#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrp s LYS 2 N 0.00 3.08 0.29 0.00 -2.85 -1.26 -2.11 119.74 116.89 1zrp s LYS 2 Ca 0.00 -0.86 0.08 0.00 -1.00 0.00 0.00 55.97 54.20 1zrp s LYS 2 Cb 0.00 -2.35 -0.04 0.00 -2.06 0.00 0.00 37.83 33.38 1zrp s LYS 2 CO 0.00 0.17 0.12 -1.58 0.10 0.00 0.00 175.35 174.16 1zrp s TRP 3 N 0.38 2.85 0.09 1.78 0.52 0.14 -2.17 118.94 122.53 1zrp s TRP 3 Ca -0.17 -0.23 0.05 0.00 0.02 0.00 0.00 56.10 55.77 1zrp s TRP 3 Cb -0.18 -1.43 -0.03 0.00 -1.15 0.00 0.00 33.47 30.69 1zrp s TRP 3 CO 0.08 0.48 -0.13 0.54 0.02 0.00 0.00 176.95 177.93 1zrp s VAL 4 N -2.29 1.12 -0.35 4.03 0.11 0.17 0.43 120.40 123.63 1zrp s VAL 4 Ca 0.34 -1.46 -0.24 0.00 -2.93 0.00 0.00 61.98 57.69 1zrp s VAL 4 Cb -0.06 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1zrp s VAL 4 CO 0.23 -0.34 0.83 0.00 -3.33 0.00 0.00 175.10 172.49 1zrp h LYS 6 N 8.37 0.00 0.00 0.00 1.63 -1.72 -1.79 116.57 123.07 1zrp h LYS 6 Ca -0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1zrp h LYS 6 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1zrp h LYS 6 CO 0.92 0.03 -0.04 0.82 -3.45 0.00 0.00 179.45 177.74 1zrp h ILE 7 N 0.00 0.00 0.00 2.00 2.04 -1.92 -3.42 117.51 116.21 1zrp h ILE 7 Ca -0.00 -0.19 -0.27 0.00 1.00 0.00 0.00 64.86 65.40 1zrp h ILE 7 Cb 0.10 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 1zrp h ILE 7 CO 0.00 0.00 -1.67 0.00 0.00 0.00 0.00 178.15 176.48 1zrp n GLY 9 N 1.53 0.97 3.80 0.00 0.00 -0.67 -5.09 105.19 105.73 1zrp n GLY 9 Ca -0.16 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1zrp n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1zrp s TYR 10 N -2.00 2.57 -0.03 1.61 5.04 -1.25 -4.82 117.35 118.46 1zrp s TYR 10 Ca 0.00 0.83 -0.03 0.00 -2.44 0.00 0.00 57.07 55.44 1zrp s TYR 10 Cb 0.00 -3.41 0.01 0.00 0.35 0.00 0.00 41.96 38.91 1zrp s TYR 10 CO 0.00 -2.29 0.08 0.42 -1.34 0.00 0.00 175.55 172.43 1zrp s ILE 11 N -3.32 -0.00 -0.21 3.14 1.09 -1.26 0.58 121.20 121.22 1zrp s ILE 11 Ca 0.64 0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 60.07 1zrp s ILE 11 Cb -0.14 -0.13 -0.05 0.00 -1.06 0.00 0.00 42.46 41.08 1zrp s ILE 11 CO 0.53 0.00 0.23 -0.47 -0.10 0.00 0.00 174.94 175.14 1zrp s TYR 12 N 0.11 3.37 -0.31 3.97 5.04 0.17 -4.95 117.35 124.75 1zrp s TYR 12 Ca -0.01 0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.98 1zrp s TYR 12 Cb -0.01 -2.32 0.03 0.00 0.35 0.00 0.00 41.96 40.01 1zrp s TYR 12 CO -0.00 0.12 0.06 0.34 -1.34 0.00 0.00 175.55 174.73 1zrp s ASP 13 N 0.81 5.06 0.47 4.32 -1.08 -1.26 0.27 116.67 125.26 1zrp s ASP 13 Ca 0.12 -1.00 0.13 0.00 -0.52 0.00 0.00 52.55 51.29 1zrp s ASP 13 Cb -0.13 -1.82 1.09 0.00 -1.46 0.00 0.00 42.92 40.59 1zrp s ASP 13 CO 0.04 -0.25 2.07 -0.33 0.52 0.00 0.00 175.17 177.22 1zrp h GLU 14 N 8.16 0.12 0.00 4.34 5.08 -1.67 0.16 114.58 130.77 1zrp h GLU 14 Ca -0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1zrp h GLU 14 Cb 1.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1zrp h GLU 14 CO 0.59 0.14 -0.10 0.22 -1.00 0.00 0.00 179.01 178.86 1zrp h ASP 15 N 0.12 0.00 0.35 1.42 3.58 -1.82 -2.37 116.42 117.70 1zrp h ASP 15 Ca 0.03 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.16 1zrp h ASP 15 Cb 0.