#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1drs s ILE 2 N 0.00 0.24 0.03 8.89 1.01 -1.26 -1.02 121.20 129.08 1drs s ILE 2 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1drs s ILE 2 Cb 0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.23 1drs s ILE 2 CO 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 174.94 175.01 1drs s TYR 4 N -2.40 3.24 -0.45 0.00 2.02 -1.26 -0.92 117.35 117.58 1drs s TYR 4 Ca -0.07 0.14 0.09 0.00 -0.37 0.00 0.00 57.07 56.87 1drs s TYR 4 Cb -0.03 -1.68 0.36 0.00 -0.40 0.00 0.00 41.96 40.21 1drs s TYR 4 CO -0.04 0.53 0.87 -1.71 -1.57 0.00 0.00 175.55 173.63 1drs n ASN 5 N 0.86 2.61 0.00 2.29 5.15 -0.92 -3.95 115.26 121.31 1drs n ASN 5 Ca -0.11 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.57 1drs n ASN 5 Cb 0.52 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1drs n HIS 6 N -0.02 0.00 -4.40 1.20 8.25 -1.19 -4.72 115.22 114.34 1drs n HIS 6 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1drs n HIS 6 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1drs n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1drs n LEU 7 N 0.00 0.00 0.00 2.41 4.77 -0.91 -4.59 117.00 118.68 1drs n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1drs n LEU 7 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1drs n LEU 7 CO 0.00 -1.10 0.00 0.61 -1.33 0.00 0.00 177.39 175.57 1drs n GLY 8 N 0.00 1.97 1.62 -0.72 0.00 -1.26 -3.38 105.19 103.42 1drs n GLY 8 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1drs n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1drs n THR 9 N 0.00 0.00 -3.64 2.61 -1.04 -1.26 -5.12 114.28 105.83 1drs n THR 9 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1drs n THR 9 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1drs n THR 9 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1drs s LYS 10 N -1.99 3.64 0.00 -2.82 1.02 -1.22 -5.05 119.74 113.33 1drs s LYS 10 Ca 0.00 -0.52 0.26 0.00 0.02 0.00 0.00 55.97 55.74 1drs s LYS 10 Cb 0.00 -3.57 0.73 0.00 -0.52 0.00 0.00 37.83 34.47 1drs s LYS 10 CO 0.00 -0.29 1.55 -0.35 -0.92 0.00 0.00 175.35 175.35 1drs n PRO 11 N 5.01 0.59 0.11 -1.68 -0.04 -1.26 -2.14 135.00 135.59 1drs n PRO 11 Ca -0.14 -0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.11 1drs n PRO 11 Cb 0.51 -1.49 0.35 0.00 -0.04 0.00 0.00 33.50 32.83 1drs n PRO 11 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1drs h PRO 12 N 0.81 0.00 -6.49 0.54 0.11 -1.96 -3.39 132.00 121.61 1drs h PRO 12 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1drs h PRO 12 Cb 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1drs h PRO 12 CO 0.00 0.00 -0.16 0.95 -0.21 0.00 0.00 178.00 178.58 1drs s THR 13 N -3.12 5.05 0.07 -1.15 -4.23 -1.26 -5.02 115.64 105.98 1drs s THR 13 Ca 0.10 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1drs s THR 13 Cb 0.12 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1drs s THR 13 CO 0.62 -0.38 -0.01 0.42 -0.54 0.00 0.00 174.62 174.73 1drs s THR 14 N -2.14 0.23 -0.20 3.99 -4.23 -1.26 -2.16 115.64 109.87 1drs s THR 14 Ca 0.43 -1.84 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1drs s THR 14 Cb -0.10 -1.66 0.05 0.00 1.34 0.00 0.00 72.50 72.12 1drs s THR 14 CO 0.32 -0.86 -0.05 -1.61 -0.54 0.00 0.00 174.62 171.88 1drs s GLU 15 N -3.94 1.53 -0.05 3.99 2.02 -0.10 -4.82 118.70 117.33 