#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 1.77 -0.13 0.00 -2.85 -1.26 -1.67 119.74 115.60 1zrp s LYS 2 Ca 0.00 -0.61 0.01 0.00 -1.00 0.00 0.00 55.97 54.37 1zrp s LYS 2 Cb 0.00 -1.55 -0.00 0.00 -2.06 0.00 0.00 37.83 34.22 1zrp s LYS 2 CO 0.00 0.25 -0.18 -1.58 0.10 0.00 0.00 175.35 173.95 1zrp s TRP 3 N 0.00 2.71 -0.16 1.78 0.52 0.11 0.16 118.94 124.07 1zrp s TRP 3 Ca -0.03 -0.93 -0.06 0.00 0.02 0.00 0.00 56.10 55.10 1zrp s TRP 3 Cb -0.11 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 1zrp s TRP 3 CO 0.02 -0.38 0.06 0.54 0.02 0.00 0.00 176.95 177.21 1zrp s VAL 4 N 0.51 4.80 -0.32 4.03 0.11 0.20 0.58 120.40 130.31 1zrp s VAL 4 Ca -0.12 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.61 1zrp s VAL 4 Cb -0.16 -3.13 -0.01 0.00 -1.53 0.00 0.00 36.38 31.55 1zrp s VAL 4 CO 0.05 0.51 1.60 0.00 -3.33 0.00 0.00 175.10 173.92 1zrp n LYS 6 N 8.02 2.23 0.00 0.00 4.81 -0.92 -1.75 118.16 130.56 1zrp n LYS 6 Ca 0.19 -1.17 0.00 0.00 -0.87 0.00 0.00 58.31 56.46 1zrp n LYS 6 Cb 0.47 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1zrp n LYS 6 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1zrp n ILE 7 N 0.28 0.00 0.07 3.15 5.41 -1.26 -4.85 119.36 122.16 1zrp n ILE 7 Ca 0.10 0.27 -0.20 0.00 1.00 0.00 0.00 62.75 63.93 1zrp n ILE 7 Cb 0.49 -1.12 -0.15 0.00 -0.71 0.00 0.00 39.64 38.15 1zrp n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1zrp n GLY 9 N 1.76 1.51 3.98 0.00 0.00 -0.71 -5.12 105.19 106.61 1zrp n GLY 9 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 2.87 -0.12 1.61 5.04 -1.24 -4.93 117.35 118.57 1zrp s TYR 10 Ca 0.00 -0.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.49 1zrp s TYR 10 Cb 0.00 -2.65 0.06 0.00 0.35 0.00 0.00 41.96 39.72 1zrp s TYR 10 CO 0.00 -0.74 0.26 0.42 -1.34 0.00 0.00 175.55 174.14 1zrp s ILE 11 N -2.66 -0.32 0.19 3.14 1.09 -1.26 0.59 121.20 121.97 1zrp s ILE 11 Ca 0.56 0.26 -0.30 0.00 -1.10 0.00 0.00 60.65 60.07 1zrp s ILE 11 Cb -0.10 -0.42 -0.08 0.00 -1.06 0.00 0.00 42.46 40.80 1zrp s ILE 11 CO 0.37 0.11 1.12 -0.47 -0.10 0.00 0.00 174.94 175.97 1zrp s TYR 12 N 2.16 3.55 -0.26 3.97 5.04 0.20 -4.92 117.35 127.08 1zrp s TYR 12 Ca -0.01 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 1zrp s TYR 12 Cb -0.12 -3.31 0.06 0.00 0.35 0.00 0.00 41.96 38.95 1zrp s TYR 12 CO -0.08 -0.73 -0.08 0.34 -1.34 0.00 0.00 175.55 173.65 1zrp s ASP 13 N -0.14 4.34 0.50 4.32 2.15 -1.26 -0.71 116.67 125.87 1zrp s ASP 13 Ca 0.50 -1.42 0.34 0.00 0.43 0.00 0.00 52.55 52.39 1zrp s ASP 13 Cb -0.30 -1.47 1.74 0.00 -0.30 0.00 0.00 42.92 42.59 1zrp s ASP 13 CO 0.36 -0.22 2.02 -0.33 -0.17 0.00 0.00 175.17 176.83 1zrp h GLU 14 N 7.80 0.00 0.00 4.34 5.08 -1.58 0.96 114.58 131.18 1zrp h GLU 14 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1zrp h GLU 14 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1zrp h GLU 14 CO 0.46 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.00 1zrp n ASP 15 N -2.72 0.00 0.20 1.42 -0.08 -1.26 0.22 116.55 114.33 1zrp n ASP 