#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 -2.93 -4.39 4.61 0.00 -1.26 -5.16 120.51 111.39 1bus n ALA 3 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 53.44 52.66 1bus n ALA 3 Cb 0.00 -2.89 -0.07 0.00 0.00 0.00 0.00 19.45 16.48 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 0.68 0.51 -3.78 0.00 -0.00 -1.26 -5.15 117.38 108.39 1bus n GLN 4 Ca -0.03 -3.39 -0.37 0.00 -0.00 0.00 0.00 57.00 53.21 1bus n GLN 4 Cb 0.74 2.18 -0.06 0.00 -0.00 0.00 0.00 30.24 33.10 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 -3.18 5.37 -0.48 -0.39 1.01 -1.26 -5.04 120.40 116.43 1bus s VAL 5 Ca 0.27 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.68 1bus s VAL 5 Cb 0.01 -3.49 0.19 0.00 0.00 0.00 0.00 36.38 33.09 1bus s VAL 5 CO 0.19 0.58 0.69 -0.62 0.00 0.00 0.00 175.10 175.94 1bus s ASP 6 N -1.12 -1.35 -0.20 3.32 2.15 -1.26 -4.98 116.67 113.23 1bus s ASP 6 Ca 0.18 -1.51 0.16 0.00 0.43 0.00 0.00 52.55 51.81 1bus s ASP 6 Cb -0.13 1.83 0.50 0.00 -0.30 0.00 0.00 42.92 44.82 1bus s ASP 6 CO 0.08 -0.09 1.40 0.00 -0.17 0.00 0.00 175.17 176.39 1bus h ALA 8 N 1.45 0.30 0.00 0.00 0.00 -2.00 -3.35 119.26 115.66 1bus h ALA 8 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1bus h ALA 8 Cb 1.45 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1bus h ALA 8 CO 0.23 0.82 0.00 0.39 0.00 0.00 0.00 179.25 180.70 1bus n GLU 9 N -4.25 0.46 0.18 0.00 4.71 -1.26 -2.70 120.64 117.79 1bus n GLU 9 Ca -0.32 0.05 0.08 0.00 -0.01 0.00 0.00 57.16 56.96 1bus n GLU 9 Cb 0.75 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.79 1bus n GLU 9 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1bus h PHE 10 N 0.00 0.00 0.12 -0.32 3.57 -1.80 -3.33 116.94 115.18 1bus h PHE 10 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1bus h PHE 10 Cb 0.15 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1bus h PHE 10 CO 0.00 0.19 -0.43 -0.22 -2.23 0.00 0.00 178.31 175.62 1bus h LYS 11 N 0.00 -0.61 -6.60 1.11 1.63 -1.70 -3.42 116.57 106.98 1bus h LYS 11 Ca -0.01 0.04 -0.48 0.00 -0.85 0.00 0.00 60.65 59.36 1bus h LYS 11 Cb 1.15 0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.93 1bus h LYS 11 CO 0.02 -0.41 -0.13 -0.51 -3.45 0.00 0.00 179.45 174.97 1bus s ASP 12 N -4.22 6.29 -0.22 4.20 1.11 -1.25 -3.33 116.67 119.24 1bus s ASP 12 Ca -0.13 0.54 -0.07 0.00 0.18 0.00 0.00 52.55 53.06 1bus s ASP 12 Cb 0.05 -2.07 -0.03 0.00 1.07 0.00 0.00 42.92 41.93 1bus s ASP 12 CO 0.49 -0.35 0.06 -2.16 1.18 0.00 0.00 175.17 174.40 1bus s PRO 13 N -4.39 3.78 -1.29 8.23 0.04 -1.26 -4.82 135.00 135.28 1bus s PRO 13 Ca 0.41 -0.43 -0.08 0.00 0.04 0.00 0.00 61.00 60.94 1bus s PRO 13 Cb -0.10 -3.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 1bus s PRO 13 CO 0.38 0.01 0.61 1.63 0.04 0.00 0.00 177.00 179.66 1bus n LYS 14 N 4.34 -2.76 -3.98 4.56 4.76 -1.26 -4.95 118.16 118.87 1bus n LYS 14 Ca -0.16 0.46 -0.31 0.00 -2.87 0.00 0.00 58.31 55.43 1bus n LYS 14 Cb 0.52 -4.47 -0.15 0.00 -1.84 0.00 0.00 35.03 29.08 1bus n LYS 14 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bus s VAL 15 N -3.72 2.05 0.00 -0.18 1.01 -1.21 -5.10 120.40 113.24 1bus s VAL 15 Ca 0.18 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1bus s VAL 15 Cb -0.07 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1bus