#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 4.29 0.44 3.23 1.02 -0.91 -1.85 119.74 125.95 1crf s LYS 2 Ca 0.00 1.30 0.03 0.00 0.02 0.00 0.00 55.97 57.32 1crf s LYS 2 Cb 0.00 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1crf s LYS 2 CO 0.00 -0.53 0.09 0.00 -0.92 0.00 0.00 175.35 173.99 1crf s ASN 4 N -3.69 0.01 -0.11 0.00 6.03 -1.26 0.57 114.94 116.49 1crf s ASN 4 Ca 0.19 -0.02 -0.03 0.00 -1.03 0.00 0.00 52.86 51.97 1crf s ASN 4 Cb 0.03 0.04 -0.03 0.00 -3.03 0.00 0.00 41.25 38.25 1crf s ASN 4 CO 0.11 -0.04 0.01 -0.75 -2.03 0.00 0.00 177.10 174.41 1crf s LYS 5 N -0.15 3.23 0.59 3.55 2.20 -0.86 -4.30 119.74 124.00 1crf s LYS 5 Ca -0.02 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1crf s LYS 5 Cb -0.01 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1crf s LYS 5 CO -0.00 0.60 0.00 1.28 -0.36 0.00 0.00 175.35 176.87 1crf n LEU 6 N 2.48 -1.36 0.04 5.43 4.77 -1.25 -0.11 117.00 127.00 1crf n LEU 6 Ca -0.18 2.60 -0.19 0.00 -0.03 0.00 0.00 56.01 58.20 1crf n LEU 6 Cb 0.53 -3.11 -0.13 0.00 -2.33 0.00 0.00 43.42 38.38 1crf n LEU 6 CO 0.30 -1.37 0.12 -0.37 -1.33 0.00 0.00 177.39 174.74 1crf h VAL 7 N -0.55 1.44 -0.18 4.08 -1.51 -1.91 -2.21 116.25 115.40 1crf h VAL 7 Ca -0.09 -2.32 -0.25 0.00 -1.23 0.00 0.00 66.70 62.81 1crf h VAL 7 Cb 1.12 2.85 -0.09 0.00 -2.13 0.00 0.00 31.29 33.05 1crf h VAL 7 CO 0.03 0.67 -0.21 -0.81 -1.23 0.00 0.00 177.57 176.03 1crf n PRO 8 N -4.11 2.09 0.01 5.19 -0.04 -1.26 -4.11 135.00 132.77 1crf n PRO 8 Ca -0.12 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1crf n PRO 8 Cb 0.79 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 2.24 -0.14 0.00 1.53 0.00 -1.25 -5.15 117.00 114.24 1crf n LEU 9 Ca 0.44 0.17 0.00 0.00 0.00 0.00 0.00 56.01 56.62 1crf n LEU 9 Cb 0.85 0.30 0.00 0.00 0.00 0.00 0.00 43.42 44.57 1crf n LEU 9 CO 0.16 -0.02 0.00 0.49 0.00 0.00 0.00 177.39 178.02 1crf n PHE 10 N -2.36 -1.12 0.00 1.96 3.72 0.84 -4.81 117.46 115.69 1crf n PHE 10 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1crf n PHE 10 Cb 0.00 0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.60 0.00 0.00 1.38 9.36 -1.23 -2.02 117.16 124.06 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 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1crf n TYR 11 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1crf n LYS 12 N 0.00 0.00 -3.65 2.98 4.01 0.19 -4.90 118.16 116.79 1crf n LYS 12 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 1crf n LYS 12 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 1crf n LYS 12 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1crf s THR 13 N -0.25 -0.00 -0.54 -0.18 -1.32 -1.25 -0.18 115.64 111.92 1crf s THR 13 Ca 0.00 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 1crf s THR 13 Cb 0.00 -0.91 0.14 0.00 -1.51 0.00 0.00 72.50 70.22 1crf s THR 13 CO 0.00 0.01 0.31 0.00 -2.21 0.00 0.00 174.62 172.73 1crf s PRO 15 N -0.43 4.38 0.00 0.00 0.04 -1.26 -4.84 135.00 132.88 1crf s PRO 15 Ca 0.19 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1crf s PRO 15 Cb -0.20 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1crf s PRO 15 CO -0.04 -0.40 0.00 0.00 0.04 0.00 0.00 177.00 176.60 1crf n ALA 16 N 5.36 0.00 -0.35 8.56 0.00 -1.26 -4.97 120.51 127.86 1crf n ALA 16 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1crf n ALA 16 Cb 0.48 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.09 1crf n ALA 16 