#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bmt s THR 3 N 0.00 0.19 -0.12 4.37 -4.23 -1.21 -4.69 115.64 109.95 2bmt s THR 3 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 2bmt s THR 3 Cb 0.00 -2.44 0.42 0.00 1.34 0.00 0.00 72.50 71.82 2bmt s THR 3 CO 0.00 0.00 1.20 -3.20 -0.54 0.00 0.00 174.62 172.08 2bmt n ASN 4 N -1.40 1.43 -4.34 3.99 2.85 -1.26 -4.84 115.26 111.69 2bmt n ASN 4 Ca 0.03 -3.12 -0.27 0.00 -0.11 0.00 0.00 54.58 51.11 2bmt n ASN 4 Cb 0.63 -0.43 -0.13 0.00 1.24 0.00 0.00 39.78 41.09 2bmt n ASN 4 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2bmt s VAL 5 N -1.92 2.01 0.65 3.44 -7.23 -1.26 -5.04 120.40 111.05 2bmt s VAL 5 Ca 0.36 -1.65 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 2bmt s VAL 5 Cb 0.38 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.52 2bmt s VAL 5 CO -0.11 0.03 1.09 -0.55 -0.31 0.00 0.00 175.10 175.24 2bmt s SER 6 N -1.97 5.26 0.17 4.85 0.15 -1.26 -1.14 113.70 119.76 2bmt s SER 6 Ca 0.10 1.90 0.08 0.00 0.70 0.00 0.00 55.95 58.74 2bmt s SER 6 Cb -0.10 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2bmt s SER 6 CO 0.05 -1.52 -0.17 0.00 1.20 0.00 0.00 173.24 172.80 2bmt n SER 8 N 0.14 2.57 0.00 0.00 2.88 -1.26 -4.68 113.62 113.26 2bmt n SER 8 Ca -0.12 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 53.97 2bmt n SER 8 Cb 0.58 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2bmt n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bmt n ALA 9 N -0.74 0.00 -0.01 -1.46 0.00 -1.26 -4.84 120.51 112.20 2bmt n ALA 9 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 2bmt n ALA 9 Cb 0.84 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.37 2bmt n ALA 9 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2bmt h SER 10 N 0.00 0.63 -0.69 0.00 0.02 -1.87 -3.32 113.55 108.32 2bmt h SER 10 Ca 0.00 -0.30 0.10 0.00 -0.84 0.00 0.00 61.79 60.75 2bmt h SER 10 Cb 0.00 -0.18 -0.12 0.00 0.14 0.00 0.00 62.40 62.24 2bmt h SER 10 CO 0.00 1.00 -0.43 0.77 -1.14 0.00 0.00 176.83 177.03 2bmt h SER 11 N 0.47 -1.50 0.46 3.07 4.64 -1.90 0.17 113.55 118.97 2bmt h SER 11 Ca 0.03 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2bmt h SER 11 Cb 0.98 0.70 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2bmt h SER 11 CO 0.09 -0.31 0.00 0.00 -0.87 0.00 0.00 176.83 175.73 2bmt n GLN 12 N -5.41 0.06 0.02 4.77 -0.00 -1.25 -2.37 117.38 113.21 2bmt n GLN 12 Ca 0.04 0.21 -0.05 0.00 -0.00 0.00 0.00 57.00 57.19 2bmt n GLN 12 Cb 0.35 -1.50 -0.11 0.00 -0.00 0.00 0.00 30.24 28.98 2bmt n GLN 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bmt h TRP 14 N 0.00 -1.04 -0.44 0.00 6.55 -1.05 0.24 115.95 120.20 2bmt h TRP 14 Ca -0.17 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.69 2bmt h TRP 14 Cb 1.80 0.42 -0.02 0.00 -0.86 0.00 0.00 29.16 30.51 2bmt h TRP 14 CO 0.00 -0.51 0.29 -1.00 -1.05 0.00 0.00 178.44 176.17 2bmt h PRO 15 N -0.70 0.59 -0.25 0.49 0.13 -1.74 0.12 132.00 130.63 2bmt h PRO 15 Ca -0.00 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 2bmt h PRO 15 Cb 0.67 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2bmt h PRO 15 CO -0.14 0.39 -0.15 0.28 -0.23 0.00 0.00 178.00 178.15 2bmt h VAL 16 N 0.60 1.30 0.00 1.56 2.07 -1.56 -0.59 116.25 119.64 2bmt h VAL 16 Ca 0.16 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 2bmt h VAL 16 Cb -0.07 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2bmt h VAL 16 CO -0.03 0.39 -0.44 0.00 0.02 0.00 0.00 177.57 177.51 2bmt h LYS 18 N 0.00 0.53 -0.26 0.00 3.11 0.29 -0.03 116.57 120.21 2bmt h LYS 18 Ca -0.00 -0.30 -0.15 0.00 -2.81 0.00 0.00 60.65 57.38 2bmt h LYS 18 Cb 0.84 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 2bmt h LYS 18 CO 0.06 0.90 -0.47 1.57 -2.81 0.00 0.00 179.45 178.70 2bmt h LYS 19 N 0.20 0.68 0.39 1.90 2.10 -0.89 -2.21 116.57 118.74 2bmt h LYS 19 Ca 0.02 -0.39 -0.02 0.00 -2.00 0.00 0.00 60.65 58.27 2bmt h LYS 19 Cb 0.83 