#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crf s LYS 2 N 0.00 3.86 0.02 1.47 1.02 0.23 -2.11 119.74 124.24 1crf s LYS 2 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.66 1crf s LYS 2 Cb 0.00 -3.81 -0.02 0.00 -0.52 0.00 0.00 37.83 33.49 1crf s LYS 2 CO 0.00 -1.00 -0.03 0.00 -0.92 0.00 0.00 175.35 173.39 1crf s ASN 4 N -1.24 6.34 -0.41 0.00 0.01 -1.26 -1.32 114.94 117.06 1crf s ASN 4 Ca -0.12 0.22 -0.15 0.00 -0.71 0.00 0.00 52.86 52.11 1crf s ASN 4 Cb -0.08 -1.93 0.02 0.00 0.41 0.00 0.00 41.25 39.67 1crf s ASN 4 CO -0.01 -0.04 0.29 -0.75 -1.51 0.00 0.00 177.10 175.09 1crf s LYS 5 N -3.56 2.95 0.51 -0.60 2.20 -0.90 -4.62 119.74 115.74 1crf s LYS 5 Ca 0.36 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 1crf s LYS 5 Cb -0.10 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1crf s LYS 5 CO 0.29 -0.75 0.00 1.28 -0.36 0.00 0.00 175.35 175.82 1crf n LEU 6 N 5.14 -0.90 0.04 5.43 4.77 -1.08 -1.99 117.00 128.41 1crf n LEU 6 Ca -0.11 2.08 -0.12 0.00 -0.03 0.00 0.00 56.01 57.82 1crf n LEU 6 Cb 0.47 -4.05 -0.14 0.00 -2.33 0.00 0.00 43.42 37.37 1crf n LEU 6 CO 0.41 -2.66 -0.26 -0.37 -1.33 0.00 0.00 177.39 173.17 1crf h VAL 7 N -1.35 1.22 -0.13 4.08 -1.51 -1.93 -2.53 116.25 114.10 1crf h VAL 7 Ca -0.12 -2.94 -0.12 0.00 -1.23 0.00 0.00 66.70 62.30 1crf h VAL 7 Cb 1.32 2.69 -0.05 0.00 -2.13 0.00 0.00 31.29 33.13 1crf h VAL 7 CO 0.06 0.78 0.02 -0.81 -1.23 0.00 0.00 177.57 176.38 1crf n PRO 8 N -3.32 1.39 0.00 5.19 -0.04 -1.26 -4.09 135.00 132.87 1crf n PRO 8 Ca -0.12 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1crf n PRO 8 Cb 1.02 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1crf n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1crf n LEU 9 N 1.45 0.00 0.00 1.53 7.94 -1.26 -5.14 117.00 121.53 1crf n LEU 9 Ca 0.16 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.08 1crf n LEU 9 Cb 0.59 0.03 -0.01 0.00 0.53 0.00 0.00 43.42 44.56 1crf n LEU 9 CO 0.10 -0.03 -0.03 0.49 -1.11 0.00 0.00 177.39 176.82 1crf n PHE 10 N -1.45 -1.94 0.00 1.96 3.72 -0.84 -4.81 117.46 114.10 1crf n PHE 10 Ca 0.00 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1crf n PHE 10 Cb 0.00 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1crf n PHE 10 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1crf n TYR 11 N -1.71 0.00 0.00 1.38 9.36 -1.26 -2.11 117.16 122.83 1crf n TYR 11 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1crf n TYR 11 Cb 0.08 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.79 1crf n TYR 11 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1crf n LYS 12 N 0.00 0.00 -3.70 2.98 4.81 -0.44 -4.91 118.16 116.90 1crf n LYS 12 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1crf n LYS 12 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1crf n LYS 12 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1crf s THR 13 N 0.00 -0.06 -0.66 3.15 2.01 -1.22 -0.58 115.64 118.27 1crf s THR 13 Ca 0.00 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1crf s THR 13 Cb 0.00 -0.59 0.20 0.00 0.01 0.00 0.00 72.50 72.12 1crf s THR 13 CO 0.00 0.04 0.57 0.00 -0.69 0.00 0.00 174.62 174.54 1crf n PRO 15 N 1.63 -1.04 -1.60 0.00 -0.04 -1.26 -4.75 135.00 127.93 1crf n PRO 15 Ca 0.24 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1crf n PRO 15 Cb 0.38 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1crf n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1crf n ALA 16 N -3.68 -1.98 -2.95 0.55 0.00 -1.26 -4.87 120.51 106.31 1crf