#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bus n ALA 3 N 0.00 -2.53 -4.34 4.61 0.00 -1.26 -5.09 120.51 111.91 2bus n ALA 3 Ca 0.00 0.57 -0.24 0.00 0.00 0.00 0.00 53.44 53.77 2bus n ALA 3 Cb 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 2bus n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bus n GLN 4 N -3.62 0.54 -2.46 0.00 0.00 -1.26 -5.09 117.38 105.48 2bus n GLN 4 Ca -0.05 -3.17 -0.40 0.00 0.00 0.00 0.00 57.00 53.37 2bus n GLN 4 Cb 0.46 1.96 -0.03 0.00 0.00 0.00 0.00 30.24 32.62 2bus n GLN 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2bus s VAL 5 N -3.05 3.68 0.19 -0.39 1.01 -1.26 -4.99 120.40 115.59 2bus s VAL 5 Ca 0.24 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 2bus s VAL 5 Cb 0.01 -4.77 -0.06 0.00 0.00 0.00 0.00 36.38 31.56 2bus s VAL 5 CO 0.17 -1.71 0.45 -1.81 0.00 0.00 0.00 175.10 172.20 2bus s ASP 6 N 4.65 6.53 0.00 3.32 1.11 -1.26 -4.95 116.67 126.06 2bus s ASP 6 Ca 0.42 0.70 0.00 0.00 0.18 0.00 0.00 52.55 53.85 2bus s ASP 6 Cb -0.08 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 41.78 2bus s ASP 6 CO 0.12 -0.01 0.00 0.00 1.18 0.00 0.00 175.17 176.46 2bus h ALA 8 N -2.00 2.92 -1.24 0.00 0.00 -1.97 -2.93 119.26 114.04 2bus h ALA 8 Ca 0.00 0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.30 2bus h ALA 8 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2bus h ALA 8 CO 0.00 -1.41 0.94 0.93 0.00 0.00 0.00 179.25 179.71 2bus h GLU 9 N 0.12 0.00 -0.74 0.00 3.07 -2.02 -1.58 114.58 113.44 2bus h GLU 9 Ca 0.73 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.43 2bus h GLU 9 Cb 2.46 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 30.28 2bus h GLU 9 CO -0.22 0.00 0.20 1.97 -1.40 0.00 0.00 179.01 179.56 2bus n PHE 10 N -4.02 2.26 -0.48 4.33 -1.74 -1.10 -4.69 117.46 112.00 2bus n PHE 10 Ca 0.27 -1.03 -0.12 0.00 -0.56 0.00 0.00 57.45 56.00 2bus n PHE 10 Cb 1.34 -0.62 0.05 0.00 1.52 0.00 0.00 39.48 41.77 2bus n PHE 10 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 2bus n LYS 11 N 0.06 1.62 0.11 3.97 3.00 -0.59 -4.66 118.16 121.66 2bus n LYS 11 Ca 0.36 -1.29 -0.13 0.00 -0.00 0.00 0.00 58.31 57.24 2bus n LYS 11 Cb 1.29 -1.51 -0.06 0.00 0.00 0.00 0.00 35.03 34.75 2bus n LYS 11 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2bus h ASP 12 N 1.02 -0.97 0.00 3.14 3.32 -1.84 -3.48 116.42 117.61 2bus h ASP 12 Ca 0.25 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2bus h ASP 12 Cb 1.25 0.37 0.00 0.00 0.22 0.00 0.00 39.33 41.17 2bus h ASP 12 CO 0.57 -0.42 0.00 -0.81 -1.72 0.00 0.00 179.24 176.86 2bus n PRO 13 N -5.43 0.00 -2.47 3.56 -0.04 -1.26 -5.12 135.00 124.24 2bus n PRO 13 Ca -0.07 0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.26 2bus n PRO 13 Cb 0.34 -0.39 -0.01 0.00 -0.04 0.00 0.00 33.50 33.41 2bus n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bus n LYS 14 N -1.98 -2.09 -3.67 0.54 4.76 -1.26 -5.00 118.16 109.46 2bus n LYS 14 Ca 0.00 0.89 -0.19 0.00 -2.87 0.00 0.00 58.31 56.14 2bus n LYS 14 Cb 0.00 -5.56 -0.17 0.00 -1.84 0.00 0.00 35.03 27.46 2bus n LYS 14 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2bus s VAL 15 N -2.94 -0.15 0.13 -0.18 1.01 -1.26 -5.13 120.40 111.87 2bus s VAL 15 Ca 0.03 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 2bus s VAL 15 Cb -0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.09 