15 Ca -0.02 0.60 0.07 0.00 -1.51 0.00 0.00 54.79 53.93 1zrp n ASP 15 Cb 0.10 -0.12 0.58 0.00 2.34 0.00 0.00 41.12 44.03 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zrp h ALA 16 N -2.00 1.90 0.00 -1.67 0.00 -0.20 -3.13 119.26 114.17 1zrp h ALA 16 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zrp h ALA 16 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1zrp h ALA 16 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1zrp n GLY 17 N -1.46 0.37 2.69 0.00 0.00 0.27 -4.25 105.19 102.80 1zrp n GLY 17 Ca -0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 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 4.71 -1.63 0.23 1.61 2.03 -0.93 -4.29 116.55 118.28 1zrp n ASP 18 Ca 0.00 -2.48 0.14 0.00 0.52 0.00 0.00 54.79 52.96 1zrp n ASP 18 Cb 0.00 1.38 0.74 0.00 -0.72 0.00 0.00 41.12 42.52 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 2.32 0.00 0.00 -0.67 0.11 -1.76 0.13 132.00 132.13 1zrp h PRO 19 Ca -0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 1zrp h PRO 19 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1zrp h PRO 19 CO 0.01 0.00 -0.37 0.22 -0.21 0.00 0.00 178.00 177.66 1zrp h ASP 20 N 0.00 0.00 -0.12 -2.05 3.58 -1.95 -1.82 116.42 114.06 1zrp h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1zrp h ASP 20 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1zrp h ASP 20 CO 0.00 0.37 0.00 0.59 -2.88 0.00 0.00 179.24 177.32 1zrp n ASN 21 N -3.27 2.98 -1.54 2.28 3.02 0.27 -4.98 115.26 114.01 1zrp n ASN 21 Ca 0.02 -2.96 -0.06 0.00 -0.03 0.00 0.00 54.58 51.55 1zrp n ASN 21 Cb 0.62 -0.45 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.94 0.37 3.51 7.41 0.00 -0.53 -5.05 105.19 109.96 1zrp n GLY 22 Ca 0.17 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.10 3.98 0.31 -0.61 1.09 -0.18 -4.92 121.20 117.77 1zrp s ILE 23 Ca 0.08 -0.32 -0.26 0.00 -1.10 0.00 0.00 60.65 59.05 1zrp s ILE 23 Cb -0.04 -2.75 -0.10 0.00 -1.06 0.00 0.00 42.46 38.51 1zrp s ILE 23 CO 0.21 0.49 0.93 -0.55 -0.10 0.00 0.00 174.94 175.92 1zrp s SER 24 N 0.39 7.36 -0.81 3.58 0.15 -1.26 -2.20 113.70 120.90 1zrp s SER 24 Ca -0.03 1.83 -0.23 0.00 0.70 0.00 0.00 55.95 58.22 1zrp s SER 24 Cb -0.14 -2.58 -0.17 0.00 -1.71 0.00 0.00 66.02 61.42 1zrp s SER 24 CO 0.03 -0.04 2.38 -0.81 1.20 0.00 0.00 173.24 176.00 1zrp n PRO 25 N 0.67 0.48 0.00 5.44 -0.04 -1.26 -1.04 135.00 139.25 1zrp n PRO 25 Ca 0.01 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1zrp n PRO 25 Cb 0.50 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zrp n GLY 26 N 6.53 0.85 3.84 0.55 0.00 0.13 -4.93 105.19 112.17 1zrp n GLY 26 Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.93 4.53 0.20 2.61 2.01 -0.21 -4.99 115.64 118.86 1zrp s THR 27 Ca 0.00 1.23 0.04 0.00 0.31 0.00 0.00 61.69 63.27 1zrp s THR 27 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1zrp s THR 27 CO 0.00 -0.63 0.29 -0.75 -0.69 0.00 0.00 174.62 172.84 1zrp s LYS 28 N -3.93 3.32 0.02 4.92 2.47 -1.26 -4.62 119.74 120.65 1zrp s LYS 28 Ca 0.59 -0.75 -0.14 0.00 -1.56 0.00 0.00 55.97 54.10 1zrp s LYS 28 Cb -0.10 -2.85 -0.08 0.00 -1.46 0.00 0.00 37.83 33.34 1zrp s LYS 28 CO 0.29 0.47 1.13 0.35 0.16 0.00 0.00 175.35 177.74 1zrp h PHE 29 N 1.69 -0.48 0.00 4.03 3.57 -1.97 0.80 116.94 124.59 1zrp h PHE 29 Ca -0.50 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1zrp h PHE 29 Cb 1.22 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1zrp h PHE 29 CO 0.51 -0.30 0.00 0.39 -2.23 0.00 0.00 178.31 176.68 1zrp n GLU 30 N -3.50 0.95 -0.38 1.11 -0.58 -1.26 0.52 120.64 117.50 1zrp n GLU 30 Ca -0.06 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.76 1zrp n GLU 30 Cb 0.20 -1.15 0.23 0.00 -0.57 0.00 0.00 31.44 30.16 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1zrp n GLU 31 N -0.65 2.51 -1.89 3.49 0.00 -0.22 -4.99 120.64 118.89 1zrp n GLU 31 Ca 0.07 -2.81 -0.29 0.00 0.00 0.00 0.00 57.16 54.13 1zrp n GLU 31 Cb 0.03 -1.77 0.11 0.00 0.00 0.00 0.00 31.44 29.80 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1zrp s LEU 32 N -2.87 2.51 0.89 4.31 1.43 0.26 -4.43 118.68 120.78 1zrp s LEU 32 Ca 0.40 0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 1zrp s LEU 32 Cb 0.33 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1zrp s LEU 32 CO 0.07 -2.06 0.16 -2.65 0.23 0.00 0.00 176.35 172.11 1zrp n PRO 33 N -3.40 -0.08 0.08 1.29 -0.02 -1.26 -4.90 135.00 126.71 1zrp n PRO 33 Ca 0.09 0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 1zrp n PRO 33 Cb 0.61 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1zrp h ASP 34 N -1.10 -0.12 -0.79 2.55 3.32 -1.99 -2.40 116.42 115.89 1zrp h ASP 34 Ca -0.44 -0.08 -0.47 0.00 0.02 0.00 0.00 57.03 56.06 1zrp h ASP 34 Cb 1.31 0.03 -0.26 0.00 0.22 0.00 0.00 39.33 40.63 1zrp h ASP 34 CO 0.34 -0.00 0.35 0.47 -1.72 0.00 0.00 179.24 178.67 1zrp n ASP 35 N -5.11 4.61 -4.64 6.45 9.92 -1.26 -5.01 116.55 121.51 1zrp n ASP 35 Ca -0.08 -3.73 -0.42 0.00 -0.53 0.00 0.00 54.79 50.02 1zrp n ASP 35 Cb 0.12 -0.77 -0.03 0.00 -0.64 0.00 0.00 41.12 39.80 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1zrp s TRP 36 N -3.47 1.37 0.46 1.24 -0.00 -0.90 -4.88 118.94 112.76 1zrp s TRP 36 Ca 0.55 -0.02 0.05 0.00 -0.00 0.00 0.00 56.10 56.68 1zrp s TRP 36 Cb 0.46 -4.10 -0.04 0.00 -0.00 0.00 0.00 33.47 29.78 1zrp s TRP 36 CO 0.04 -4.75 0.06 0.14 -0.00 0.00 0.00 176.95 172.44 1zrp s VAL 37 N 5.66 1.73 -0.03 5.86 -7.23 -1.26 -1.69 120.40 123.44 1zrp s VAL 37 Ca 0.89 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 1zrp s VAL 37 Cb -0.37 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1zrp s VAL 37 CO 0.38 0.00 1.53 0.00 -0.31 0.00 0.00 175.10 176.69 1zrp h PRO 39 N 8.66 0.00 0.00 0.00 0.11 -1.97 -1.74 132.00 137.06 1zrp h PRO 39 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1zrp h PRO 39 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1zrp h PRO 39 CO 0.94 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.84 1zrp n ILE 40 N -3.36 0.00 0.15 4.15 -0.00 -1.26 -4.83 119.36 114.21 1zrp n ILE 40 