#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 1.61 0.51 3.23 -2.85 -1.26 -1.69 119.74 119.29 2crs s LYS 2 Ca 0.00 -0.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.55 2crs s LYS 2 Cb 0.00 -1.37 -0.01 0.00 -2.06 0.00 0.00 37.83 34.40 2crs s LYS 2 CO 0.00 0.09 0.11 0.00 0.10 0.00 0.00 175.35 175.65 2crs s ASN 4 N -3.97 6.40 0.00 0.00 2.47 -0.85 -1.33 114.94 117.67 2crs s ASN 4 Ca 0.16 0.48 0.00 0.00 0.42 0.00 0.00 52.86 53.92 2crs s ASN 4 Cb 0.01 -2.07 0.00 0.00 -1.45 0.00 0.00 41.25 37.74 2crs s ASN 4 CO 0.09 0.40 0.00 1.17 -3.72 0.00 0.00 177.10 175.04 2crs n LYS 5 N 1.91 1.36 0.00 0.43 4.81 -0.59 -4.66 118.16 121.42 2crs n LYS 5 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 2crs n LYS 5 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 2crs n LYS 5 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2crs n LEU 6 N 0.00 0.00 0.02 3.14 -0.00 -1.26 -4.87 117.00 114.03 2crs n LEU 6 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 2crs n LEU 6 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2crs n LEU 6 CO 0.00 0.00 -0.36 0.58 -0.00 0.00 0.00 177.39 177.61 2crs h VAL 7 N 0.00 1.10 -3.05 1.47 2.07 -2.00 -3.45 116.25 112.39 2crs h VAL 7 Ca 0.00 -2.44 -0.57 0.00 0.82 0.00 0.00 66.70 64.51 2crs h VAL 7 Cb 0.00 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 2crs h VAL 7 CO 0.00 0.72 0.87 -2.16 0.02 0.00 0.00 177.57 177.02 2crs s PRO 8 N -2.48 4.18 1.73 1.57 0.04 -1.26 -4.86 135.00 133.91 2crs s PRO 8 Ca -0.18 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2crs s PRO 8 Cb 0.04 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2crs s PRO 8 CO 0.79 -0.76 0.00 1.28 0.04 0.00 0.00 177.00 178.35 2crs n LEU 9 N 6.68 0.00 0.00 -3.56 4.32 -1.26 -4.75 117.00 118.43 2crs n LEU 9 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2crs n LEU 9 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 2crs n LEU 9 CO 0.56 -0.50 -0.02 0.49 -1.22 0.00 0.00 177.39 176.70 2crs n PHE 10 N -0.36 0.00 -3.87 -1.77 3.72 -1.26 -4.50 117.46 109.42 2crs n PHE 10 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 2crs n PHE 10 Cb 0.00 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.05 1.27 0.41 1.38 1.13 -1.26 -1.55 117.35 117.68 2crs s TYR 11 Ca 0.00 -0.60 0.07 0.00 -1.41 0.00 0.00 57.07 55.14 2crs s TYR 11 Cb 0.00 -1.12 -0.06 0.00 -1.10 0.00 0.00 41.96 39.68 2crs s TYR 11 CO 0.00 -0.47 0.11 -1.59 -2.51 0.00 0.00 175.55 171.09 2crs s LYS 12 N 1.78 2.13 -0.11 -3.49 -2.85 -0.44 -4.91 119.74 111.84 2crs s LYS 12 Ca 0.05 -1.93 0.01 0.00 -1.00 0.00 0.00 55.97 53.11 2crs s LYS 12 Cb -0.13 -1.86 -0.01 0.00 -2.06 0.00 0.00 37.83 33.77 2crs s LYS 12 CO -0.07 -0.08 -0.16 -0.08 0.10 0.00 0.00 175.35 175.05 2crs s THR 13 N -2.63 2.76 -0.41 3.79 -1.32 -1.26 -0.82 115.64 115.75 2crs s THR 13 Ca 0.39 -0.77 0.11 0.00 -1.21 0.00 0.00 61.69 60.20 2crs s THR 13 Cb 0.06 -2.13 0.40 0.00 -1.51 0.00 0.00 72.50 69.32 2crs s THR 13 CO 0.21 0.54 0.93 0.00 -2.21 0.00 0.00 174.62 174.09 2crs n PRO 15 N -0.11 0.00 0.12 0.00 -0.04 -1.26 -2.21 135.00 131.50 2crs n PRO 15 Ca 0.24 0.31 -0.02 0.00 -0.04 0.00 0.00 63.50 63.99 2crs n PRO 15 Cb 0.66 -0.84 0.19 0.00 -0.04 0.00 0.00 33.50 33.47 2crs n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crs h ALA 16 N -2.00 1.01 0.02 0.55 0.00 -1.96 -3.18 119.26 113.71 2crs h ALA 16 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 54.91 54.14 2crs h ALA 16 Cb 