s VAL 15 CO 0.87 -0.59 0.00 -1.22 0.00 0.00 0.00 175.10 174.15 1bus n TYR 16 N 4.35 -2.30 -2.69 5.22 4.01 -1.26 -4.82 117.16 119.68 1bus n TYR 16 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 1bus n TYR 16 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.46 1bus n TYR 16 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bus n THR 18 N 0.69 0.00 -2.76 0.00 -2.24 -1.26 -4.50 114.28 104.21 1bus n THR 18 Ca 0.41 0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 62.00 1bus n THR 18 Cb 0.29 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1bus n THR 18 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1bus n ARG 19 N -1.32 5.13 -0.78 -0.78 3.00 -1.26 -5.03 116.66 115.63 1bus n ARG 19 Ca 0.00 -4.64 -0.32 0.00 -0.00 0.00 0.00 57.85 52.90 1bus n ARG 19 Cb 0.00 -2.48 0.11 0.00 0.00 0.00 0.00 32.46 30.09 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 0.38 -1.05 -3.21 -0.14 0.00 -1.26 -4.88 120.64 110.48 1bus n GLU 20 Ca 0.40 -0.30 -0.42 0.00 0.00 0.00 0.00 57.16 56.84 1bus n GLU 20 Cb 0.28 -1.38 -0.01 0.00 0.00 0.00 0.00 31.44 30.34 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 0.47 5.75 -3.99 -1.84 7.64 -1.26 -4.89 113.62 115.50 1bus n SER 21 Ca 0.00 -3.24 -0.33 0.00 1.01 0.00 0.00 58.87 56.30 1bus n SER 21 Cb 0.62 -1.26 0.04 0.00 -1.01 0.00 0.00 64.21 62.59 1bus n SER 21 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bus n ASN 22 N 1.91 -2.83 -0.10 6.43 5.03 -1.20 -2.09 115.26 122.42 1bus n ASN 22 Ca 0.25 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.68 1bus n ASN 22 Cb 0.36 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1bus n ASN 22 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1bus n PRO 23 N 1.91 0.00 -3.60 3.52 -0.02 -0.66 -4.80 135.00 131.35 1bus n PRO 23 Ca -0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.32 1bus n PRO 23 Cb 0.65 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.07 1bus n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1bus s HIS 24 N 0.00 -0.75 0.41 6.00 -3.43 -0.41 -1.99 115.29 115.12 1bus s HIS 24 Ca 0.00 1.68 -0.07 0.00 -0.80 0.00 0.00 55.06 55.87 1bus s HIS 24 Cb 0.00 0.31 0.10 0.00 -1.43 0.00 0.00 32.58 31.57 1bus s HIS 24 CO 0.00 -0.44 0.29 0.00 -2.00 0.00 0.00 174.74 172.59 1bus n GLY 26 N -0.74 0.34 0.64 0.00 0.00 0.38 -4.34 105.19 101.47 1bus n GLY 26 Ca 0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 1bus n GLY 26 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bus n SER 27 N 0.00 0.94 0.10 1.61 2.88 0.13 -4.65 113.62 114.62 1bus n SER 27 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1bus n SER 27 Cb 0.00 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1bus n SER 27 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bus n ASN 28 N -3.40 -1.82 -2.07 -3.46 5.15 -0.09 -2.27 115.26 107.30 1bus n ASN 28 Ca -0.04 0.42 -0.03 0.00 -0.60 0.00 0.00 54.58 54.33 1bus n ASN 28 Cb 0.14 1.94 0.05 0.00 -0.53 0.00 0.00 39.78 41.38 1bus n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bus n GLY 29 N -1.43 1.48 3.40 8.20 0.00 -1.15 -2.83 105.19 112.87 1bus n GLY 29 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.14 1.67 0.12 1.61 2.12 -1.26 -5.03 118.70 117.79 1bus s GLU 30 Ca 0.08 -1.96 -0.27 0.00 0.36 0.00 0.00 54.97 53.17 1bus s GLU 30 Cb 0.29 -0.41 -0.07 0.00 0.26 0.00 0.00 34.13 34.20 1bus s GLU 30 CO -0.08 -0.39 0.85 0.99 -0.54 0.00 0.00 175.26 176.09 1bus s THR 31 N -3.46 4.49 0.25 -1.70 2.01 -1.26 -0.98 115.64 114.99 1bus s THR 31 Ca 0.33 1.84 0.05 0.00 0.31 0.00 0.00 61.69 64.22 1bus s THR 31 Cb 0.05 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1bus s THR 31 CO 0.16 0.40 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.99 1bus s TYR 32 N -0.42 1.72 0.00 4.92 5.04 0.41 -4.83 117.35 124.18 1bus s TYR 32 Ca 0.41 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 54.22 1bus s TYR 32 Cb -0.23 -0.98 0.00 0.00 0.35 0.00 0.00 41.96 41.10 1bus s TYR 32 CO 0.27 0.11 0.00 0.41 -1.34 0.00 0.00 175.55 175.00 1bus n GLY 33 N -0.48 0.65 3.66 8.97 0.00 -1.26 -1.29 105.19 115.44 1bus n GLY 33 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1bus n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bus s ASN 34 N -1.00 6.51 0.27 1.61 0.02 -1.26 -1.65 114.94 119.44 1bus s ASN 34 Ca 0.00 0.61 -0.00 0.00 -1.02 0.00 0.00 52.86 52.44 1bus s ASN 34 Cb 0.00 -2.27 0.54 0.00 0.02 0.00 0.00 41.25 39.54 1bus s ASN 34 CO 0.00 -0.15 1.78 0.50 0.02 0.00 0.00 177.10 179.26 1bus h LYS 35 N 7.45 0.71 -0.39 -0.60 3.64 -1.73 0.43 116.57 126.08 1bus h LYS 35 Ca -0.34 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1bus h LYS 35 Cb 1.16 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1bus h LYS 35 CO 0.73 0.47 0.24 0.00 -2.27 0.00 0.00 179.45 178.62 1bus h ALA 37 N 1.16 -1.14 -0.88 0.00 0.00 -0.77 -0.89 119.26 116.74 1bus h ALA 37 Ca 0.15 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 55.14 1bus h ALA 37 Cb -0.02 0.42 -0.15 0.00 0.00 0.00 0.00 17.79 18.05 1bus h ALA 37 CO -0.06 -1.11 0.18 0.35 0.00 0.00 0.00 179.25 178.61 1bus h PHE 38 N -0.76 0.24 0.30 0.00 3.57 -0.28 0.22 116.94 120.23 1bus h PHE 38 Ca -0.07 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1bus h PHE 38 Cb 0.61 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1bus h PHE 38 CO -0.02 -0.26 -0.14 0.00 -2.23 0.00 0.00 178.31 175.66 1bus h LYS 40 N -0.56 0.00 0.00 0.00 3.64 -0.71 0.49 116.57 119.43 1bus h LYS 40 Ca -0.04 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 1bus h LYS 40 Cb 0.30 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1bus h LYS 40 CO 0.07 0.00 -1.18 0.00 -2.27 0.00 0.00 179.45 176.07 1bus n ALA 41 N -2.15 0.74 0.19 5.00 0.00 0.74 -4.33 120.51 120.70 1bus n ALA 41 Ca 0.02 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 52.96 1bus n ALA 41 Cb 0.44 -0.24 0.19 0.00 0.00 0.00 0.00 19.45 19.84 1bus n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bus h VAL 42 N -1.00 0.50 -0.51 0.00 2.07 -1.15 -3.07 116.25 113.09 1bus h VAL 42 Ca -0.26 -1.55 0.10 0.00 0.82 0.00 0.00 66.70 65.82 1bus h VAL 42 Cb 1.07 2.12 -0.09 0.00 -1.52 0.00 0.00 31.29 32.87 1bus h VAL 42 CO -0.16 0.26 -0.02 -0.03 0.02 0.00 0.00 177.57 177.64 1bus h MET 43 N 0.00 0.09 -2.67 1.57 -1.53 -0.09 0.94 114.93 113.23 1bus h MET 43 Ca -0.00 -0.01 -0.78 0.00 -3.44 0.00 0.00 59.70 55.47 1bus h MET 43 Cb 1.10 -0.02 -0.21 0.00 -0.55 0.00 0.00 31.60 31.92 1bus h MET 43 CO 0.04 0.06 1.52 1.17 0.14 0.00 0.00 176.91 179.83 1bus n LYS 44 N -5.26 4.75 -0.00 0.39 0.00 -1.16 -4.68 118.16 112.20 1bus n LYS 44 Ca 0.06 -4.14 -0.13 0.00 0.00 0.00 0.00 58.31 54.10 1bus n LYS 44 Cb 0.28 -2.59 -0.10 0.00 0.00 0.00 0.00 35.03 32.62 1bus n LYS 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bus h SER 45 N 4.80 -0.05 0.00 3.14 4.64 0.85 -3.48 113.55 123.45 1bus h SER 45 Ca 0.49 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1bus h SER 45 Cb 0.42 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1bus h SER 45 CO 1.36 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 178.45 1bus n GLY 46 N 0.49 2.50 0.00 -0.77 0.00 -1.26 -4.82 105.19 101.34 1bus n GLY 46 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.13 0.00 -0.02 0.00 -1.26 -5.14 105.19 98.64 1bus n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bus n GLY 47 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bus n LYS 48 N -0.69 0.00 -3.10 1.61 -0.00 -1.26 -5.16 118.16 109.55 1bus n LYS 48 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1bus n LYS 48 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 1bus n LYS 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1bus s ILE 49 N -1.63 4.14 -0.09 0.58 1.01 -1.26 -4.71 121.20 119.24 1bus s ILE 49 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1bus s ILE 49 Cb 0.00 -3.51 0.11 0.00 0.01 0.00 0.00 42.46 39.07 1bus s ILE 49 CO 0.00 -0.33 0.90 0.21 0.00 0.00 0.00 174.94 175.72 1bus s ASN 50 N -4.19 -0.42 0.01 3.58 3.84 -0.96 -4.74 114.94 112.05 1bus s ASN 50 Ca 0.47 0.33 -0.00 0.00 0.21 0.00 0.00 52.86 53.87 1bus s ASN 50 Cb -0.10 0.37 0.00 0.00 -0.55 0.00 0.00 41.25 40.98 1bus s ASN 50 CO 0.37 -0.48 0.00 -0.11 -2.79 0.00 0.00 177.10 174.09 1bus n LEU 51 N 0.46 -2.84 -2.86 3.21 -0.00 -1.13 -0.70 117.00 113.15 1bus n LEU 51 Ca -0.11 1.79 -0.22 0.00 -0.00 0.00 0.00 56.01 57.47 1bus n LEU 51 Cb 0.59 -2.25 -0.02 0.00 -0.00 0.00 0.00 43.42 41.74 1bus n LEU 51 CO 0.16 -2.13 0.01 2.29 -0.00 0.00 0.00 177.39 177.72 1bus n LYS 52 N 1.94 2.32 -0.99 1.96 0.00 -1.26 0.14 118.16 122.27 1bus n LYS 52 Ca -0.00 -4.12 -0.15 0.00 -0.00 0.00 0.00 58.31 54.04 1bus n LYS 52 Cb 0.00 -1.93 0.11 0.00 -0.00 0.00 0.00 35.03 33.21 1bus n LYS 52 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1bus n HIS 53 N -0.13 -4.00 -0.91 5.58 -0.00 -1.26 -4.52 115.22 109.99 1bus n HIS 53 Ca 0.27 -0.61 -0.36 0.00 0.46 0.00 0.00 57.72 57.48 1bus n HIS 53 Cb 0.60 -0.53 0.07 0.00 -0.12 0.00 0.00 29.99 30.01 1bus n HIS 53 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1bus n ARG 54 N -2.47 -0.35 0.00 1.57 0.00 -1.26 -1.01 116.66 113.14 1bus n ARG 54 Ca 0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1bus n ARG 54 Cb 0.30 -1.27 0.00 0.00 -0.00 0.00 0.00 32.46 31.49 1bus n ARG 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bus n GLY 55 N 2.90 0.00 3.59 2.89 0.00 -0.84 -3.21 105.19 110.52 1bus n GLY 55 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bus n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bus s LYS 56 N 0.00 2.98 0.00 1.61 1.02 -1.26 -3.68 119.74 120.40 1bus s LYS 56 Ca 0.00 1.87 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1bus s LYS 56 Cb 0.00 -4.39 0.00 0.00 -0.52 0.00 0.00 37.83 32.92 1bus s LYS 56 CO 0.00 -2.28 0.35 0.00 -0.92 0.00 0.00 175.35 172.50