2bus s VAL 15 CO 0.04 0.16 1.15 -0.47 0.00 0.00 0.00 175.10 175.98 2bus s TYR 16 N 2.20 3.50 0.35 5.22 5.04 -1.26 -5.02 117.35 127.38 2bus s TYR 16 Ca 0.04 1.45 -0.02 0.00 -2.44 0.00 0.00 57.07 56.11 2bus s TYR 16 Cb -0.12 -3.36 -0.04 0.00 0.35 0.00 0.00 41.96 38.79 2bus s TYR 16 CO -0.04 -0.96 0.59 0.00 -1.34 0.00 0.00 175.55 173.80 2bus n THR 18 N -1.58 -4.77 0.00 0.00 5.66 -1.26 -4.84 114.28 107.50 2bus n THR 18 Ca -0.03 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.19 2bus n THR 18 Cb 0.55 -3.69 0.00 0.00 -1.55 0.00 0.00 70.33 65.64 2bus n THR 18 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2bus n ARG 19 N -4.30 0.00 -3.22 1.09 3.00 -1.26 -5.10 116.66 106.87 2bus n ARG 19 Ca -0.17 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.22 2bus n ARG 19 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.04 2bus n ARG 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2bus s GLU 20 N 0.00 3.04 -0.34 -0.14 4.04 -1.26 -4.75 118.70 119.29 2bus s GLU 20 Ca 0.00 -1.57 0.14 0.00 0.04 0.00 0.00 54.97 53.58 2bus s GLU 20 Cb 0.00 -4.30 0.43 0.00 0.02 0.00 0.00 34.13 30.28 2bus s GLU 20 CO 0.00 -1.43 1.38 0.43 -1.84 0.00 0.00 175.26 173.80 2bus n SER 21 N 5.68 -0.83 -1.01 0.83 7.64 -1.26 -4.94 113.62 119.73 2bus n SER 21 Ca -0.11 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2bus n SER 21 Cb 0.41 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 2bus n SER 21 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2bus n ASN 22 N -1.03 -5.88 -4.85 6.43 0.23 -1.26 -3.53 115.26 105.37 2bus n ASN 22 Ca -0.08 0.78 -0.32 0.00 -0.53 0.00 0.00 54.58 54.43 2bus n ASN 22 Cb 0.85 -2.58 -0.06 0.00 -2.08 0.00 0.00 39.78 35.91 2bus n ASN 22 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2bus s PRO 23 N -4.20 3.98 -0.21 -0.53 0.04 -1.22 -4.29 135.00 128.58 2bus s PRO 23 Ca 0.00 0.63 -0.27 0.00 0.04 0.00 0.00 61.00 61.40 2bus s PRO 23 Cb 0.00 -2.44 0.09 0.00 0.04 0.00 0.00 34.50 32.19 2bus s PRO 23 CO 0.00 0.16 0.83 -3.38 0.04 0.00 0.00 177.00 174.65 2bus s HIS 24 N -1.99 -0.62 -0.24 0.56 -3.43 -0.55 -1.16 115.29 107.86 2bus s HIS 24 Ca 0.54 1.37 -0.23 0.00 -0.80 0.00 0.00 55.06 55.93 2bus s HIS 24 Cb -0.10 0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 31.39 2bus s HIS 24 CO 0.18 -0.39 0.78 0.00 -2.00 0.00 0.00 174.74 173.31 2bus s GLY 26 N 1.37 2.25 -1.17 0.00 0.00 -0.30 -2.07 107.32 107.40 2bus s GLY 26 Ca 0.33 -0.49 -0.21 0.00 0.00 0.00 0.00 44.72 44.35 2bus s GLY 26 CO 0.08 -0.38 1.75 -1.35 0.00 0.00 0.00 173.10 173.19 2bus s SER 27 N -2.35 6.17 0.11 1.64 1.04 -0.72 -3.38 113.70 116.21 2bus s SER 27 Ca 0.41 -1.88 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2bus s SER 27 Cb -0.12 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2bus s SER 27 CO 0.23 -1.85 0.00 0.59 0.98 0.00 0.00 173.24 173.19 2bus n ASN 28 N 10.48 -1.01 0.00 7.02 4.13 -1.26 -4.81 115.26 129.81 2bus n ASN 28 Ca 0.44 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.96 2bus n ASN 28 Cb 0.47 1.22 0.00 0.00 -1.54 0.00 0.00 39.78 39.93 2bus n ASN 28 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bus n GLY 29 N -1.36 -0.19 3.62 7.41 0.00 -1.22 -5.18 105.19 108.28 2bus n GLY 29 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2bus n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bus s GLU 30 N 0.00 0.75 -0.63 