#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crs s LYS 2 N 0.00 0.29 0.45 1.96 1.02 -1.26 -1.60 119.74 120.60 2crs s LYS 2 Ca 0.00 -0.07 0.03 0.00 0.02 0.00 0.00 55.97 55.95 2crs s LYS 2 Cb 0.00 -0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 2crs s LYS 2 CO 0.00 0.02 0.09 0.00 -0.92 0.00 0.00 175.35 174.54 2crs s ASN 4 N -3.70 6.14 0.53 0.00 3.84 -0.88 -0.76 114.94 120.11 2crs s ASN 4 Ca 0.17 0.32 0.07 0.00 0.21 0.00 0.00 52.86 53.63 2crs s ASN 4 Cb 0.02 -1.90 0.07 0.00 -0.55 0.00 0.00 41.25 38.89 2crs s ASN 4 CO 0.11 0.32 0.57 0.29 -2.79 0.00 0.00 177.10 175.59 2crs n LYS 5 N 1.40 0.68 -0.07 0.43 5.02 -0.77 -4.87 118.16 119.98 2crs n LYS 5 Ca -0.15 -3.11 -0.06 0.00 -2.02 0.00 0.00 58.31 52.98 2crs n LYS 5 Cb 0.53 0.07 -0.12 0.00 -0.02 0.00 0.00 35.03 35.49 2crs n LYS 5 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2crs n LEU 6 N 0.00 0.00 0.00 -0.35 -0.00 -1.26 -4.91 117.00 110.48 2crs n LEU 6 Ca 0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.82 2crs n LEU 6 Cb 0.58 0.33 0.24 0.00 -0.00 0.00 0.00 43.42 44.57 2crs n LEU 6 CO 0.36 0.33 0.28 1.33 -0.00 0.00 0.00 177.39 179.69 2crs n VAL 7 N -2.50 0.00 -2.45 1.47 0.24 -1.26 -4.75 118.33 109.07 2crs n VAL 7 Ca -0.22 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.69 2crs n VAL 7 Cb 0.93 -0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 32.47 2crs n VAL 7 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2crs s PRO 8 N -4.58 3.60 0.00 7.34 0.04 -1.26 -4.79 135.00 135.35 2crs s PRO 8 Ca 0.55 -1.74 0.00 0.00 0.04 0.00 0.00 61.00 59.85 2crs s PRO 8 Cb -0.10 -5.45 0.00 0.00 0.04 0.00 0.00 34.50 28.99 2crs s PRO 8 CO 0.46 -2.68 0.00 1.47 0.04 0.00 0.00 177.00 176.29 2crs n LEU 9 N 9.91 0.00 0.00 -3.56 -0.00 -1.26 -5.15 117.00 116.94 2crs n LEU 9 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 2crs n LEU 9 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2crs n LEU 9 CO 0.74 0.00 0.00 0.49 -0.00 0.00 0.00 177.39 178.62 2crs n PHE 10 N 0.00 0.00 -4.25 1.47 3.72 -1.26 -4.88 117.46 112.25 2crs n PHE 10 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2crs n PHE 10 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 2crs n PHE 10 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2crs s TYR 11 N 0.00 1.29 0.17 1.38 -0.85 -1.25 -1.84 117.35 116.25 2crs s TYR 11 Ca 0.00 -0.73 0.10 0.00 -0.52 0.00 0.00 57.07 55.92 2crs s TYR 11 Cb 0.00 -0.66 -0.04 0.00 0.38 0.00 0.00 41.96 41.64 2crs s TYR 11 CO 0.00 0.10 -0.18 0.15 -1.52 0.00 0.00 175.55 174.10 2crs s LYS 12 N -3.62 1.76 -0.22 -3.49 -0.14 0.06 -4.87 119.74 109.21 2crs s LYS 12 Ca 0.16 -1.35 -0.10 0.00 -1.36 0.00 0.00 55.97 53.32 2crs s LYS 12 Cb 0.02 -2.02 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 2crs s LYS 12 CO 0.01 