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1crf h GLY 17 N 0.00 0.80 -4.25 0.00 0.00 -2.00 -3.37 103.07 94.25 1crf h GLY 17 Ca 0.00 0.29 -0.53 0.00 0.00 0.00 0.00 47.33 47.09 1crf h GLY 17 CO 0.00 -0.40 0.84 0.54 0.00 0.00 0.00 176.54 177.52 1crf s LYS 18 N -6.21 4.17 0.00 4.80 1.02 -1.26 -4.89 119.74 117.37 1crf s LYS 18 Ca -0.15 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1crf s LYS 18 Cb 0.27 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1crf s LYS 18 CO 0.78 -0.56 0.76 -1.71 -0.92 0.00 0.00 175.35 173.70 1crf n ASN 19 N 2.11 1.36 -4.20 2.83 5.15 -1.19 -4.84 115.26 116.48 1crf n ASN 19 Ca 0.07 -1.58 -0.12 0.00 -0.60 0.00 0.00 54.58 52.35 1crf n ASN 19 Cb 0.38 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.53 1crf n ASN 19 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1crf s LEU 20 N -0.58 1.14 0.47 1.20 1.02 0.65 -4.98 118.68 117.60 1crf s LEU 20 Ca 0.00 -1.38 0.08 0.00 0.02 0.00 0.00 54.13 52.85 1crf s LEU 20 Cb 0.00 0.41 0.02 0.00 0.02 0.00 0.00 46.19 46.63 1crf s LEU 20 CO 0.00 -0.85 0.48 0.00 0.02 0.00 0.00 176.35 176.00 1crf s TYR 22 N -2.56 -0.20 -0.32 0.00 6.14 0.58 -1.76 117.35 119.22 1crf s TYR 22 Ca 0.48 0.46 -0.01 0.00 0.64 0.00 0.00 57.07 58.64 1crf s TYR 22 Cb -0.04 0.07 0.11 0.00 0.42 0.00 0.00 41.96 42.52 1crf s TYR 22 CO 0.29 -0.21 0.13 0.15 0.64 0.00 0.00 175.55 176.55 1crf s LYS 23 N -0.40 0.69 -0.18 4.97 1.02 -0.61 -1.72 119.74 123.50 1crf s LYS 23 Ca -0.05 -1.12 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 1crf s LYS 23 Cb -0.03 -1.86 -0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1crf s LYS 23 CO 0.01 -1.03 -0.11 -1.64 -0.92 0.00 0.00 175.35 171.66 1crf s MET 24 N 1.51 3.26 0.26 1.68 -1.94 -0.39 -1.52 119.30 122.15 1crf s MET 24 Ca 0.11 -0.71 -0.22 0.00 -1.71 0.00 0.00 55.69 53.17 1crf s MET 24 Cb -0.18 -2.78 0.03 0.00 2.01 0.00 0.00 34.83 33.91 1crf s MET 24 CO -0.22 -0.10 0.77 -0.59 -0.01 0.00 0.00 175.02 174.87 1crf s PHE 25 N 1.14 -0.18 0.50 -0.03 -0.12 -0.88 -1.84 117.98 116.57 1crf s PHE 25 Ca 0.01 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.66 1crf s PHE 25 Cb -0.14 0.70 0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1crf s PHE 25 CO -0.04 -1.16 0.18 0.00 -0.05 0.00 0.00 175.22 174.15 1crf n MET 26 N -0.46 0.79 -3.00 1.99 0.00 -1.26 -0.51 117.12 114.67 1crf n MET 26 Ca -0.04 -3.37 -0.41 0.00 0.00 0.00 0.00 57.70 53.87 1crf n MET 26 Cb 0.59 0.66 -0.05 0.00 0.00 0.00 0.00 33.22 34.43 1crf n MET 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1crf s VAL 27 N -2.65 4.93 -0.01 3.17 -7.23 -1.26 -4.30 120.40 113.05 1crf s VAL 27 Ca 0.13 1.39 -0.07 0.00 -1.81 0.00 0.00 61.98 61.62 1crf s VAL 27 Cb -0.01 -4.04 -0.02 0.00 0.56 0.00 0.00 36.38 32.87 1crf s VAL 27 CO 0.08 0.03 -0.13 -0.24 -0.31 0.00 0.00 175.10 174.53 1crf n SER 28 N 5.44 1.36 0.01 4.85 2.88 -1.26 -4.97 113.62 121.92 1crf n SER 28 Ca 0.02 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1crf n SER 28 Cb 0.49 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1crf n SER 28 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1crf n ASN 29 N -3.80 0.08 -2.98 -3.46 4.13 -1.26 -4.94 115.26 103.04 1crf n ASN 29 Ca -0.05 0.01 -0.22 0.00 1.68 0.00 0.00 54.58 56.00 1crf n ASN 29 Cb 0.20 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.39 1crf n ASN 29 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1crf n LEU 30 N -2.58 2.75 -2.97 3.41 4.77 -1.26 -4.97 