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.72 2crs h ALA 16 CO 0.00 0.68 -1.08 0.78 0.00 0.00 0.00 179.25 179.63 2crs h GLY 17 N 1.50 0.74 0.00 0.00 0.00 -1.91 -3.48 103.07 99.92 2crs h GLY 17 Ca -0.00 -1.34 0.00 0.00 0.00 0.00 0.00 47.33 45.99 2crs h GLY 17 CO 0.08 1.19 0.00 0.28 0.00 0.00 0.00 176.54 178.08 2crs n LYS 18 N -3.83 0.00 0.00 4.80 4.76 -1.01 -4.97 118.16 117.91 2crs n LYS 18 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 2crs n LYS 18 Cb 0.90 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.09 2crs n LYS 18 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2crs n ASN 19 N 0.00 0.00 -4.70 4.39 0.23 -0.94 -4.26 115.26 109.98 2crs n ASN 19 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 2crs n ASN 19 Cb 0.00 0.25 -0.06 0.00 -2.08 0.00 0.00 39.78 37.89 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 -4.10 3.35 -0.31 -4.53 1.02 -0.92 -4.87 118.68 108.33 2crs s LEU 20 Ca 0.00 -0.57 -0.10 0.00 0.02 0.00 0.00 54.13 53.48 2crs s LEU 20 Cb 0.00 -1.87 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 2crs s LEU 20 CO 0.00 -0.06 0.15 0.00 0.02 0.00 0.00 176.35 176.46 2crs s TYR 22 N 1.61 3.53 -0.23 0.00 5.04 0.75 -1.03 117.35 127.03 2crs s TYR 22 Ca 0.04 0.52 -0.05 0.00 -2.44 0.00 0.00 57.07 55.14 2crs s TYR 22 Cb -0.17 -2.10 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 2crs s TYR 22 CO 0.06 0.52 0.01 0.15 -1.34 0.00 0.00 175.55 174.95 2crs s LYS 23 N -0.38 3.53 -0.34 4.97 1.02 -0.54 -1.53 119.74 126.47 2crs s LYS 23 Ca 0.14 -0.55 -0.13 0.00 0.02 0.00 0.00 55.97 55.45 2crs s LYS 23 Cb -0.12 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2crs s LYS 23 CO 0.03 -0.16 0.26 1.41 -0.92 0.00 0.00 175.35 175.97 2crs s MET 24 N 1.45 3.54 -0.02 1.68 -2.45 -0.49 -1.86 119.30 121.15 2crs s MET 24 Ca 0.05 -0.58 0.08 0.00 -1.25 0.00 0.00 55.69 53.99 2crs s MET 24 Cb -0.15 -3.80 -0.02 0.00 1.25 0.00 0.00 34.83 32.12 2crs s MET 24 CO 0.00 -0.44 -0.25 -0.59 1.05 0.00 0.00 175.02 174.79 2crs s PHE 25 N 1.78 2.35 0.13 4.11 -0.71 -0.63 -1.27 117.98 123.74 2crs s PHE 25 Ca 0.07 -0.42 0.02 0.00 -1.04 0.00 0.00 56.93 55.56 2crs s PHE 25 Cb -0.17 -1.50 -0.04 0.00 -1.21 0.00 0.00 43.02 40.10 2crs s PHE 25 CO 0.11 -0.01 0.24 0.00 -1.34 0.00 0.00 175.22 174.21 2crs s MET 26 N -0.68 3.33 -0.09 1.99 0.23 -0.52 -1.52 119.30 122.05 2crs s MET 26 Ca 0.10 -0.61 0.14 0.00 -1.03 0.00 0.00 55.69 54.29 2crs s MET 26 Cb -0.10 -2.92 0.28 0.00 -1.53 0.00 0.00 34.83 30.56 2crs s MET 26 CO -0.01 0.54 1.13 1.33 -2.03 0.00 0.00 175.02 175.98 2crs n VAL 27 N -0.29 1.08 0.00 5.16 0.24 -1.26 -2.08 118.33 121.18 2crs n VAL 27 Ca -0.07 -1.66 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 2crs n VAL 27 Cb 0.53 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2crs n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2crs n ALA 28 N -0.58 0.00 -0.09 2.33 0.00 -1.26 -4.52 120.51 116.39 2crs n ALA 28 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 2crs n ALA 28 Cb 0.78 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.11 2crs n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2crs h THR 29 N 0.00 1.01 -0.97 0.00 1.35 -2.01 -3.47 112.91 108.82 2crs h THR 29 Ca 0.00 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 2crs h THR 29 Cb 0.00 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2crs h THR 29 CO 0.00 0.38 0.00 -0.81 -0.25 0.00 0.00 175.52 174.84 2crs n PRO 30 N -4.40 2.38 -2.97 4.72 -0.04 -1.26 -5.11 135.00 128.32 2crs n PRO 30 Ca -0.29 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.19 2crs n PRO 30 Cb 0.68 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.14 2crs n PRO 30 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2crs s LYS 31 N 1.01 0.40 0.13 0.54 -2.85 -1.25 -4.26 119.74 113.46 2crs s LYS 31 Ca 0.00 -0.07 -0.25 0.00 -1.00 0.00 0.00 55.97 54.65 2crs s LYS 31 Cb 0.00 0.06 0.07 0.00 -2.06 0.00 0.00 37.83 35.90 2crs s LYS 31 CO 0.00 -0.60 0.82 0.14 0.10 0.00 0.00 175.35 175.81 2crs s VAL 32 N 2.08 0.00 -0.12 1.79 -7.23 -0.88 -4.98 120.40 111.06 2crs s VAL 32 Ca 0.16 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 59.67 2crs s VAL 32 Cb -0.00 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2crs s VAL 32 CO -0.14 0.00 0.98 -2.16 -0.31 0.00 0.00 175.10 173.48 2crs s PRO 33 N -3.44 4.40 -0.00 4.82 0.04 -1.26 -1.44 135.00 138.12 2crs s PRO 33 Ca 0.07 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2crs s PRO 33 Cb -0.02 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2crs s PRO 33 CO -0.04 -0.33 0.16 1.55 0.04 0.00 0.00 177.00 178.39 2crs n VAL 34 N 4.60 0.00 -4.16 -0.36 3.14 -0.39 -4.92 118.33 116.23 2crs n VAL 34 Ca 0.08 -0.40 -0.14 0.00 -2.96 0.00 0.00 64.34 60.93 2crs n VAL 34 Cb 0.49 0.98 -0.11 0.00 -1.06 0.00 0.00 33.84 34.13 2crs n VAL 34 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2crs s LYS 35 N -1.40 0.80 -0.24 1.45 -0.14 -0.89 -5.00 119.74 114.32 2crs s LYS 35 Ca 0.01 -1.12 -0.12 0.00 -1.36 0.00 0.00 55.97 53.38 2crs s LYS 35 Cb 0.03 -0.46 0.08 0.00 -1.68 0.00 0.00 37.83 35.80 2crs s LYS 35 CO 0.16 0.06 0.56 1.03 -0.76 0.00 0.00 175.35 176.41 2crs s ARG 36 N -2.76 0.54 0.00 1.68 0.52 -1.26 -1.40 118.95 116.27 2crs s ARG 36 Ca 0.04 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 2crs s ARG 36 Cb -0.03 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.66 2crs s ARG 36 CO -0.01 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.55 2crs n GLY 37 N 4.61 3.37 2.93 -3.53 0.00 -0.59 -4.79 105.19 107.19 2crs n GLY 37 Ca -0.18 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 0.44 0.36 -0.07 0.00 2.07 0.22 -4.83 121.20 119.39 2crs s ILE 39 Ca -0.05 -2.00 0.11 0.00 -1.41 0.00 0.00 60.65 57.29 2crs s ILE 39 Cb -0.09 -2.58 0.16 0.00 0.13 0.00 0.00 42.46 40.08 2crs s ILE 39 CO -0.00 0.00 1.06 0.47 -1.91 0.00 0.00 174.94 174.56 2crs n ASP 40 N -0.53 1.93 -2.35 4.50 9.92 -1.26 -2.16 116.55 126.61 2crs n ASP 40 Ca 0.01 -2.56 -0.01 0.00 -0.53 0.00 0.00 54.79 51.70 2crs n ASP 40 Cb 0.66 -0.26 0.06 0.00 -0.64 0.00 0.00 41.12 40.94 2crs n ASP 40 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2crs n VAL 41 N -0.96 0.50 0.00 2.53 0.24 -1.26 -5.05 118.33 114.33 2crs n VAL 41 Ca 0.09 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 2crs n VAL 41 Cb 0.52 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 2crs n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2crs s PRO 43 N 0.00 3.72 0.36 0.00 0.04 -1.26 -5.03 135.00 132.83 2crs s PRO 43 Ca 0.00 0.47 0.09 0.00 0.04 0.00 0.00 61.00 61.60 2crs s PRO 43 Cb 0.00 -3.87 -0.06 0.00 0.04 0.00 0.00 34.50 30.61 2crs s PRO 43 CO 0.00 -1.17 -0.02 -1.59 0.04 0.00 0.00 177.00 174.26 2crs s LYS 44 N 3.88 1.96 0.00 4.56 -2.85 -1.26 -4.75 119.74 121.29 2crs s LYS 44 Ca 0.41 -1.90 0.00 0.00 -1.00 0.00 0.00 55.97 53.48 2crs s LYS 44 Cb -0.10 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 2crs s LYS 44 CO 0.25 