0.43 0.13 0.99 -0.76 0.00 0.00 175.35 176.15 2crs s THR 13 N -1.53 5.20 -0.39 2.17 2.01 -1.26 -1.97 115.64 119.87 2crs s THR 13 Ca 0.21 0.12 0.11 0.00 0.31 0.00 0.00 61.69 62.44 2crs s THR 13 Cb -0.09 -3.40 0.37 0.00 0.01 0.00 0.00 72.50 69.39 2crs s THR 13 CO 0.12 0.38 1.02 0.00 -0.69 0.00 0.00 174.62 175.45 2crs h PRO 15 N 2.79 -0.21 0.10 0.00 0.13 -1.71 -2.85 132.00 130.24 2crs h PRO 15 Ca -0.08 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.78 2crs h PRO 15 Cb 1.12 0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.32 2crs h PRO 15 CO 0.27 -0.09 -1.19 0.00 -0.23 0.00 0.00 178.00 176.77 2crs h ALA 16 N -0.98 0.09 0.35 -0.56 0.00 -1.94 -3.35 119.26 112.86 2crs h ALA 16 Ca -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 2crs h ALA 16 Cb 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2crs h ALA 16 CO 0.04 0.76 -0.23 0.78 0.00 0.00 0.00 179.25 180.60 2crs h GLY 17 N 0.71 -0.82 -0.14 0.00 0.00 -1.93 -3.45 103.07 97.45 2crs h GLY 17 Ca -0.16 0.34 -0.65 0.00 0.00 0.00 0.00 47.33 46.87 2crs h GLY 17 CO 0.22 -0.28 -0.46 0.28 0.00 0.00 0.00 176.54 176.30 2crs n LYS 18 N -3.75 0.79 0.00 4.80 4.01 -1.08 -4.98 118.16 117.96 2crs n LYS 18 Ca -0.07 -3.62 0.00 0.00 -0.51 0.00 0.00 58.31 54.11 2crs n LYS 18 Cb 0.23 0.94 0.00 0.00 -0.51 0.00 0.00 35.03 35.69 2crs n LYS 18 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2crs n ASN 19 N -1.33 0.16 -3.84 4.39 0.23 -1.25 -4.09 115.26 109.53 2crs n ASN 19 Ca -0.20 -0.49 -0.12 0.00 -0.53 0.00 0.00 54.58 53.24 2crs n ASN 19 Cb 0.63 0.52 -0.12 0.00 -2.08 0.00 0.00 39.78 38.74 2crs n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2crs s LEU 20 N -1.05 1.46 0.40 -4.53 1.02 -0.83 -4.86 118.68 110.29 2crs s LEU 20 Ca 0.00 0.14 0.08 0.00 0.02 0.00 0.00 54.13 54.36 2crs s LEU 20 Cb 0.00 0.58 0.00 0.00 0.02 0.00 0.00 46.19 46.79 2crs s LEU 20 CO 0.00 -0.16 0.53 0.00 0.02 0.00 0.00 176.35 176.74 2crs s TYR 22 N -2.31 -0.43 0.36 0.00 1.13 -0.56 -1.11 117.35 114.43 2crs s TYR 22 Ca 0.52 0.18 0.09 0.00 -1.41 0.00 0.00 57.07 56.44 2crs s TYR 22 Cb -0.09 0.59 -0.06 0.00 -1.10 0.00 0.00 41.96 41.29 2crs s TYR 22 CO 0.32 -0.89 -0.01 0.15 -2.51 0.00 0.00 175.55 172.61 2crs s LYS 23 N -3.69 1.98 -0.23 -3.49 1.02 0.13 -1.51 119.74 113.95 2crs s LYS 23 Ca 0.04 -1.88 -0.04 0.00 0.02 0.00 0.00 55.97 54.10 2crs s LYS 23 Cb -0.02 -1.81 0.08 0.00 -0.52 0.00 0.00 37.83 35.56 2crs s LYS 23 CO -0.08 0.08 0.12 1.41 -0.92 0.00 0.00 175.35 175.96 2crs s MET 24 N -3.70 0.13 0.17 1.68 1.75 0.26 -1.90 119.30 117.69 2crs s MET 24 Ca 0.35 -0.26 0.02 0.00 -1.25 0.00 0.00 55.69 54.55 2crs s MET 24 Cb 0.03 -1.48 0.03 0.00 2.84 0.00 0.00 34.83 36.25 2crs s MET 24 CO 0.18 -0.83 0.23 1.19 -0.65 0.00 0.00 175.02 175.15 2crs n PHE 25 N 5.27 -2.84 -3.60 4.11 3.72 -0.24 0.10 117.46 123.98 2crs n PHE 25 Ca -0.06 -0.59 -0.21 0.00 -0.05 0.00 0.00 57.45 56.53 2crs n PHE 25 Cb 0.46 -0.16 -0.16 0.00 -0.94 0.00 0.00 39.48 38.68 2crs n PHE 25 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2crs s MET 26 N -2.78 0.06 -0.32 -1.08 1.75 0.16 -1.74 119.30 115.36 2crs s MET 26 Ca 0.17 0.19 0.08 0.00 -1.25 0.00 0.00 55.69 54.88 2crs s MET 26 Cb -0.01 -1.17 0.53 0.00 2.84 0.00 0.00 34.83 37.02 2crs s MET 26 CO 0.11 -0.54 1.53 0.28 -0.65 0.00 0.00 175.02 175.75 2crs n VAL 27 N 5.30 2.66 -0.13 10.11 0.31 0.18 -1.94 118.33 134.81 2crs n VAL 27 Ca -0.06 -2.68 0.28 0.00 -0.01 0.00 0.00 64.34 61.87 2crs n VAL 27 Cb 0.49 -0.35 0.69 0.00 -0.91 0.00 0.00 33.84 33.76 2crs n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2crs h ALA 28 N 1.02 2.69 0.00 3.52 0.00 -1.64 -3.43 119.26 121.42 2crs h ALA 28 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2crs h ALA 28 Cb 1.82 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2crs h ALA 28 CO 0.50 -1.20 0.00 0.25 0.00 0.00 0.00 179.25 178.80 2crs n THR 29 N -3.79 0.00 -2.64 0.00 -2.24 -1.26 -5.01 114.28 99.34 2crs n THR 29 Ca 0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 2crs n THR 29 Cb 1.05 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2crs n THR 29 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2crs s PRO 30 N 0.00 3.25 -0.08 -0.78 0.04 -1.26 -4.97 135.00 131.19 2crs s PRO 30 Ca 0.00 -0.25 -0.40 0.00 0.04 0.00 0.00 61.00 60.39 2crs s PRO 30 Cb 0.00 -4.14 -0.18 0.00 0.04 0.00 0.00 34.50 30.22 2crs s PRO 30 CO 0.00 -1.94 1.36 1.63 0.04 0.00 0.00 177.00 178.09 2crs n LYS 31 N 8.72 0.63 -3.71 4.56 5.02 -1.26 -4.73 118.16 127.39 2crs n LYS 31 Ca 0.03 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2crs n LYS 31 Cb 0.48 -1.81 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 2crs n LYS 31 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2crs s VAL 32 N 1.20 -0.00 0.56 -0.18 1.01 -0.82 -4.98 120.40 117.19 2crs s VAL 32 Ca 0.92 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 2crs s VAL 32 Cb -1.15 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2crs s VAL 32 CO 0.58 0.00 1.05 -2.16 0.00 0.00 0.00 175.10 174.58 2crs s PRO 33 N 0.38 3.45 0.04 2.72 0.04 -1.26 0.40 135.00 140.78 2crs s PRO 33 Ca -0.01 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2crs s PRO 33 Cb -0.04 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2crs s PRO 33 CO -0.01 -0.71 0.00 0.28 0.04 0.00 0.00 177.00 176.60 2crs n VAL 34 N -1.72 0.22 -3.49 -0.36 0.31 0.12 -4.77 118.33 108.63 2crs n VAL 34 Ca 0.09 0.07 -0.16 0.00 -0.01 0.00 0.00 64.34 64.33 2crs n VAL 34 Cb 0.53 -0.82 -0.05 0.00 -0.91 0.00 0.00 33.84 32.59 2crs n VAL 34 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2crs s LYS 