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1zrp h ASP 15 CO 0.00 0.10 -1.70 0.00 -2.88 0.00 0.00 179.24 174.76 1zrp h ALA 16 N 1.90 0.39 0.00 -0.78 0.00 -1.10 -3.40 119.26 116.27 1zrp h ALA 16 Ca -0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1zrp h ALA 16 Cb 1.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1zrp h ALA 16 CO 0.01 1.25 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1zrp n GLY 17 N 1.75 -2.62 2.68 0.00 0.00 -0.65 -4.64 105.19 101.72 1zrp n GLY 17 Ca -0.21 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 1zrp n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zrp n ASP 18 N -0.38 -1.80 0.33 1.61 2.03 -0.83 -4.84 116.55 112.69 1zrp n ASP 18 Ca 0.00 -2.37 0.21 0.00 0.52 0.00 0.00 54.79 53.14 1zrp n ASP 18 Cb 0.00 0.97 1.10 0.00 -0.72 0.00 0.00 41.12 42.47 1zrp n ASP 18 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1zrp h PRO 19 N 1.81 0.00 -0.22 -0.67 0.13 -0.42 0.34 132.00 132.97 1zrp h PRO 19 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1zrp h PRO 19 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1zrp h PRO 19 CO -0.09 0.00 0.07 -0.44 -0.23 0.00 0.00 178.00 177.31 1zrp h ASP 20 N 0.00 0.27 0.00 1.44 5.19 -1.94 -2.03 116.42 119.34 1zrp h ASP 20 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1zrp h ASP 20 Cb 0.18 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1zrp h ASP 20 CO -0.00 0.26 -0.00 0.59 -3.12 0.00 0.00 179.24 176.97 1zrp n ASN 21 N -4.43 2.31 -0.33 6.45 3.02 -0.50 -4.95 115.26 116.83 1zrp n ASN 21 Ca 0.00 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1zrp n ASN 21 Cb 0.13 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1zrp n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zrp n GLY 22 N -1.36 0.81 2.95 7.41 0.00 -0.76 -5.09 105.19 109.15 1zrp n GLY 22 Ca 0.15 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1zrp n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zrp s ILE 23 N -2.32 0.82 0.10 -0.61 1.09 -0.01 -4.93 121.20 115.34 1zrp s ILE 23 Ca 0.00 -0.28 -0.22 0.00 -1.10 0.00 0.00 60.65 59.05 1zrp s ILE 23 Cb 0.00 -0.79 -0.07 0.00 -1.06 0.00 0.00 42.46 40.54 1zrp s ILE 23 CO 0.00 0.29 0.65 -0.55 -0.10 0.00 0.00 174.94 175.23 1zrp s SER 24 N 0.84 7.18 -0.85 3.58 0.15 -1.26 0.39 113.70 123.72 1zrp s SER 24 Ca -0.12 1.40 -0.21 0.00 0.70 0.00 0.00 55.95 57.72 1zrp s SER 24 Cb -0.15 -2.41 -0.20 0.00 -1.71 0.00 0.00 66.02 61.55 1zrp s SER 24 CO 0.01 0.23 2.33 -2.65 1.20 0.00 0.00 173.24 174.37 1zrp n PRO 25 N 1.78 0.39 0.00 5.44 -0.02 -1.26 -0.99 135.00 140.35 1zrp n PRO 25 Ca -0.08 -0.61 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1zrp n PRO 25 Cb 0.50 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zrp n GLY 26 N 6.41 0.64 3.79 -1.23 0.00 -0.89 -4.94 105.19 108.98 1zrp n GLY 26 Ca 0.53 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 1zrp n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zrp s THR 27 N -0.69 4.42 0.71 2.61 2.01 -0.16 -4.98 115.64 119.56 1zrp s THR 27 Ca 0.00 1.58 -0.06 0.00 0.31 0.00 0.00 61.69 63.52 1zrp s THR 27 Cb 0.00 -4.04 0.07 0.00 0.01 0.00 0.00 72.50 68.54 1zrp s THR 27 CO 0.00 0.40 1.01 -0.54 -0.69 0.00 0.00 174.62 174.80 1zrp s LYS 28 N -1.48 2.09 0.02 4.92 1.02 -1.26 -4.58 119.74 120.48 1zrp s LYS 28 Ca 0.39 -0.38 -0.18 0.00 0.02 0.00 0.00 55.97 55.82 1zrp s LYS 28 Cb -0.21 -2.19 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 1zrp s LYS 28 CO 0.24 -1.28 1.18 0.35 -0.92 0.00 0.00 175.35 174.92 1zrp h PHE 29 N -0.60 -0.60 -0.26 3.18 3.57 -1.97 -0.08 116.94 120.18 1zrp h PHE 29 Ca -0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1zrp h PHE 29 Cb 1.31 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1zrp h PHE 29 CO 0.20 -0.38 0.00 0.39 -2.23 0.00 0.00 178.31 176.30 1zrp n GLU 30 N -3.88 2.19 -0.44 1.11 1.02 -1.26 -0.80 120.64 118.58 1zrp n GLU 30 Ca -0.08 -1.18 0.08 0.00 -0.02 0.00 0.00 57.16 55.96 1zrp n GLU 30 Cb 0.26 -1.56 0.25 0.00 -0.02 0.00 0.00 31.44 30.36 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1zrp n GLU 31 N 0.30 2.77 -1.88 3.49 4.07 -0.61 -5.00 120.64 123.79 1zrp n GLU 31 Ca 0.11 -2.84 -0.29 0.00 -0.06 0.00 0.00 57.16 54.07 1zrp n GLU 31 Cb 0.47 -1.83 0.08 0.00 -0.06 0.00 0.00 31.44 30.10 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1zrp s LEU 32 N -2.86 2.62 0.86 4.31 1.43 0.02 -4.43 118.68 120.63 1zrp s LEU 32 Ca 0.42 0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 54.27 1zrp s LEU 32 Cb 0.34 -3.50 -0.07 0.00 0.03 0.00 0.00 46.19 42.99 1zrp s LEU 32 CO 0.08 -1.74 -0.03 -0.81 0.23 0.00 0.00 176.35 174.08 1zrp n PRO 33 N -3.23 -0.01 -0.12 1.29 -0.04 -1.26 -4.88 135.00 126.75 1zrp n PRO 33 Ca 0.08 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1zrp n PRO 33 Cb 0.60 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zrp h ASP 34 N -0.89 0.45 -0.56 3.54 5.19 -1.99 -2.42 116.42 119.74 1zrp h ASP 34 Ca -0.44 -0.09 -0.35 0.00 -0.62 0.00 0.00 57.03 55.52 1zrp h ASP 34 Cb 1.32 -0.12 -0.22 0.00 0.18 0.00 0.00 39.33 40.50 1zrp h ASP 34 CO 0.33 0.42 -0.09 0.47 -3.12 0.00 0.00 179.24 177.25 1zrp n ASP 35 N -4.76 3.85 -4.64 6.45 8.00 -1.26 -4.98 116.55 119.20 1zrp n ASP 35 Ca -0.01 -3.78 -0.42 0.00 0.71 0.00 0.00 54.79 51.29 1zrp n ASP 35 Cb 0.08 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1zrp s TRP 36 N -3.43 1.31 0.33 1.24 -0.00 -0.92 -4.88 118.94 112.60 1zrp s TRP 36 Ca 0.50 -0.14 0.01 0.00 -0.00 0.00 0.00 56.10 56.47 1zrp s TRP 36 Cb 0.43 -4.14 0.01 0.00 -0.00 0.00 0.00 33.47 29.77 1zrp s TRP 36 CO 0.01 -5.02 0.09 1.33 -0.00 0.00 0.00 176.95 173.35 1zrp n VAL 37 N 6.14 0.00 -2.05 5.86 0.24 -1.26 -1.89 118.33 125.37 1zrp n VAL 37 Ca 0.22 -1.49 -0.42 0.00 -2.04 0.00 0.00 64.34 60.61 1zrp n VAL 37 Cb 0.42 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.91 1zrp n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1zrp h PRO 39 N 8.18 0.00 0.00 0.00 0.13 -1.93 -1.70 132.00 136.68 1zrp h PRO 39 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1zrp h PRO 39 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1zrp h PRO 39 CO 0.92 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.80 1zrp n ILE 40 N -2.52 0.00 0.50 -3.56 -0.00 -1.26 -4.82 119.36 107.71 1zrp n ILE 40 