#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 1.31 -0.24 0.00 1.02 -1.26 -2.03 119.74 118.54 1zrp s LYS 2 Ca 0.00 -0.62 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 1zrp s LYS 2 Cb 0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1zrp s LYS 2 CO 0.00 -0.52 0.08 -1.58 -0.92 0.00 0.00 175.35 172.41 1zrp s TRP 3 N 1.62 3.13 -0.15 3.18 0.52 0.18 -1.25 118.94 126.17 1zrp s TRP 3 Ca -0.01 -0.25 -0.06 0.00 0.02 0.00 0.00 56.10 55.80 1zrp s TRP 3 Cb -0.17 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.90 1zrp s TRP 3 CO -0.07 -0.23 0.05 0.54 0.02 0.00 0.00 176.95 177.26 1zrp s VAL 4 N 1.37 4.67 -0.42 4.03 0.11 0.17 0.60 120.40 130.93 1zrp s VAL 4 Ca 0.05 -0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.74 1zrp s VAL 4 Cb -0.15 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 1zrp s VAL 4 CO 0.04 0.52 1.82 0.00 -3.33 0.00 0.00 175.10 174.15 1zrp h LYS 6 N 13.63 0.00 0.00 0.00 3.64 -1.71 -2.02 116.57 130.10 1zrp h LYS 6 Ca -0.31 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1zrp h LYS 6 Cb 1.17 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1zrp h LYS 6 CO 1.09 0.00 -0.05 0.82 -2.27 0.00 0.00 179.45 179.04 1zrp h ILE 7 N 0.00 0.32 0.02 2.00 5.03 -1.87 -3.42 117.51 119.59 1zrp h ILE 7 Ca -0.00 -1.25 -0.38 0.00 -0.12 0.00 0.00 64.86 63.11 1zrp h ILE 7 Cb 0.08 0.61 -0.06 0.00 -3.03 0.00 0.00 36.82 34.42 1zrp h ILE 7 CO 0.00 0.11 -2.39 0.00 -0.68 0.00 0.00 178.15 175.19 1zrp n GLY 9 N 2.17 1.55 3.88 0.00 0.00 -0.77 -5.11 105.19 106.92 1zrp n GLY 9 Ca -0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 3.58 0.45 1.61 5.04 -1.25 -4.89 117.35 119.88 1zrp s TYR 10 Ca 0.00 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.74 1zrp s TYR 10 Cb 0.00 -2.53 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 1zrp s TYR 10 CO 0.00 -0.46 0.11 0.42 -1.34 0.00 0.00 175.55 174.28 1zrp s ILE 11 N -2.91 0.67 -0.29 3.14 -1.09 -1.26 0.58 121.20 120.04 1zrp s ILE 11 Ca 0.52 -2.00 -0.01 0.00 -2.23 0.00 0.00 60.65 56.93 1zrp s ILE 11 Cb -0.11 -2.24 0.18 0.00 -1.58 0.00 0.00 42.46 38.71 1zrp s ILE 11 CO 0.47 0.00 0.55 -0.47 -1.23 0.00 0.00 174.94 174.26 1zrp s TYR 12 N -3.11 -1.45 -0.39 3.97 5.04 0.20 -4.88 117.35 116.73 1zrp s TYR 12 Ca 0.17 1.45 -0.17 0.00 -2.44 0.00 0.00 57.07 56.08 1zrp s TYR 12 Cb 0.01 0.42 0.01 0.00 0.35 0.00 0.00 41.96 42.75 1zrp s TYR 12 CO 0.11 -0.87 0.42 0.34 -1.34 0.00 0.00 175.55 174.22 1zrp s ASP 13 N 2.78 6.20 0.52 4.32 -1.08 -1.26 0.51 116.67 128.67 1zrp s ASP 13 Ca 0.18 -0.44 0.35 0.00 -0.52 0.00 0.00 52.55 52.12 1zrp s ASP 13 Cb -0.15 -2.22 1.83 0.00 -1.46 0.00 0.00 42.92 40.93 1zrp s ASP 13 CO -0.21 -0.49 2.07 -0.33 0.52 0.00 0.00 175.17 176.74 1zrp h GLU 14 N 8.61 0.00 0.00 4.34 5.08 -1.65 0.89 114.58 131.84 1zrp h GLU 14 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1zrp h GLU 14 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1zrp h GLU 14 CO 0.76 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.30 