35 N -1.27 1.11 -0.00 5.55 2.36 -0.81 -4.98 119.74 121.71 2crs s LYS 35 Ca 0.00 0.03 0.00 0.00 -2.55 0.00 0.00 55.97 53.46 2crs s LYS 35 Cb 0.00 0.52 0.00 0.00 -1.05 0.00 0.00 37.83 37.30 2crs s LYS 35 CO 0.00 -0.40 -0.00 1.03 1.55 0.00 0.00 175.35 177.53 2crs s ARG 36 N -1.97 0.06 0.00 4.03 0.52 -1.26 0.88 118.95 121.21 2crs s ARG 36 Ca -0.07 -0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 2crs s ARG 36 Cb -0.00 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.37 2crs s ARG 36 CO 0.03 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.75 2crs n GLY 37 N 3.21 3.56 3.24 -3.53 0.00 -0.57 -4.74 105.19 106.35 2crs n GLY 37 Ca -0.14 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2crs n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crs s ILE 39 N 1.38 1.16 -2.62 0.00 2.07 0.43 -4.84 121.20 118.79 2crs s ILE 39 Ca 0.05 -2.06 0.22 0.00 -1.41 0.00 0.00 60.65 57.45 2crs s ILE 39 Cb -0.14 -2.18 0.21 0.00 0.13 0.00 0.00 42.46 40.48 2crs s ILE 39 CO -0.07 -0.47 1.21 -0.90 -1.91 0.00 0.00 174.94 172.81 2crs n ASP 40 N -0.36 2.89 -0.19 4.50 5.68 -1.26 -1.96 116.55 125.84 2crs n ASP 40 Ca -0.07 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 2crs n ASP 40 Cb 0.63 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 2crs n ASP 40 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2crs n VAL 41 N 1.24 0.00 -2.71 2.12 0.24 -1.26 -4.85 118.33 113.10 2crs n VAL 41 Ca 0.13 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.36 2crs n VAL 41 Cb 0.54 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 33.01 2crs n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2crs n PRO 43 N 0.06 2.65 -3.64 0.00 -0.04 -1.26 -4.82 135.00 127.95 2crs n PRO 43 Ca 0.01 -2.50 -0.05 0.00 -0.04 0.00 0.00 63.50 60.92 2crs n PRO 43 Cb 0.75 -3.24 -0.07 0.00 -0.04 0.00 0.00 33.50 30.90 2crs n PRO 43 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2crs s LYS 44 N 3.52 0.55 0.00 0.54 -2.85 -1.26 -5.16 119.74 115.08 2crs s LYS 44 Ca 0.49 0.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.39 2crs s LYS 44 Cb 0.14 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 2crs s LYS 44 CO -0.05 -0.11 0.00 0.45 0.10 0.00 0.00 175.35 175.74 2crs n SER 45 N 3.88 0.00 0.15 0.03 2.88 -1.26 -4.65 113.62 114.65 2crs n SER 45 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2crs n SER 45 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2crs n SER 45 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2crs n SER 46 N 0.00 -2.72 0.00 -3.46 3.41 -1.25 -5.04 113.62 104.56 2crs n SER 46 Ca 0.00 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2crs n SER 46 Cb 0.00 2.70 0.00 0.00 -0.26 0.00 0.00 64.21 66.65 2crs n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2crs n LEU 47 N -3.29 