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 2bmt h LYS 19 CO 0.06 1.00 -0.19 -0.07 -2.00 0.00 0.00 179.45 178.26 2bmt h LEU 20 N 0.54 -0.45 0.00 7.07 3.38 -1.14 -3.42 115.31 121.30 2bmt h LEU 20 Ca 0.03 -0.08 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 2bmt h LEU 20 Cb 1.02 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2bmt h LEU 20 CO 0.10 -0.00 -2.16 0.49 0.09 0.00 0.00 178.44 176.95 2bmt n PHE 21 N -5.14 0.00 0.00 1.13 3.72 -0.14 -5.02 117.46 112.01 2bmt n PHE 21 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2bmt n PHE 21 Cb 0.25 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 2bmt n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bmt n GLY 22 N 2.12 1.89 3.40 1.37 0.00 -0.52 -5.00 105.19 108.45 2bmt n GLY 22 Ca -0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2bmt n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bmt s THR 23 N -1.89 2.90 -0.33 2.61 -4.23 -0.98 -4.84 115.64 108.87 2bmt s THR 23 Ca 0.00 -0.75 0.09 0.00 -1.18 0.00 0.00 61.69 59.85 2bmt s THR 23 Cb 0.00 -2.16 0.61 0.00 1.34 0.00 0.00 72.50 72.29 2bmt s THR 23 CO 0.00 0.56 1.67 0.00 -0.54 0.00 0.00 174.62 176.31 2bmt n TYR 24 N 2.93 1.95 -3.76 3.99 4.19 -1.26 0.62 117.16 125.82 2bmt n TYR 24 Ca -0.18 -1.51 -0.30 0.00 3.31 0.00 0.00 57.90 59.22 2bmt n TYR 24 Cb 0.52 -0.65 -0.14 0.00 0.49 0.00 0.00 39.34 39.56 2bmt n TYR 24 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 2bmt s ARG 25 N -3.16 0.97 0.05 2.98 3.52 -1.26 -4.73 118.95 117.32 2bmt s ARG 25 Ca 0.50 -1.44 0.00 0.00 -0.13 0.00 0.00 55.73 54.66 2bmt s ARG 25 Cb 0.43 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 31.55 2bmt s ARG 25 CO 0.07 -1.03 -0.04 0.20 -0.81 0.00 0.00 175.30 173.68 2bmt s GLY 26 N 1.16 0.48 0.18 8.12 0.00 -1.26 -4.07 107.32 111.94 2bmt s GLY 26 Ca 0.12 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.85 2bmt s GLY 26 CO -0.16 -1.15 -0.13 -1.59 0.00 0.00 0.00 173.10 170.07 2bmt s LYS 27 N -3.13 1.24 -0.32 2.90 -2.85 0.24 -4.42 119.74 113.40 2bmt s LYS 27 Ca 0.01 -1.54 -0.10 0.00 -1.00 0.00 0.00 55.97 53.34 2bmt s LYS 27 Cb 0.02 -0.96 -0.00 0.00 -2.06 0.00 0.00 37.83 34.83 2bmt s LYS 27 CO -0.06 0.15 0.16 0.00 0.10 0.00 0.00 175.35 175.70 2bmt s MET 29 N 1.60 0.87 -0.87 0.00 -1.94 -0.25 -4.82 119.30 113.90 2bmt s MET 29 Ca 0.04 -0.72 -0.21 0.00 -1.71 0.00 0.00 55.69 53.09 2bmt s MET 29 Cb -0.17 -0.86 0.03 0.00 2.01 0.00 0.00 34.83 35.84 2bmt s MET 29 CO 0.06 0.21 0.51 0.27 -0.01 0.00 0.00 175.02 176.07 2bmt n ASN 30 N 1.93 -3.32 -3.06 3.03 6.94 -1.26 0.07 115.26 119.60 2bmt n ASN 30 Ca -0.18 -0.96 -0.14 0.00 -0.02 0.00 0.00 54.58 53.28 2bmt n ASN 30 Cb 0.55 -1.23 -0.03 0.00 -2.36 0.00 0.00 39.78 36.71 2bmt n ASN 30 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2bmt n SER 31 N -1.57 -1.21 -3.97 0.53 3.41 -1.26 -4.90 113.62 104.65 2bmt n SER 31 Ca -0.13 -0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 2bmt n SER 31 Cb 0.46 -1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 2bmt n SER 31 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2bmt s LYS 32 N -5.48 0.51 0.75 4.33 -2.85 0.11 -1.02 119.74 116.09 2bmt s LYS 32 Ca 0.27 -0.79 -0.11 0.00 -1.00 0.00 0.00 55.97 54.33 2bmt s LYS 32 Cb -0.15 0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.85 2bmt s LYS 32 CO 0.33 -0.11 1.08 0.00 0.10 0.00 0.00 175.35 176.74 2bmt s ARG 34 N -4.98 0.52 0.49 0.00 3.52 0.23 -3.36 118.95 115.38 2bmt s ARG 34 Ca 0.60 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.85 2bmt s ARG 34 Cb -0.16 0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.43 2bmt s ARG 34 CO 0.56 -0.13 0.02 0.00 -0.81 0.00 0.00 175.30 174.93 2bmt n TYR 36 N -1.20 0.00 0.00 0.00 4.02 -1.26 -4.49 117.16 114.23 2bmt n TYR 36 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2bmt n TYR 36 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 2bmt n TYR 36 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72