1zrp n ASP 15 N -2.78 0.00 0.21 1.42 2.03 -1.26 0.18 116.55 116.34 1zrp n ASP 15 Ca -0.02 0.61 0.14 0.00 0.52 0.00 0.00 54.79 56.04 1zrp n ASP 15 Cb 0.10 -0.13 0.74 0.00 -0.72 0.00 0.00 41.12 41.11 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zrp h ALA 16 N -2.00 1.00 -0.81 -1.67 0.00 -0.19 -2.87 119.26 112.72 1zrp h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrp h ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1zrp h ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1zrp n GLY 17 N -1.18 1.61 2.69 0.00 0.00 0.25 -4.49 105.19 104.07 1zrp n GLY 17 Ca -0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.37 -1.74 0.18 1.61 2.03 -0.83 -4.58 116.55 112.84 1zrp n ASP 18 Ca 0.00 -2.39 0.07 0.00 0.52 0.00 0.00 54.79 52.99 1zrp n ASP 18 Cb 0.00 1.14 0.37 0.00 -0.72 0.00 0.00 41.12 41.92 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1zrp h PRO 19 N 1.93 0.00 -0.79 -0.67 0.11 -0.74 0.26 132.00 132.11 1zrp h PRO 19 Ca -0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1zrp h PRO 19 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1zrp h PRO 19 CO -0.08 0.00 0.46 -0.44 -0.21 0.00 0.00 178.00 177.74 1zrp h ASP 20 N 0.00 0.96 -0.18 -2.05 5.19 -1.94 -2.44 116.42 115.97 1zrp h ASP 20 Ca 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1zrp h ASP 20 Cb 0.64 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1zrp h ASP 20 CO 0.00 0.75 0.00 0.59 -3.12 0.00 0.00 179.24 177.46 1zrp n ASN 21 N -4.37 3.10 -0.20 6.45 3.02 0.73 -4.92 115.26 119.07 1zrp n ASN 21 Ca 0.08 -2.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.88 1zrp n ASN 21 Cb 0.08 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.58 0.74 3.50 7.41 0.00 -0.92 -5.04 105.19 110.30 1zrp n GLY 22 Ca 0.16 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.40 4.51 0.40 -0.61 1.09 -0.05 -4.90 121.20 119.24 1zrp s ILE 23 Ca 0.00 -0.11 -0.23 0.00 -1.10 0.00 0.00 60.65 59.21 1zrp s ILE 23 Cb 0.00 -3.09 -0.09 0.00 -1.06 0.00 0.00 42.46 38.21 1zrp s ILE 23 CO 0.00 0.36 1.01 -0.44 -0.10 0.00 0.00 174.94 175.77 1zrp s SER 24 N 1.34 6.84 -0.85 3.58 0.01 -1.26 -0.07 113.70 123.28 1zrp s SER 24 Ca 0.05 1.92 -0.20 0.00 1.31 0.00 0.00 55.95 59.02 1zrp s SER 24 Cb -0.15 -2.57 -0.21 0.00 0.21 0.00 0.00 66.02 63.31 1zrp s SER 24 CO 0.04 -0.43 2.33 -2.65 0.41 0.00 0.00 173.24 172.94 1zrp n PRO 25 N -0.20 0.38 0.00 12.44 -0.02 -1.26 -1.51 135.00 144.83 1zrp n PRO 25 Ca 0.05 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1zrp n PRO 25 Cb 0.51 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 6.35 0.97 3.77 -1.23 0.00 0.13 -4.89 105.19 110.29 1zrp n GLY 26 Ca 0.54 0.00 -0.39 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 -1.04 3.31 0.48 2.61 2.01 -0.57 -4.91 115.64 117.55 1zrp s THR 27 Ca 0.00 1.16 -0.05 0.00 0.31 0.00 0.00 61.69 63.11 1zrp s THR 27 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1zrp s THR 27 CO 0.00 0.15 0.78 -0.54 -0.69 0.00 0.00 174.62 174.33 1zrp s LYS 28 N -2.06 3.47 