.00 0.00 0.00 55.97 57.11 1bus s LYS 56 Cb 0.00 -3.63 0.92 0.00 -2.06 0.00 0.00 37.83 33.07 1bus s LYS 56 CO 0.00 -0.62 1.34 0.00 0.10 0.00 0.00 175.35 176.17