117.00 116.14 1crf n LEU 30 Ca 0.00 -5.21 -0.09 0.00 -0.03 0.00 0.00 56.01 50.68 1crf n LEU 30 Cb 0.00 0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1crf n LEU 30 CO 0.00 2.26 0.09 0.35 -1.33 0.00 0.00 177.39 178.76 1crf n THR 31 N -0.03-10.18 -4.33 -5.08 -2.24 -1.26 -5.00 114.28 86.15 1crf n THR 31 Ca 0.27 0.54 -0.32 0.00 -2.27 0.00 0.00 64.05 62.27 1crf n THR 31 Cb 0.56 -6.84 -0.09 0.00 -2.10 0.00 0.00 70.33 61.86 1crf n THR 31 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1crf s VAL 32 N -2.64 4.00 0.59 2.28 1.01 -1.26 -5.00 120.40 119.38 1crf s VAL 32 Ca 0.19 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1crf s VAL 32 Cb -0.05 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1crf s VAL 32 CO 0.78 0.37 1.09 -2.16 0.00 0.00 0.00 175.10 175.18 1crf s PRO 33 N -1.53 3.22 0.00 2.72 0.04 -1.26 -4.49 135.00 133.70 1crf s PRO 33 Ca 0.19 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1crf s PRO 33 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1crf s PRO 33 CO 0.10 -0.91 0.00 0.28 0.04 0.00 0.00 177.00 176.51 1crf n VAL 34 N -1.85 0.01 -4.50 -0.36 0.31 -1.26 -4.91 118.33 105.78 1crf n VAL 34 Ca 0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.19 1crf n VAL 34 Cb 0.52 -0.74 -0.10 0.00 -0.91 0.00 0.00 33.84 32.61 1crf n VAL 34 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1crf s LYS 35 N -1.01 1.71 -0.16 5.55 -2.85 -0.77 -3.45 119.74 118.76 1crf s LYS 35 Ca 0.00 -1.88 -0.28 0.00 -1.00 0.00 0.00 55.97 52.81 1crf s LYS 35 Cb 0.00 -1.45 0.07 0.00 -2.06 0.00 0.00 37.83 34.39 1crf s LYS 35 CO 0.00 0.08 0.72 -0.98 0.10 0.00 0.00 175.35 175.27 1crf s ARG 36 N -3.67 0.93 0.32 1.78 1.70 -1.26 -1.26 118.95 117.48 1crf s ARG 36 Ca 0.32 0.62 -0.17 0.00 -0.47 0.00 0.00 55.73 56.02 1crf s ARG 36 Cb 0.04 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1crf s ARG 36 CO 0.15 -0.21 0.70 0.20 -1.08 0.00 0.00 175.30 175.06 1crf s GLY 37 N -0.41 0.22 -0.27 3.88 0.00 -0.70 -3.80 107.32 106.24 1crf s GLY 37 Ca -0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.97 1crf s GLY 37 CO 0.05 -0.28 0.18 0.00 0.00 0.00 0.00 173.10 173.06 1crf n ILE 39 N 4.96 0.00 -0.60 0.00 5.41 0.12 -4.77 119.36 124.48 1crf n ILE 39 Ca -0.14 -0.94 0.00 0.00 1.00 0.00 0.00 62.75 62.67 1crf n ILE 39 Cb 0.52 0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.84 1crf n ILE 39 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1crf n ASP 40 N -2.11 0.50 -3.73 4.38 -0.08 -1.26 -0.25 116.55 113.99 1crf n ASP 40 Ca -0.00 -1.10 -0.25 0.00 -1.51 0.00 0.00 54.79 51.93 1crf n ASP 40 Cb 0.24 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.53 1crf n ASP 40 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1crf s VAL 41 N -0.10 0.34 -0.37 5.18 0.11 -1.26 -4.98 120.40 119.32 1crf s VAL 41 Ca 0.00 -0.16 0.14 0.00 -2.93 0.00 0.00 61.98 59.03 1crf s VAL 41 Cb 0.00 -0.70 0.43 0.00 -1.53 0.00 0.00 36.38 34.58 1crf s VAL 41 CO 0.00 0.00 0.97 0.00 -3.33 0.00 0.00 175.10 172.74 1crf s PRO 43 N -3.17 4.66 0.38 0.00 0.04 -1.26 -4.89 135.00 130.75 1crf s PRO 43 Ca 0.35 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1crf s PRO 43 Cb 0.43 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1crf s PRO 43 CO -0.04 0.26 0.00 1.17 0.04 0.00 0.00 177.00 178.43 1crf n LYS 44 N 2.67 -2.27 -1.65 4.56 3.00 -1.26 -5.04 118.16 118.18 1crf n LYS 44 Ca 0.01 1.75 0.00 0.00 -0.00 0.00 0.00 58.31 60.06 1crf n LYS 44 Cb 0.49 -2.69 0.00 0.00 0.00 0.00 0.00 35.03 32.83 1crf n LYS 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1crf n ASN 45 N -3.75 0.63 0.00 3.14 0.23 -1.26 -4.89 115.26 109.36 1crf n ASN 45 Ca -0.04 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1crf n ASN 45 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1crf n ASN 45 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1crf n SER 46 N -1.95 0.00 0.00 0.53 2.88 -1.26 -4.99 113.62 108.84 1crf n SER 46 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1crf n SER 46 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.45 0.00 -0.10 -1.46 0.00 -1.26 -4.92 120.51 110.32 1crf n ALA 47 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1crf n ALA 47 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1crf n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1crf n LEU 48 N 0.00 2.18 -4.17 0.00 4.77 -1.26 -4.72 117.00 113.79 1crf n LEU 48 Ca 0.00 -0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.56 1crf n LEU 48 Cb 0.00 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.41 1crf n LEU 48 CO 0.00 0.81 -0.16 0.68 -1.33 0.00 0.00 177.39 177.38 1crf s VAL 49 N -2.52 3.56 0.12 4.08 -7.23 -1.26 -4.05 120.40 113.11 1crf s VAL 49 Ca -0.27 -1.78 -0.31 0.00 -1.81 0.00 0.00 61.98 57.81 1crf s VAL 49 Cb 0.08 -3.32 -0.08 0.00 0.56 0.00 0.00 36.38 33.63 1crf s VAL 49 CO 0.68 -0.58 1.32 -0.54 -0.31 0.00 0.00 175.10 175.67 1crf s LYS 50 N 1.25 4.37 -0.38 4.82 1.02 0.34 -3.98 119.74 127.17 1crf s LYS 50 Ca 0.05 1.99 -0.09 0.00 0.02 0.00 0.00 55.97 57.93 1crf s LYS 50 Cb -0.23 -3.26 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1crf s LYS 50 CO -0.02 -0.33 0.20 0.71 -0.92 0.00 0.00 175.35 174.98 1crf s TYR 51 N 0.81 3.27 0.28 3.18 1.51 -1.26 -2.07 117.35 123.08 1crf s TYR 51 Ca 0.61 -1.22 0.09 0.00 -1.01 0.00 0.00 57.07 55.54 1crf s TYR 51 Cb -0.35 -2.53 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 1crf s TYR 51 CO 0.32 -0.72 0.07 0.08 -1.11 0.00 0.00 175.55 174.19 1crf s VAL 52 N 1.49 3.53 -0.10 0.71 1.01 -0.58 -4.87 120.40 121.59 1crf s VAL 52 Ca 0.01 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.24 1crf s VAL 52 Cb -0.20 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1crf s VAL 52 CO 0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 175.10 174.69 1crf n ASN 55 N 0.12 -1.54 -2.92 0.00 2.85 -0.88 -1.47 115.26 111.42 1crf n ASN 55 Ca -0.06 -2.24 -0.13 0.00 -0.11 0.00 0.00 54.58 52.04 1crf n ASN 55 Cb 0.52 0.77 0.02 0.00 1.24 0.00 0.00 39.78 42.33 1crf n ASN 55 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1crf n THR 56 N -1.21 0.18 -0.80 -0.44 -1.04 -1.19 -4.96 114.28 104.82 1crf n THR 56 Ca -0.13 -3.30 0.10 0.00 -2.04 0.00 0.00 64.05 58.68 1crf n THR 56 Cb 0.85 0.44 -0.05 0.00 -1.82 0.00 0.00 70.33 69.75 1crf n THR 56 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1crf n ASP 57 N 0.11 -4.49 -1.53 8.00 -0.08 -1.26 -4.71 116.55 112.59 1crf n ASP 57 Ca 0.14 0.75 -0.08 0.00 -1.51 0.00 0.00 54.79 54.09 1crf n ASP 57 Cb 0.73 -2.71 -0.03 0.00 2.34 0.00 0.00 41.12 41.45 1crf n ASP 57 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1crf n ARG 58 N -3.36 -1.49 0.00 -0.67 1.74 -1.24 -4.46 116.66 107.17 1crf n ARG 58 Ca -0.04 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1crf n ARG 58 Cb 0.38 -4.73 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 1crf n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11