0.00 0.09 1.04 -0.00 -1.26 -4.96 117.00 108.62 2crs n LEU 47 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2crs n LEU 47 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2crs n LEU 47 CO 0.00 0.00 0.04 -0.07 -0.00 0.00 0.00 177.39 177.36 2crs h LEU 48 N 0.00 0.35 -8.04 1.47 3.38 -1.95 -3.33 115.31 107.18 2crs h LEU 48 Ca 0.00 -0.35 -0.28 0.00 0.09 0.00 0.00 57.88 57.33 2crs h LEU 48 Cb 0.00 -0.11 -0.24 0.00 0.09 0.00 0.00 40.66 40.40 2crs h LEU 48 CO 0.00 1.25 -0.74 0.68 0.09 0.00 0.00 178.44 179.72 2crs s VAL 49 N -2.78 0.45 0.44 1.22 -7.23 -1.26 -0.65 120.40 110.59 2crs s VAL 49 Ca -0.03 -0.72 0.06 0.00 -1.81 0.00 0.00 61.98 59.48 2crs s VAL 49 Cb 0.08 -0.47 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 2crs s VAL 49 CO 0.87 -0.19 0.08 -0.54 -0.31 0.00 0.00 175.10 175.00 2crs s LYS 50 N -0.99 2.10 0.02 4.82 3.01 -0.71 -3.92 119.74 124.07 2crs s LYS 50 Ca -0.06 -2.10 -0.07 0.00 -1.01 0.00 0.00 55.97 52.74 2crs s LYS 50 Cb -0.07 -1.73 -0.00 0.00 -1.01 0.00 0.00 37.83 35.02 2crs s LYS 50 CO 0.00 -0.17 0.13 1.52 0.51 0.00 0.00 175.35 177.35 2crs s TYR 51 N -2.72 0.10 -0.28 3.18 1.13 -1.26 -1.08 117.35 116.42 2crs s TYR 51 Ca 0.30 -0.28 -0.03 0.00 -1.41 0.00 0.00 57.07 55.65 2crs s TYR 51 Cb 0.06 -0.08 0.11 0.00 -1.10 0.00 0.00 41.96 40.95 2crs s TYR 51 CO 0.16 -0.34 0.17 0.08 -2.51 0.00 0.00 175.55 173.12 2crs s VAL 52 N -1.98 -0.17 -0.07 -3.49 1.01 -0.80 -4.89 120.40 110.02 2crs s VAL 52 Ca -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2crs s VAL 52 Cb -0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2crs s VAL 52 CO -0.01 -0.64 0.10 0.00 0.00 0.00 0.00 175.10 174.55 2crs n ASN 55 N 0.16 -0.27 0.00 0.00 5.15 -1.26 -1.90 115.26 117.14 2crs n ASN 55 Ca -0.15 -2.80 0.00 0.00 -0.60 0.00 0.00 54.58 51.03 2crs n ASN 55 Cb 0.61 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 2crs n ASN 55 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2crs n THR 56 N 1.40 0.03 -1.33 -0.44 -1.04 -1.26 -5.09 114.28 106.55 2crs n THR 56 Ca 0.19 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2crs n THR 56 Cb 0.55 1.58 0.00 0.00 -1.82 0.00 0.00 70.33 70.64 2crs n THR 56 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2crs n ASP 57 N -0.01 -4.79 0.00 8.00 -0.08 -1.26 -4.55 116.55 113.86 2crs n ASP 57 Ca 0.00 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 2crs n ASP 57 Cb 0.32 -2.58 0.00 0.00 2.34 0.00 0.00 41.12 41.20 2crs n ASP 57 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2crs n ARG 58 N 0.71 0.00 0.00 -0.67 -4.01 -1.24 -4.80 116.66 106.66 2crs n ARG 58 Ca 0.00 0.00 0.15 0.00 -1.04 0.00 0.00 57.85 56.96 2crs n ARG 58 Cb 0.00 -2.21 0.71 0.00 -3.04 0.00 0.00 32.46 27.92 2crs n ARG 58 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59