0.02 4.92 1.02 -1.26 -4.56 119.74 121.29 1zrp s LYS 28 Ca 0.53 0.14 -0.19 0.00 0.02 0.00 0.00 55.97 56.47 1zrp s LYS 28 Cb -0.30 -2.38 -0.10 0.00 -0.52 0.00 0.00 37.83 34.52 1zrp s LYS 28 CO 0.38 -0.24 1.19 0.35 -0.92 0.00 0.00 175.35 176.11 1zrp h PHE 29 N 0.22 -0.62 0.00 3.18 3.57 -1.96 0.87 116.94 122.20 1zrp h PHE 29 Ca -0.47 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1zrp h PHE 29 Cb 1.21 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1zrp h PHE 29 CO 0.57 -0.39 0.00 -1.91 -2.23 0.00 0.00 178.31 174.35 1zrp n GLU 30 N -3.95 0.94 -0.44 1.11 0.00 -1.26 0.59 120.64 117.63 1zrp n GLU 30 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.16 1zrp n GLU 30 Cb 0.27 -1.10 0.26 0.00 0.00 0.00 0.00 31.44 30.87 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1zrp n GLU 31 N -0.60 2.93 -1.88 5.31 4.07 -0.30 -4.98 120.64 125.19 1zrp n GLU 31 Ca 0.04 -2.83 -0.29 0.00 -0.06 0.00 0.00 57.16 54.02 1zrp n GLU 31 Cb 0.02 -1.83 0.08 0.00 -0.06 0.00 0.00 31.44 29.65 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 -2.78 2.59 0.53 4.31 1.43 0.20 -4.57 118.68 120.39 1zrp s LEU 32 Ca 0.42 0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 54.20 1zrp s LEU 32 Cb 0.34 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.03 1zrp s LEU 32 CO 0.09 -1.78 0.80 -0.81 0.23 0.00 0.00 176.35 174.89 1zrp n PRO 33 N -3.25 0.86 -0.18 1.29 -0.04 -1.26 -4.90 135.00 127.52 1zrp n PRO 33 Ca 0.08 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1zrp n PRO 33 Cb 0.60 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.71 0.64 -0.93 3.54 3.32 -1.98 -2.23 116.42 119.48 1zrp h ASP 34 Ca -0.46 -0.06 -0.47 0.00 0.02 0.00 0.00 57.03 56.06 1zrp h ASP 34 Cb 1.37 -0.16 -0.28 0.00 0.22 0.00 0.00 39.33 40.48 1zrp h ASP 34 CO 0.51 0.51 0.58 -0.67 -1.72 0.00 0.00 179.24 178.45 1zrp n ASP 35 N -4.67 3.74 -4.58 6.45 2.03 -1.26 -4.89 116.55 113.37 1zrp n ASP 35 Ca 0.03 -3.59 -0.41 0.00 0.52 0.00 0.00 54.79 51.33 1zrp n ASP 35 Cb 0.06 -0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 39.61 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1zrp s TRP 36 N -3.27 1.34 0.42 -0.67 -0.00 -0.84 -4.96 118.94 110.96 1zrp s TRP 36 Ca 0.56 0.85 0.07 0.00 -0.00 0.00 0.00 56.10 57.58 1zrp s TRP 36 Cb 0.47 -3.90 -0.04 0.00 -0.00 0.00 0.00 33.47 30.00 1zrp s TRP 36 CO 0.10 -3.24 0.26 0.14 -0.00 0.00 0.00 176.95 174.21 1zrp s VAL 37 N 9.06 2.41 0.01 5.86 -7.23 -1.26 -1.60 120.40 127.63 1zrp s VAL 37 Ca 0.91 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1zrp s VAL 37 Cb -0.24 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 33.64 1zrp s VAL 37 CO 0.31 0.00 1.89 0.00 -0.31 0.00 0.00 175.10 176.99 1zrp h PRO 39 N 10.43 0.00 0.00 0.00 0.13 -1.97 -1.80 132.00 138.78 1zrp h PRO 39 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1zrp h PRO 39 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1zrp h PRO 39 CO 0.95 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.83 1zrp n ILE 40 N -3.10 0.00 