n ALA 16 Ca -0.16 0.49 -0.01 0.00 0.00 0.00 0.00 53.44 53.76 1crf n ALA 16 Cb 0.44 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 1crf n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1crf n GLY 17 N -2.64 -2.07 1.47 0.00 0.00 -1.26 -4.69 105.19 95.99 1crf n GLY 17 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1crf n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1crf n LYS 18 N 1.26 -4.00 -0.11 1.61 4.01 -1.26 -4.84 118.16 114.83 1crf n LYS 18 Ca -0.04 3.05 0.01 0.00 -0.51 0.00 0.00 58.31 60.82 1crf n LYS 18 Cb 0.28 -3.66 0.01 0.00 -0.51 0.00 0.00 35.03 31.16 1crf n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1crf n ASN 19 N -1.87 0.70 -4.84 4.39 2.85 -1.21 -4.73 115.26 110.54 1crf n ASN 19 Ca 0.00 -1.64 -0.22 0.00 -0.11 0.00 0.00 54.58 52.61 1crf n ASN 19 Cb 0.27 -0.08 -0.04 0.00 1.24 0.00 0.00 39.78 41.16 1crf n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1crf s LEU 20 N -0.52 3.37 -0.10 1.20 1.43 -0.00 -4.92 118.68 119.14 1crf s LEU 20 Ca 0.03 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1crf s LEU 20 Cb 0.03 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1crf s LEU 20 CO 0.00 -0.56 -0.22 0.00 0.23 0.00 0.00 176.35 175.80 1crf s TYR 22 N 0.45 1.46 0.31 0.00 1.13 -0.43 -0.90 117.35 119.37 1crf s TYR 22 Ca -0.17 -0.42 0.09 0.00 -1.41 0.00 0.00 57.07 55.16 1crf s TYR 22 Cb -0.17 -0.83 -0.04 0.00 -1.10 0.00 0.00 41.96 39.82 1crf s TYR 22 CO 0.07 0.11 0.07 0.15 -2.51 0.00 0.00 175.55 173.44 1crf s LYS 23 N -1.64 2.33 -0.30 -3.49 1.02 -0.55 -1.71 119.74 115.40 1crf s LYS 23 Ca 0.02 -1.50 -0.02 0.00 0.02 0.00 0.00 55.97 54.49 1crf s LYS 23 Cb -0.10 -2.15 0.19 0.00 -0.52 0.00 0.00 37.83 35.25 1crf s LYS 23 CO 0.03 0.22 0.63 1.41 -0.92 0.00 0.00 175.35 176.71 1crf s MET 24 N -3.76 0.55 0.00 1.68 -2.45 -0.59 -0.90 119.30 113.83 1crf s MET 24 Ca 0.35 0.99 0.00 0.00 -1.25 0.00 0.00 55.69 55.77 1crf s MET 24 Cb -0.04 0.55 0.00 0.00 1.25 0.00 0.00 34.83 36.59 1crf s MET 24 CO 0.21 -0.59 0.00 1.97 1.05 0.00 0.00 175.02 177.67 1crf n PHE 25 N 5.43 -0.51 -4.25 4.11 -1.74 -0.78 -1.53 117.46 118.19 1crf n PHE 25 Ca -0.02 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.73 1crf n PHE 25 Cb 0.51 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.46 1crf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1crf n MET 26 N 0.00 0.48 -4.20 3.97 0.00 -1.26 -0.62 117.12 115.50 1crf n MET 26 Ca 0.00 -2.14 -0.27 0.00 0.00 0.00 0.00 57.70 55.28 1crf n MET 26 Cb 0.00 1.46 -0.08 0.00 0.00 0.00 0.00 33.22 34.60 1crf n MET 26 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1crf s VAL 27 N -2.69 3.74 0.00 3.17 1.01 -1.17 -4.08 120.40 120.38 1crf s VAL 27 Ca 0.19 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1crf s VAL 27 Cb 0.01 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1crf s VAL 27 CO 0.14 -0.07 0.00 -0.24 0.00 0.00 0.00 175.10 174.92 1crf n SER 28 N -0.00 0.00 0.01 3.32 2.88 -1.26 -5.01 113.62 113.56 1crf n SER 28 Ca -0.10 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.43 1crf n SER 28 Cb 0.55 0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1crf n SER 28 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1crf n ASN 29 N -2.11 0.91 -2.74 -3.46 5.15 -1.26 -5.00 115.26 106.75 1crf n ASN 29 Ca 0.00 0.13 -0.08 0.00 -0.60 0.00 0.00 54.58 54.03 1crf n ASN 29 Cb 0.00 -0.33 0.06 0.00 -0.53 0.00 0.00 39.78 38.98 1crf n ASN 29 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1crf n LEU 30 N -3.35 -2.74 -1.59 1.20 7.94 -1.26 -5.07 117.00 112.13 1crf n LEU 30 Ca -0.02 -3.40 -0.01 0.00 -1.11 0.00 0.00 56.01 51.47 1crf n LEU 30 Cb 0.08 0.87 -0.01 0.00 0.53 0.00 0.00 43.42 44.89 1crf n LEU 30 CO 0.03 2.02 -0.12 0.41 -1.11 0.00 0.00 177.39 178.62 1crf n THR 31 N 1.29 -4.78 -3.75 1.96 -1.04 -1.26 -5.08 114.28 101.63 1crf n THR 31 Ca 0.08 0.58 -0.15 0.00 -2.04 0.00 0.00 64.05 62.52 1crf n THR 31 Cb 0.65 -3.97 -0.15 0.00 -1.82 0.00 0.00 70.33 65.03 1crf n THR 31 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1crf s VAL 32 N -0.13 -0.07 0.71 12.58 1.01 -1.26 -5.00 120.40 128.25 1crf s VAL 32 Ca -0.04 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1crf s VAL 32 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.25 1crf s VAL 32 CO 0.11 0.09 1.07 -2.16 0.00 0.00 0.00 175.10 174.22 1crf s PRO 33 N 1.24 2.79 0.00 2.72 0.04 -1.26 -4.13 135.00 136.39 1crf s PRO 33 Ca -0.08 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1crf s PRO 33 Cb -0.12 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1crf s PRO 33 CO -0.04 -1.16 0.00 0.28 0.04 0.00 0.00 177.00 176.12 1crf n VAL 34 N -3.14 0.00 -4.09 -0.36 0.31 -1.26 -4.89 118.33 104.90 1crf n VAL 34 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 1crf n VAL 34 Cb 0.55 -0.03 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 1crf n VAL 34 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1crf s LYS 35 N -1.07 0.62 -0.26 5.55 1.02 -0.59 -4.72 119.74 120.29 1crf s LYS 35 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 1crf s LYS 35 Cb 0.00 -0.30 0.10 0.00 -0.52 0.00 0.00 37.83 37.11 1crf s LYS 35 CO 0.00 0.04 0.59 0.50 -0.92 0.00 0.00 175.35 175.56 1crf s ARG 36 N -2.12 0.55 0.00 1.68 3.52 -1.26 -1.53 118.95 119.78 1crf s ARG 36 Ca -0.04 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 56.80 1crf s ARG 36 Cb -0.06 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.80 1crf s ARG 36 CO -0.01 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 1crf n GLY 37 N 4.99 4.39 3.07 8.12 0.00 -0.70 -2.65 105.19 122.43 1crf n GLY 37 Ca -0.15 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 1crf n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crf n ILE 39 N 3.37 0.00 0.00 0.00 -5.35 0.43 -4.81 119.36 113.01 1crf n ILE 39 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1crf n ILE 39 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1crf n ILE 39 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1crf n ASP 40 N 0.00 0.12 -3.51 7.28 -0.08 -1.26 -0.82 116.55 118.28 1crf n ASP 40 Ca 0.00 -0.06 -0.20 0.00 -1.51 0.00 0.00 54.79 53.01 1crf n ASP 40 Cb 0.00 0.15 -0.13 0.00 2.34 0.00 0.00 41.12 43.47 1crf n ASP 40 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1crf s VAL 41 N -0.17 -0.27 -0.37 5.18 1.01 -1.26 -5.01 120.40 119.51 1crf s VAL 41 Ca 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.85 1crf s VAL 41 Cb 0.00 -0.72 0.44 0.00 0.00 0.00 0.00 36.38 36.10 1crf s VAL 41 CO 0.00 -0.30 1.10 0.00 0.00 0.00 0.00 175.10 175.90 1crf n PRO 43 N -0.47 -0.48 -1.27 0.00 -0.04 -1.26 -4.26 135.00 127.22 1crf n PRO 43 Ca 0.32 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1crf n PRO 43 Cb 0.77 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1crf n PRO 43 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1crf n LYS 44 N -1.87 -3.35 -3.57 0.54 3.00 -1.26 -4.91 118.16 106.75 1crf n LYS 44 Ca 0.05 2.60 -0.16 0.00 -0.00 0.00 0.00 58.31 60.79 1crf n LYS 44 Cb 0.17 -3.24 -0.06 0.00 