1.61 2.12 -1.25 -5.07 118.70 116.22 2bus s GLU 30 Ca 0.00 0.77 -0.21 0.00 0.36 0.00 0.00 54.97 55.89 2bus s GLU 30 Cb 0.00 0.36 0.08 0.00 0.26 0.00 0.00 34.13 34.84 2bus s GLU 30 CO 0.00 -0.11 0.86 0.99 -0.54 0.00 0.00 175.26 176.46 2bus s THR 31 N 0.11 4.53 0.31 -1.70 2.01 -1.26 -1.15 115.64 118.49 2bus s THR 31 Ca -0.00 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 61.10 2bus s THR 31 Cb -0.04 -4.61 -0.09 0.00 0.01 0.00 0.00 72.50 67.77 2bus s THR 31 CO -0.00 -1.33 1.01 -0.31 -0.69 0.00 0.00 174.62 173.30 2bus s TYR 32 N 3.50 3.63 0.00 4.92 1.51 0.19 -4.82 117.35 126.28 2bus s TYR 32 Ca 0.18 1.76 0.00 0.00 -1.01 0.00 0.00 57.07 58.00 2bus s TYR 32 Cb -0.20 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.57 2bus s TYR 32 CO 0.08 -0.14 0.44 0.41 -1.11 0.00 0.00 175.55 175.23 2bus n GLY 33 N 0.89 -1.29 3.90 0.71 0.00 -1.26 -1.48 105.19 106.66 2bus n GLY 33 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2bus n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bus s ASN 34 N -2.05 6.13 0.49 1.61 -0.87 -1.26 -3.37 114.94 115.61 2bus s ASN 34 Ca 0.00 0.12 0.15 0.00 -1.57 0.00 0.00 52.86 51.57 2bus s ASN 34 Cb 0.00 -1.80 1.17 0.00 -0.02 0.00 0.00 41.25 40.60 2bus s ASN 34 CO 0.00 0.09 2.08 0.50 -2.57 0.00 0.00 177.10 177.20 2bus h LYS 35 N 2.49 0.17 -0.07 -0.60 3.64 -1.74 -1.83 116.57 118.63 2bus h LYS 35 Ca -0.47 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 2bus h LYS 35 Cb 1.19 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2bus h LYS 35 CO 0.69 0.11 -0.02 0.00 -2.27 0.00 0.00 179.45 177.96 2bus h ALA 37 N 0.65 0.43 -0.72 0.00 0.00 -1.95 0.19 119.26 117.86 2bus h ALA 37 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2bus h ALA 37 Cb 0.44 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2bus h ALA 37 CO 0.01 -0.02 0.40 0.35 0.00 0.00 0.00 179.25 179.99 2bus h PHE 38 N 0.41 0.73 -0.38 0.00 3.57 -1.37 -2.36 116.94 117.54 2bus h PHE 38 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2bus h PHE 38 Cb 0.10 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2bus h PHE 38 CO -0.02 0.33 0.11 0.00 -2.23 0.00 0.00 178.31 176.49 2bus h LYS 40 N 0.47 0.91 -0.06 0.00 1.79 -0.50 -2.42 116.57 116.77 2bus h LYS 40 Ca 0.12 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 2bus h LYS 40 Cb 0.28 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2bus h LYS 40 CO -0.00 0.62 -0.24 0.00 -1.08 0.00 0.00 179.45 178.75 2bus h ALA 41 N 1.54 0.10 -1.04 3.86 0.00 -1.18 -3.26 119.26 119.29 2bus h ALA 41 Ca 0.25 -0.41 0.27 0.00 0.00 0.00 0.00 54.91 55.02 2bus h ALA 41 Cb -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.60 2bus h ALA 41 CO -0.05 0.10 0.64 0.28 0.00 0.00 0.00 179.25 180.22 2bus h VAL 42 N -0.27 0.49 -0.87 0.00 2.07 -0.67 -1.27 116.25 115.74 2bus h VAL 42 Ca -0.01 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.45 2bus h VAL 42 Cb 0.89 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2bus h VAL 42 CO 0.05 0.08 0.56 -0.03 0.02 0.00 0.00 177.57 178.26 2bus h MET 43 N 0.46 0.81 0.00 1.57 -1.53 -1.49 -3.35 114.93 111.40 2bus h MET 43 Ca 0.64 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.85 2bus h MET 43 Cb 1.44 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 32.31 2bus h MET 43 CO -0.41 0.54 0.00 1.17 0.14 0.00 0.00 176.91 178.35 2bus n LYS 44 N -4.53 0.00 