0.09 -3.56 -0.00 -1.26 -4.83 119.36 106.69 1zrp n ILE 40 Ca -0.03 0.08 0.01 0.00 -0.00 0.00 0.00 62.75 62.81 1zrp n ILE 40 Cb 0.14 -0.73 -0.03 0.00 -0.00 0.00 0.00 39.64 39.01 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 1.30 1.24 3.57 0.00 0.00 -0.68 -5.04 105.19 105.58 1zrp n GLY 42 Ca -0.03 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 3.45 1.01 4.61 0.00 -1.26 -4.69 121.76 122.88 1zrp s ALA 43 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 1zrp s ALA 43 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 1zrp s ALA 43 CO 0.00 -1.37 -0.45 -2.30 0.00 0.00 0.00 175.76 171.64 1zrp n PRO 44 N 6.06 -0.37 0.06 0.00 -0.02 -1.26 0.58 135.00 140.05 1zrp n PRO 44 Ca -0.01 -0.09 0.04 0.00 -2.02 0.00 0.00 63.50 61.42 1zrp n PRO 44 Cb 0.49 -1.38 0.22 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.45 0.05 0.27 -0.52 0.00 -0.63 -1.10 118.16 116.68 1zrp n LYS 45 Ca 0.01 0.53 0.18 0.00 -0.00 0.00 0.00 58.31 59.03 1zrp n LYS 45 Cb 0.60 -1.66 0.89 0.00 -0.00 0.00 0.00 35.03 34.86 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1zrp h SER 46 N 0.00 0.00 -0.44 -5.58 4.64 -1.87 -1.78 113.55 108.53 1zrp h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1zrp h SER 46 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1zrp h SER 46 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1zrp n GLU 47 N -2.84 3.43 -3.58 4.77 -0.58 -0.26 -4.82 120.64 116.77 1zrp n GLU 47 Ca -0.01 -2.74 -0.41 0.00 -0.42 0.00 0.00 57.16 53.58 1zrp n GLU 47 Cb 0.14 -1.80 -0.09 0.00 -0.57 0.00 0.00 31.44 29.12 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 -2.15 3.34 0.27 -0.32 0.40 -0.67 -2.14 117.98 116.70 1zrp s PHE 48 Ca 0.43 -1.52 -0.21 0.00 -0.60 0.00 0.00 56.93 55.03 1zrp s PHE 48 Cb 0.30 -3.05 -0.09 0.00 0.51 0.00 0.00 43.02 40.69 1zrp s PHE 48 CO 0.16 -0.86 0.80 -2.00 0.70 0.00 0.00 175.22 174.02 1zrp s GLU 49 N 1.44 4.34 -0.57 0.44 -6.30 0.20 -4.74 118.70 113.50 1zrp s GLU 49 Ca 0.03 1.01 -0.23 0.00 -2.50 0.00 0.00 54.97 53.28 1zrp s GLU 49 Cb -0.24 -2.80 0.05 0.00 0.00 0.00 0.00 34.13 31.15 1zrp s GLU 49 CO 0.02 0.33 0.91 0.21 0.02 0.00 0.00 175.26 176.75 1zrp s LYS 50 N -2.11 3.26 -1.74 4.30 2.36 -1.26 0.44 119.74 124.98 1zrp s LYS 50 Ca 0.47 -0.46 -0.01 0.00 -2.55 0.00 0.00 55.97 53.41 1zrp s LYS 50 Cb -0.17 -4.10 0.00 0.00 -1.05 0.00 0.00 37.83 32.52 1zrp s LYS 50 CO 0.21 -1.53 0.15 -0.11 1.55 0.00 0.00 175.35 175.62 1zrp n LEU 51 N 7.38 -2.15 -3.92 5.43 7.94 -0.38 -4.93 117.00 126.38 1zrp n LEU 51 Ca -0.00 -0.09 -0.01 0.00 -1.11 0.00 0.00 56.01 54.80 1zrp n LEU 51 Cb 0.47 -2.96 0.02 0.00 0.53 0.00 0.00 43.42 41.47 1zrp n LEU 51 CO 0.63 -0.11 0.92 -0.70 -1.11 0.00 0.00 177.39 177.02 1zrp s GLU 52 N -5.21 0.97 0.00 1.96 2.12 -1.26 -5.09 118.70 112.19 1zrp s GLU 52 Ca 0.08 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1zrp s GLU 52 Cb -0.03 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1zrp s GLU 52 CO 0.09 -0.45 0.06 -0.40 -0.54 0.00 0.00 175.26 174.02