0.00 0.00 0.00 35.03 31.89 1crf n LYS 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1crf s ASN 45 N -4.92 -0.70 0.00 3.14 4.22 -1.26 -4.37 114.94 111.05 1crf s ASN 45 Ca 0.00 1.06 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 1crf s ASN 45 Cb 0.00 0.98 0.00 0.00 1.28 0.00 0.00 41.25 43.51 1crf s ASN 45 CO 0.00 -0.44 0.00 -0.24 -2.04 0.00 0.00 177.10 174.38 1crf n SER 46 N 1.75 0.69 -0.07 3.54 2.88 -1.21 -4.98 113.62 116.23 1crf n SER 46 Ca -0.17 -0.41 -0.05 0.00 -1.33 0.00 0.00 58.87 56.92 1crf n SER 46 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 1crf n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1crf n ALA 47 N -3.00 1.78 -0.09 -1.46 0.00 -1.26 -4.62 120.51 111.86 1crf n ALA 47 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 53.44 52.41 1crf n ALA 47 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1crf n ALA 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1crf n LEU 48 N -2.50 1.94 -4.33 0.00 7.94 -1.26 -4.86 117.00 113.93 1crf n LEU 48 Ca -0.22 0.34 -0.37 0.00 -1.11 0.00 0.00 56.01 54.66 1crf n LEU 48 Cb 0.92 -0.75 -0.13 0.00 0.53 0.00 0.00 43.42 43.99 1crf n LEU 48 CO 0.34 -0.24 -0.29 0.68 -1.11 0.00 0.00 177.39 176.76 1crf s VAL 49 N -2.87 3.84 0.29 1.96 -7.23 -1.26 -3.05 120.40 112.08 1crf s VAL 49 Ca -0.29 -0.70 0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1crf s VAL 49 Cb 0.04 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1crf s VAL 49 CO 0.42 0.12 0.03 -1.59 -0.31 0.00 0.00 175.10 173.77 1crf s LYS 50 N 1.48 2.30 -0.11 4.82 -2.85 0.21 -3.34 119.74 122.26 1crf s LYS 50 Ca 0.03 -1.47 0.03 0.00 -1.00 0.00 0.00 55.97 53.55 1crf s LYS 50 Cb -0.17 -2.15 0.01 0.00 -2.06 0.00 0.00 37.83 33.46 1crf s LYS 50 CO 0.02 0.29 -0.18 0.71 0.10 0.00 0.00 175.35 176.28 1crf s TYR 51 N -2.36 2.18 0.35 1.78 1.51 -1.26 -1.87 117.35 117.69 1crf s TYR 51 Ca 0.33 -0.98 0.06 0.00 -1.01 0.00 0.00 57.07 55.47 1crf s TYR 51 Cb -0.05 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1crf s TYR 51 CO 0.20 -0.46 0.50 0.54 -1.11 0.00 0.00 175.55 175.23 1crf s VAL 52 N 0.73 4.04 0.01 0.71 0.11 -0.08 -4.78 120.40 121.14 1crf s VAL 52 Ca -0.11 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.02 1crf s VAL 52 Cb -0.16 -3.41 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 1crf s VAL 52 CO 0.02 -0.18 -0.04 0.00 -3.33 0.00 0.00 175.10 171.57 1crf n ASN 55 N -0.07 -3.13 -2.75 0.00 5.15 -1.21 -1.65 115.26 111.59 1crf n ASN 55 Ca -0.07 -3.11 -0.04 0.00 -0.60 0.00 0.00 54.58 50.75 1crf n ASN 55 Cb 0.61 1.79 0.02 0.00 -0.53 0.00 0.00 39.78 41.66 1crf n ASN 55 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1crf n THR 56 N 2.22 0.00 0.00 -0.44 5.66 -0.37 -4.95 114.28 116.40 1crf n THR 56 Ca 0.13 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.10 1crf n THR 56 Cb 0.60 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 1crf n THR 56 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1crf n ASP 57 N 2.75 0.00 -0.49 1.09 8.00 -0.93 -3.45 116.55 123.52 1crf n ASP 57 Ca 0.16 0.00 0.43 0.00 0.71 0.00 0.00 54.79 56.09 1crf n ASP 57 Cb 0.57 0.00 0.73 0.00 -0.02 0.00 0.00 41.12 42.41 1crf n ASP 57 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1crf h ARG 58 N 0.00 0.00 -2.64 -1.24 3.08 -1.97 -1.85 114.38 109.76 1crf h ARG 58 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1crf h ARG 58 Cb 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.65 1crf h ARG 58 CO 0.00 0.00 -0.79 0.00 -1.07 0.00 0.00 179.97 178.11