1drs s GLU 15 Ca 0.12 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 1drs s GLU 15 Cb 0.08 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1drs s GLU 15 CO -0.07 -0.51 1.30 0.99 0.02 0.00 0.00 175.26 177.00 1drs s THR 16 N 1.53 4.04 0.02 3.63 2.01 -1.26 -2.47 115.64 123.15 1drs s THR 16 Ca -0.02 1.37 0.06 0.00 0.31 0.00 0.00 61.69 63.41 1drs s THR 16 Cb -0.17 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1drs s THR 16 CO -0.07 -0.03 -0.19 0.00 -0.69 0.00 0.00 174.62 173.64 1drs n GLN 18 N 2.12 1.19 -0.31 0.00 1.13 -1.26 0.74 117.38 120.99 1drs n GLN 18 Ca -0.16 -2.40 0.11 0.00 -1.94 0.00 0.00 57.00 52.61 1drs n GLN 18 Cb 0.54 -0.53 0.29 0.00 0.11 0.00 0.00 30.24 30.64 1drs n GLN 18 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1drs n GLU 19 N -0.42 2.53 0.00 -1.09 1.02 -1.26 -4.95 120.64 116.47 1drs n GLU 19 Ca 0.01 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.78 1drs n GLU 19 Cb 0.84 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1drs n GLU 19 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1drs n ASP 20 N 1.45 0.00 -3.45 1.62 9.92 -1.26 -5.00 116.55 119.83 1drs n ASP 20 Ca 0.22 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.34 1drs n ASP 20 Cb 0.57 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.02 1drs n ASP 20 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1drs s SER 21 N -0.03 -0.60 0.05 -2.24 0.15 -1.26 -4.72 113.70 105.06 1drs s SER 21 Ca 0.00 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.85 1drs s SER 21 Cb 0.00 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1drs s SER 21 CO 0.00 -0.87 -0.03 0.00 1.20 0.00 0.00 173.24 173.54 1drs s TYR 23 N -3.72 1.71 -0.29 0.00 -0.85 -0.11 -1.40 117.35 112.68 1drs s TYR 23 Ca 0.06 -0.49 -0.05 0.00 -0.52 0.00 0.00 57.07 56.07 1drs s TYR 23 Cb 0.06 -0.86 0.02 0.00 0.38 0.00 0.00 41.96 41.56 1drs s TYR 23 CO -0.09 0.28 0.04 0.15 -1.52 0.00 0.00 175.55 174.40 1drs s LYS 24 N -2.74 2.86 -0.25 -3.49 -0.14 -0.57 -2.55 119.74 112.86 1drs s LYS 24 Ca 0.14 -1.00 -0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1drs s LYS 24 Cb -0.06 -3.26 0.04 0.00 -1.68 0.00 0.00 37.83 32.87 1drs s LYS 24 CO 0.06 -0.49 -0.08 1.21 -0.76 0.00 0.00 175.35 175.28 1drs s ASN 25 N 1.41 4.29 0.00 2.83 2.47 -1.26 -2.94 114.94 121.74 1drs s ASN 25 Ca 0.00 -1.03 0.00 0.00 0.42 0.00 0.00 52.86 52.25 1drs s ASN 25 Cb -0.18 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.00 1drs s ASN 25 CO 0.00 -0.15 0.00 2.30 -3.72 0.00 0.00 177.10 175.53 1drs n ILE 26 N 4.60 0.00 0.00 -5.21 -0.00 -1.25 -2.34 119.36 115.15 1drs n ILE 26 Ca -0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 62.75 62.39 1drs n ILE 26 Cb 0.46 0.71 0.00 0.00 -0.00 0.00 0.00 39.64 40.80 1drs n ILE 26 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.55 173.88 1drs n TRP 27 N -0.94 0.00 -0.58 4.28 2.14 -1.24 -3.42 117.44 117.68 1drs n TRP 27 Ca 0.00 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.64 1drs n TRP 27 Cb 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.47 1drs n TRP 27 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1drs n THR 28 N 0.00 -0.05 -0.08 -1.67 5.66 -1.26 -0.72 114.28 116.17 1drs n THR 28 Ca 0.00 0.22 -0.10 0.00 -3.05 0.00 0.00 64.05 61.12 1drs n THR 28 Cb 0.00 -0.42 -0.03 0.00 -1.55 0.00 0.00 70.33 68.33 1drs