0.08 0.00 0.45 0.10 0.00 0.00 175.35 176.23 2crs n SER 45 N -0.92 -1.69 -0.38 0.03 2.88 -1.26 -4.99 113.62 107.29 2crs n SER 45 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2crs n SER 45 Cb 0.64 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2crs n SER 45 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crs n SER 46 N -0.01 0.00 -0.92 -3.46 7.64 -1.24 -4.98 113.62 110.66 2crs n SER 46 Ca 0.00 -1.16 -0.10 0.00 1.01 0.00 0.00 58.87 58.62 2crs n SER 46 Cb 0.00 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 2crs n SER 46 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2crs n LEU 47 N 0.00 -0.45 0.00 -3.43 4.32 -1.26 -4.40 117.00 111.78 2crs n LEU 47 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 2crs n LEU 47 Cb 0.53 -2.23 0.00 0.00 -1.62 0.00 0.00 43.42 40.10 2crs n LEU 47 CO 0.00 -0.82 0.00 -0.11 -1.22 0.00 0.00 177.39 175.24 2crs n LEU 48 N -1.29 0.00 0.00 2.23 -0.00 -1.26 -5.01 117.00 111.66 2crs n LEU 48 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2crs n LEU 48 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2crs n LEU 48 CO 0.15 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 178.06 2crs n VAL 49 N 0.00 0.00 -4.09 1.96 0.31 -1.26 -4.27 118.33 110.98 2crs n VAL 49 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2crs n VAL 49 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 2crs n VAL 49 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2crs s LYS 50 N 0.00 2.96 0.04 5.55 -2.85 -0.57 -3.72 119.74 121.15 2crs s LYS 50 Ca 0.00 -0.59 0.02 0.00 -1.00 0.00 0.00 55.97 54.40 2crs s LYS 50 Cb 0.00 -2.78 -0.02 0.00 -2.06 0.00 0.00 37.83 32.96 2crs s LYS 50 CO 0.00 0.61 -0.08 0.71 0.10 0.00 0.00 175.35 176.69 2crs s TYR 51 N -1.28 0.69 -0.04 1.78 1.51 -1.26 -1.61 117.35 117.15 2crs s TYR 51 Ca 0.26 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2crs s TYR 51 Cb -0.12 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.33 2crs s TYR 51 CO 0.18 -0.08 -0.04 0.54 -1.11 0.00 0.00 175.55 175.03 2crs s VAL 52 N -1.43 0.49 0.41 0.71 0.11 -0.78 -4.74 120.40 115.17 2crs s VAL 52 Ca -0.09 -0.12 0.08 0.00 -2.93 0.00 0.00 61.98 58.91 2crs s VAL 52 Cb -0.10 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2crs s VAL 52 CO 0.00 0.20 0.40 0.00 -3.33 0.00 0.00 175.10 172.37 2crs n ASN 55 N -0.01 0.00 -1.54 0.00 2.85 -1.26 -2.01 115.26 113.29 2crs n ASN 55 Ca -0.11 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.26 2crs n ASN 55 Cb 0.59 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.71 2crs n ASN 55 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2crs n THR 56 N 0.00 1.98 -1.43 -0.44 5.66 -1.26 -5.01 114.28 113.79 2crs n THR 56 Ca 0.00 -0.90 0.15 0.00 -3.05 0.00 0.00 64.05 60.26 2crs n THR 56 Cb 0.00 -0.70 -0.08 0.00 -1.55 0.00 0.00 70.33 67.99 2crs n THR 56 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2crs n ASP 57 N -0.22 -7.49 0.00 1.09 2.03 -1.26 -4.70 116.55 106.00 2crs n ASP 57 Ca 0.27 1.43 0.00 0.00 0.52 0.00 0.00 54.79 57.01 2crs n ASP 57 Cb 1.03 -4.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 2crs n ASP 57 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2crs n ARG 58 N -4.16 0.00 -0.01 -0.67 3.00 -1.26 -4.38 116.66 109.17 2crs n ARG 58 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 2crs n ARG 58 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.11 2crs n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63