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.86 1zrp n ILE 40 Cb 0.17 -0.91 0.32 0.00 -0.00 0.00 0.00 39.64 39.23 1zrp n ILE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1zrp n GLY 42 N 1.25 1.53 3.65 0.00 0.00 -0.64 -4.99 105.19 105.99 1zrp n GLY 42 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1zrp n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrp s ALA 43 N -2.42 3.44 0.97 4.61 0.00 -1.26 -3.94 121.76 123.17 1zrp s ALA 43 Ca 0.00 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1zrp s ALA 43 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1zrp s ALA 43 CO 0.00 -1.76 -0.01 -2.30 0.00 0.00 0.00 175.76 171.69 1zrp n PRO 44 N 7.68 -0.21 0.07 0.00 -0.02 -1.26 0.39 135.00 141.65 1zrp n PRO 44 Ca 0.21 -0.03 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1zrp n PRO 44 Cb 0.42 -1.57 0.27 0.00 -0.02 0.00 0.00 33.50 32.60 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1zrp n LYS 45 N -0.29 0.06 -0.10 -0.52 2.85 -0.79 -2.13 118.16 117.24 1zrp n LYS 45 Ca 0.04 0.54 0.00 0.00 -1.05 0.00 0.00 58.31 57.84 1zrp n LYS 45 Cb 0.55 -1.70 0.29 0.00 -0.65 0.00 0.00 35.03 33.52 1zrp n LYS 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1zrp h SER 46 N 0.00 0.67 -0.62 -5.58 0.87 -1.87 0.15 113.55 107.18 1zrp h SER 46 Ca 0.00 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.31 1zrp h SER 46 Cb 0.02 -0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 61.70 1zrp h SER 46 CO 0.00 0.57 0.24 -0.62 -0.53 0.00 0.00 176.83 176.49 1zrp n GLU 47 N -4.37 3.22 -3.54 2.24 -0.58 -0.90 -4.83 120.64 111.87 1zrp n GLU 47 Ca 0.05 -2.50 -0.40 0.00 -0.42 0.00 0.00 57.16 53.88 1zrp n GLU 47 Cb 0.12 -2.05 -0.11 0.00 -0.57 0.00 0.00 31.44 28.84 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1zrp s PHE 48 N -2.54 3.23 0.81 -0.32 0.40 0.53 -2.08 117.98 118.01 1zrp s PHE 48 Ca 0.45 -0.24 -0.13 0.00 -0.60 0.00 0.00 56.93 56.42 1zrp s PHE 48 Cb 0.36 -2.47 0.18 0.00 0.51 0.00 0.00 43.02 41.60 1zrp s PHE 48 CO 0.11 -0.37 1.10 -1.91 0.70 0.00 0.00 175.22 174.85 1zrp n GLU 49 N 5.10 -1.00 -4.17 0.44 4.07 0.20 -4.84 120.64 120.45 1zrp n GLU 49 Ca -0.13 -1.79 -0.21 0.00 -0.06 0.00 0.00 57.16 54.98 1zrp n GLU 49 Cb 0.50 -1.10 -0.16 0.00 -0.06 0.00 0.00 31.44 30.61 1zrp n GLU 49 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1zrp s LYS 50 N -5.38 0.94 -0.40 5.31 -2.85 -1.26 -0.66 119.74 115.43 1zrp s LYS 50 Ca 0.63 -0.13 0.10 0.00 -1.00 0.00 0.00 55.97 55.57 1zrp s LYS 50 Cb -0.02 -0.94 0.31 0.00 -2.06 0.00 0.00 37.83 35.12 1zrp s LYS 50 CO 0.44 -0.09 0.67 1.28 0.10 0.00 0.00 175.35 177.75 1zrp n LEU 51 N 4.14 0.97 -4.58 2.77 4.32 -0.92 -4.92 117.00 118.78 1zrp n LEU 51 Ca -0.23 -4.96 -0.42 0.00 -0.02 0.00 0.00 56.01 50.38 1zrp n LEU 51 Cb 0.51 0.54 -0.02 0.00 -1.62 0.00 0.00 43.42 42.83 1zrp n LEU 51 CO 0.22 2.21 1.12 -0.70 -1.22 0.00 0.00 177.39 179.02 1zrp s GLU 52 N -2.06 3.45 0.00 3.23 2.12 -1.24 -4.65 118.70 119.56 1zrp s GLU 52 Ca 0.39 0.26 0.25 0.00 0.36 0.00 0.00 54.97 56.23 1zrp s GLU 52 Cb 0.27 -4.05 0.51 0.00 0.26 0.00 0.00 34.13 31.12 1zrp s GLU 52 CO -0.09 -1.76 1.44 -0.25 -0.54 0.00 0.00 175.26 174.05