n THR 28 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1drs h PHE 29 N -0.56 0.38 0.00 1.09 0.04 -2.01 -3.19 116.94 112.69 1drs h PHE 29 Ca -0.04 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1drs h PHE 29 Cb 0.55 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1drs h PHE 29 CO 0.01 0.37 0.00 -0.40 -0.60 0.00 0.00 178.31 177.69 1drs n ASP 30 N -4.80 0.00 -2.76 2.17 5.75 -1.26 -4.97 116.55 110.68 1drs n ASP 30 Ca -0.03 -0.37 -0.03 0.00 -0.01 0.00 0.00 54.79 54.35 1drs n ASP 30 Cb 0.11 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1drs n ASN 31 N -1.15 -7.06 -3.48 -1.12 3.02 -1.06 -5.05 115.26 99.37 1drs n ASN 31 Ca 0.14 0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.76 1drs n ASN 31 Cb 0.13 -4.75 -0.02 0.00 -0.61 0.00 0.00 39.78 34.53 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1drs s ILE 32 N -2.72 0.00 -0.95 2.41 1.10 0.11 -5.00 121.20 116.15 1drs s ILE 32 Ca 0.10 -0.10 -0.10 0.00 -0.51 0.00 0.00 60.65 60.04 1drs s ILE 32 Cb -0.03 -1.11 0.24 0.00 0.15 0.00 0.00 42.46 41.72 1drs s ILE 32 CO 0.65 0.00 0.91 -0.63 -2.11 0.00 0.00 174.94 173.76 1drs s ILE 33 N -3.65 5.61 -0.23 2.00 1.01 -1.26 -3.61 121.20 121.07 1drs s ILE 33 Ca 0.03 -3.05 0.02 0.00 0.00 0.00 0.00 60.65 57.65 1drs s ILE 33 Cb -0.01 -4.42 0.05 0.00 0.01 0.00 0.00 42.46 38.09 1drs s ILE 33 CO -0.10 -1.10 -0.09 -0.60 0.00 0.00 0.00 174.94 173.05 1drs s ARG 34 N -0.63 2.00 0.02 2.79 3.52 -0.99 -4.67 118.95 121.00 1drs s ARG 34 Ca 0.24 -1.07 -0.01 0.00 -0.13 0.00 0.00 55.73 54.77 1drs s ARG 34 Cb -0.10 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 1drs s ARG 34 CO -0.09 -0.53 0.05 2.89 -0.81 0.00 0.00 175.30 176.81 1drs n ARG 35 N 4.59 0.07 -3.20 5.12 -4.01 -1.25 -4.51 116.66 113.46 1drs n ARG 35 Ca -0.14 -0.14 0.00 0.00 -1.04 0.00 0.00 57.85 56.53 1drs n ARG 35 Cb 0.44 0.17 0.00 0.00 -3.04 0.00 0.00 32.46 30.03 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1drs n GLY 36 N -0.03 -1.23 3.61 2.89 0.00 -1.06 -3.87 105.19 105.51 1drs n GLY 36 Ca -0.00 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1drs n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n GLY 38 N 4.77 0.46 0.00 0.00 0.00 -1.08 -4.96 105.19 104.38 1drs n GLY 38 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1drs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n PHE 40 N 0.00 -1.64 -2.90 0.00 3.72 -1.26 -5.00 117.46 110.38 1drs n PHE 40 Ca 0.00 0.60 -0.41 0.00 -0.05 0.00 0.00 57.45 57.59 1drs n PHE 40 Cb 0.00 -3.74 -0.04 0.00 -0.94 0.00 0.00 39.48 34.76 1drs n PHE 40 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1drs s THR 41 N -3.26 4.88 0.88 4.37 -4.23 -1.26 -5.06 115.64 111.96 1drs s THR 41 Ca 0.24 1.61 -0.13 0.00 -1.18 0.00 0.00 61.69 62.23 1drs s THR 41 Cb -0.03 -4.13 0.13 0.00 1.34 0.00 0.00 72.50 69.81 1drs s THR 41 CO 0.51 0.01 1.20 -2.16 -0.54 0.00 0.00 174.62 173.64 1drs s PRO 42 N 2.25 1.35 -0.84 3.99 0.04 -1.26 -4.94 135.00 135.60 1drs s PRO 42 Ca 0.37 0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.39 1drs s PRO 42 Cb -0.16 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1drs s PRO 42 CO 0.11 -2.01 2.88 -2.13 0.04 0.00 0.00 177.00 175.89 1drs n ARG 43 N -3.58 3.22 -0.06 4.56 3.00 -1.26 -4.47 116.66 118.06 1drs n ARG 43 Ca 0.09 -2.37 0.10 0.00 -0.00 0.00 0.00 57.85 55.67 1drs n ARG 43 Cb 