0.00 0.39 0.00 -0.48 -4.83 118.16 108.71 2bus n LYS 44 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.46 2bus n LYS 44 Cb 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 35.03 34.94 2bus n LYS 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2bus n SER 45 N -0.47 0.00 0.00 3.14 7.64 -1.20 -4.74 113.62 117.99 2bus n SER 45 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bus n SER 45 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2bus n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bus n GLY 46 N 0.00 -1.50 0.00 0.23 0.00 -1.26 -5.12 105.19 97.55 2bus n GLY 46 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2bus n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bus n GLY 47 N 0.00 -0.18 1.80 -0.02 0.00 -1.26 -5.13 105.19 100.40 2bus n GLY 47 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.66 2bus n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bus n LYS 48 N 0.00 -1.05 -2.99 1.61 4.76 -1.26 -5.03 118.16 114.19 2bus n LYS 48 Ca 0.00 1.18 -0.18 0.00 -2.87 0.00 0.00 58.31 56.45 2bus n LYS 48 Cb 0.00 -2.09 -0.02 0.00 -1.84 0.00 0.00 35.03 31.08 2bus n LYS 48 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2bus n ILE 49 N 0.31 0.75 -1.52 -0.18 -0.00 -1.26 -5.07 119.36 112.40 2bus n ILE 49 Ca -0.06 -4.42 -0.31 0.00 -0.00 0.00 0.00 62.75 57.97 2bus n ILE 49 Cb 0.09 -0.29 0.07 0.00 -0.00 0.00 0.00 39.64 39.51 2bus n ILE 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2bus s ASN 50 N -2.82 4.99 0.69 4.38 0.01 -1.26 -4.41 114.94 116.53 2bus s ASN 50 Ca 0.39 1.56 -0.07 0.00 -0.71 0.00 0.00 52.86 54.03 2bus s ASN 50 Cb 0.37 -2.37 0.05 0.00 0.41 0.00 0.00 41.25 39.71 2bus s ASN 50 CO -0.07 -1.69 1.01 -1.48 -1.51 0.00 0.00 177.10 173.36 2bus s LEU 51 N -5.67 2.86 0.00 0.60 0.05 -1.26 -1.76 118.68 113.50 2bus s LEU 51 Ca 0.59 0.51 0.00 0.00 0.05 0.00 0.00 54.13 55.28 2bus s LEU 51 Cb -0.15 -3.18 0.00 0.00 -2.05 0.00 0.00 46.19 40.81 2bus s LEU 51 CO 0.55 -1.54 0.00 0.29 -0.55 0.00 0.00 176.35 175.10 2bus n LYS 52 N -2.89 0.00 -3.35 1.48 5.02 -0.88 -4.88 118.16 112.66 2bus n LYS 52 Ca 0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 2bus n LYS 52 Cb 0.60 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.55 2bus n LYS 52 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2bus s HIS 53 N -1.01 3.59 0.10 2.13 3.76 -1.26 -4.96 115.29 117.64 2bus s HIS 53 Ca 0.00 1.06 -0.26 0.00 -0.15 0.00 0.00 55.06 55.71 2bus s HIS 53 Cb 0.00 -2.37 -0.06 0.00 1.11 0.00 0.00 32.58 31.26 2bus s HIS 53 CO 0.00 0.41 0.80 1.03 -0.85 0.00 0.00 174.74 176.13 2bus s ARG 54 N -2.02 4.56 5.31 1.40 1.81 -1.26 -1.09 118.95 127.65 2bus s ARG 54 Ca 0.39 1.16 0.00 0.00 -1.72 0.00 0.00 55.73 55.56 2bus s ARG 54 Cb -0.15 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.02 2bus s ARG 54 CO 0.19 0.37 0.00 0.41 -0.68 0.00 0.00 175.30 175.59 2bus n GLY 55 N 2.10 1.75 3.78 -3.53 0.00 -0.31 -4.84 105.19 104.14 2bus n GLY 55 Ca -0.03 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 2bus n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bus s LYS 56 N 0.00 3.52 0.00 1.61 0.00 -1.26 -3.22 119.74 120.40 2bus s LYS 56 Ca 0.00 1.50 0.31 0.00 0.00 0.00 0.00 55.97 57.79 2bus s LYS 56 Cb 0.00 -2.04 1.86 0.00 0.00 0.00 0.00 37.83 37.65 2bus s LYS 56 CO 0.00 -0.69 2.18 0.00 0.00 0.00 0.00 175.35 176.84