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.82 1zrp n ILE 40 Cb 0.36 -0.69 0.06 0.00 -0.00 0.00 0.00 39.64 39.37 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 1.20 1.26 3.62 0.00 0.00 -0.66 -5.02 105.19 105.60 1zrp n GLY 42 Ca 0.01 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 3.56 1.03 4.61 0.00 -1.26 -4.60 121.76 123.10 1zrp s ALA 43 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 1zrp s ALA 43 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 1zrp s ALA 43 CO 0.00 -0.48 -0.30 -2.30 0.00 0.00 0.00 175.76 172.68 1zrp n PRO 44 N 4.91 -0.66 0.06 0.00 -0.02 -1.26 0.59 135.00 138.61 1zrp n PRO 44 Ca -0.11 -0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.24 1zrp n PRO 44 Cb 0.51 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.72 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 -0.37 0.05 0.26 -0.52 2.85 -0.68 -2.24 118.16 117.52 1zrp n LYS 45 Ca 0.01 0.52 0.09 0.00 -1.05 0.00 0.00 58.31 57.88 1zrp n LYS 45 Cb 0.61 -1.66 0.67 0.00 -0.65 0.00 0.00 35.03 34.00 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 0.00 -0.32 -5.58 0.87 -1.87 -0.39 113.55 106.26 1zrp h SER 46 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1zrp h SER 46 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1zrp h SER 46 CO 0.00 0.07 0.00 -0.62 -0.53 0.00 0.00 176.83 175.75 1zrp n GLU 47 N -4.23 3.26 -3.20 2.24 1.02 -0.95 -4.82 120.64 113.96 1zrp n GLU 47 Ca -0.03 -2.88 -0.43 0.00 -0.02 0.00 0.00 57.16 53.80 1zrp n GLU 47 Cb 0.15 -1.90 -0.07 0.00 -0.02 0.00 0.00 31.44 29.59 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1zrp s PHE 48 N -2.76 3.09 -0.16 -0.32 0.40 -0.16 -2.16 117.98 115.91 1zrp s PHE 48 Ca 0.44 -0.41 -0.24 0.00 -0.60 0.00 0.00 56.93 56.12 1zrp s PHE 48 Cb 0.35 -3.32 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 1zrp s PHE 48 CO 0.10 -0.90 0.76 -2.00 0.70 0.00 0.00 175.22 173.88 1zrp s GLU 49 N 2.50 4.30 0.90 0.44 2.56 0.20 -4.76 118.70 124.84 1zrp s GLU 49 Ca 0.15 0.89 -0.12 0.00 0.00 0.00 0.00 54.97 55.90 1zrp s GLU 49 Cb -0.18 -3.56 0.13 0.00 2.00 0.00 0.00 34.13 32.53 1zrp s GLU 49 CO 0.14 -0.24 1.10 -1.59 -0.56 0.00 0.00 175.26 174.10 1zrp s LYS 50 N 1.87 1.26 -1.03 4.30 -2.85 -1.26 0.58 119.74 122.60 1zrp s LYS 50 Ca 0.36 0.71 -0.06 0.00 -1.00 0.00 0.00 55.97 55.98 1zrp s LYS 50 Cb -0.17 -1.82 -0.07 0.00 -2.06 0.00 0.00 37.83 33.72 1zrp s LYS 50 CO 0.13 -2.21 0.91 1.47 0.10 0.00 0.00 175.35 175.74 1zrp n LEU 51 N -3.85 -5.65 0.00 2.77 -0.00 0.12 -4.72 117.00 105.68 1zrp n LEU 51 Ca 0.07 -0.69 0.00 0.00 -0.00 0.00 0.00 56.01 55.39 1zrp n LEU 51 Cb 0.56 -3.20 0.00 0.00 -0.00 0.00 0.00 43.42 40.78 1zrp n LEU 51 CO 0.56 0.07 0.00 -0.62 -0.00 0.00 0.00 177.39 177.40 1zrp n GLU 52 N -3.18 0.00 0.00 1.47 -0.58 -1.20 -5.02 120.64 112.13 1zrp n GLU 52 Ca -0.07 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.72 1zrp n GLU 52 Cb 0.62 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.74 1zrp n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40