0.60 -2.38 0.12 0.00 0.00 0.00 0.00 32.46 30.80 1drs n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1drs n GLY 44 N 1.97 0.94 2.56 5.14 0.00 -1.26 -5.00 105.19 109.54 1drs n GLY 44 Ca 0.57 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1drs n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1drs n ASP 45 N 1.11 -4.23 -4.18 1.61 8.00 -1.26 -5.05 116.55 112.54 1drs n ASP 45 Ca 0.13 -0.26 -0.33 0.00 0.71 0.00 0.00 54.79 55.04 1drs n ASP 45 Cb 0.49 -2.86 -0.16 0.00 -0.02 0.00 0.00 41.12 38.57 1drs n ASP 45 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1drs s MET 46 N -5.59 3.07 -0.09 -1.24 1.75 -1.26 -5.11 119.30 110.83 1drs s MET 46 Ca 0.28 -0.81 -0.30 0.00 -1.25 0.00 0.00 55.69 53.61 1drs s MET 46 Cb -0.12 -2.55 -0.02 0.00 2.84 0.00 0.00 34.83 34.97 1drs s MET 46 CO 0.35 -0.08 1.17 -1.25 -0.65 0.00 0.00 175.02 174.55 1drs s PRO 47 N 1.01 4.34 0.34 4.11 0.04 -1.26 -4.96 135.00 138.62 1drs s PRO 47 Ca -0.02 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1drs s PRO 47 Cb -0.15 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1drs s PRO 47 CO -0.05 -0.48 0.10 0.20 0.04 0.00 0.00 177.00 176.81 1drs s GLY 48 N 1.48 2.21 0.97 0.56 0.00 -1.26 -5.17 107.32 106.11 1drs s GLY 48 Ca 0.54 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.42 1drs s GLY 48 CO 0.19 -1.76 0.44 -1.05 0.00 0.00 0.00 173.10 170.92 1drs n PRO 49 N -0.72 -0.49 -3.19 2.90 -0.02 -1.26 -5.00 135.00 127.22 1drs n PRO 49 Ca -0.03 -0.10 -0.39 0.00 -2.02 0.00 0.00 63.50 60.96 1drs n PRO 49 Cb 0.66 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 1drs n PRO 49 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1drs s TYR 50 N -2.40 3.52 0.21 6.00 -0.85 -1.15 -4.90 117.35 117.78 1drs s TYR 50 Ca 0.58 1.03 0.11 0.00 -0.52 0.00 0.00 57.07 58.26 1drs s TYR 50 Cb -0.20 -2.67 -0.04 0.00 0.38 0.00 0.00 41.96 39.42 1drs s TYR 50 CO 0.66 0.10 -0.19 0.00 -1.52 0.00 0.00 175.55 174.61 1drs n GLU 53 N -0.33 2.41 -4.08 0.00 0.00 -1.26 -1.59 120.64 115.79 1drs n GLU 53 Ca -0.00 -3.75 -0.10 0.00 0.00 0.00 0.00 57.16 53.31 1drs n GLU 53 Cb 0.66 -1.85 -0.11 0.00 0.00 0.00 0.00 31.44 30.14 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs s SER 54 N -3.73 0.72 0.11 -1.84 0.15 -1.26 -4.95 113.70 102.90 1drs s SER 54 Ca 0.36 -0.74 -0.33 0.00 0.70 0.00 0.00 55.95 55.93 1drs s SER 54 Cb 0.35 0.10 -0.13 0.00 -1.71 0.00 0.00 66.02 64.63 1drs s SER 54 CO -0.01 -0.37 1.70 -0.67 1.20 0.00 0.00 173.24 175.09 1drs n ASP 55 N 0.85 3.45 0.00 5.45 2.03 -1.26 -3.96 116.55 123.11 1drs n ASP 55 Ca -0.19 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.16 1drs n ASP 55 Cb 0.57 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1drs n ASP 55 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1drs n LYS 56 N 4.52 0.00 -2.44 -0.67 4.01 -0.99 -4.81 118.16 117.77 1drs n LYS 56 Ca 0.18 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.96 1drs n LYS 56 Cb 0.31 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.84 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1drs n ASN 58 N -1.71 -4.31 0.00 0.00 4.13 -1.26 -5.00 115.26 107.10 1drs n ASN 58 Ca -0.01 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1drs n ASN 58 Cb 0.52 -2.71 0.00 0.00 -1.54 0.00 0.00 39.78 36.04 1drs n ASN 58 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43