#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 2.46 0.12 0.00 -2.85 -1.26 -2.14 119.74 116.08 1zrp s LYS 2 Ca 0.00 -0.74 0.04 0.00 -1.00 0.00 0.00 55.97 54.27 1zrp s LYS 2 Cb 0.00 -1.96 -0.04 0.00 -2.06 0.00 0.00 37.83 33.77 1zrp s LYS 2 CO 0.00 0.19 0.12 -1.58 0.10 0.00 0.00 175.35 174.19 1zrp s TRP 3 N 0.27 3.21 0.22 1.78 0.52 0.19 -2.02 118.94 123.11 1zrp s TRP 3 Ca -0.13 0.05 0.11 0.00 0.02 0.00 0.00 56.10 56.15 1zrp s TRP 3 Cb -0.16 -1.58 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 1zrp s TRP 3 CO 0.06 0.52 -0.20 0.54 0.02 0.00 0.00 176.95 177.89 1zrp s VAL 4 N -1.57 2.22 -0.39 4.03 0.11 0.19 0.58 120.40 125.57 1zrp s VAL 4 Ca 0.31 -2.17 -0.27 0.00 -2.93 0.00 0.00 61.98 56.91 1zrp s VAL 4 Cb -0.11 -2.13 0.02 0.00 -1.53 0.00 0.00 36.38 32.63 1zrp s VAL 4 CO 0.23 -0.32 0.98 0.00 -3.33 0.00 0.00 175.10 172.66 1zrp h LYS 6 N 8.59 0.00 0.00 0.00 3.64 -1.74 -1.82 116.57 125.24 1zrp h LYS 6 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1zrp h LYS 6 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1zrp h LYS 6 CO 1.01 0.05 0.00 -0.89 -2.27 0.00 0.00 179.45 177.35 1zrp n ILE 7 N -3.59 0.00 0.01 2.00 -0.00 -1.26 -4.69 119.36 111.82 1zrp n ILE 7 Ca -0.02 0.43 -0.12 0.00 -0.00 0.00 0.00 62.75 63.03 1zrp n ILE 7 Cb 0.15 -1.28 -0.14 0.00 -0.00 0.00 0.00 39.64 38.38 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 1.63 1.27 3.86 0.00 0.00 -0.69 -5.09 105.19 106.18 1zrp n GLY 9 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 2.90 0.01 1.61 5.04 -1.26 -4.84 117.35 118.81 1zrp s TYR 10 Ca 0.00 0.87 -0.01 0.00 -2.44 0.00 0.00 57.07 55.50 1zrp s TYR 10 Cb 0.00 -3.36 -0.01 0.00 0.35 0.00 0.00 41.96 38.94 1zrp s TYR 10 CO 0.00 -1.81 -0.00 0.42 -1.34 0.00 0.00 175.55 172.82 1zrp s ILE 11 N -3.42 0.06 -0.26 3.14 1.09 -1.26 0.56 121.20 121.11 1zrp s ILE 11 Ca 0.62 -0.51 0.03 0.00 -1.10 0.00 0.00 60.65 59.68 1zrp s ILE 11 Cb -0.12 -0.17 0.06 0.00 -1.06 0.00 0.00 42.46 41.17 1zrp s ILE 11 CO 0.51 -0.28 -0.10 -0.47 -0.10 0.00 0.00 174.94 174.50 1zrp s TYR 12 N -0.83 3.28 -0.27 3.97 5.04 0.20 -4.95 117.35 123.78 1zrp s TYR 12 Ca -0.09 -2.34 -0.12 0.00 -2.44 0.00 0.00 57.07 52.08 1zrp s TYR 12 Cb -0.06 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.24 1zrp s TYR 12 CO -0.00 -0.88 0.24 0.34 -1.34 0.00 0.00 175.55 173.90 1zrp s ASP 13 N 1.10 6.09 0.56 4.32 -1.08 -1.26 0.57 116.67 126.97 1zrp s ASP 13 Ca -0.08 0.08 0.38 0.00 -0.52 0.00 0.00 52.55 52.40 1zrp s ASP 13 Cb -0.20 -2.14 2.02 0.00 -1.46 0.00 0.00 42.92 41.13 1zrp s ASP 13 CO -0.05 -0.08 2.16 -0.33 0.52 0.00 0.00 175.17 177.39 1zrp h GLU 14 N 8.27 0.00 0.02 4.34 5.08 -1.72 0.28 114.58 130.84 1zrp h GLU 14 Ca -0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1zrp h GLU 14 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1zrp h GLU 14 CO 0.58 0.00 -0.01 0.22 -1.00 0.00 0.00 179.01 178.80 1zrp h ASP 15 N 0.00 -0.02 -0.37 1.42 1.82 -1.90 0.67 116.42 118.03 1zrp h ASP 15 Ca 0.00 -0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.48 1zrp h ASP 15 Cb 0.05 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1zrp h ASP 15 CO 0.00 0.04 -0.19 0.00 -1.61 0.00 0.00 179.24 177.47 1zrp h ALA 16 N 0.90 0.53 0.00 -0.78 0.00 -0.82 -3.37 119.26 115.72 1zrp h ALA 16 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1zrp h ALA 16 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1zrp h ALA 16 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1zrp n GLY 17 N -0.04 -1.73 2.54 0.00 0.00 -1.05 -4.14 105.19 100.77 1zrp n GLY 17 Ca -0.02 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 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 0.18 -1.36 0.21 1.61 2.03 -0.79 -4.80 116.55 113.63 1zrp n ASP 18 Ca 0.00 -3.39 0.17 0.00 0.52 0.00 0.00 54.79 52.09 1zrp n ASP 18 Cb 0.00 1.02 0.69 0.00 -0.72 0.00 0.00 41.12 42.11 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 3.21 0.00 0.00 -0.67 0.13 -1.46 0.22 132.00 133.43 1zrp h PRO 19 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1zrp h PRO 19 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1zrp h PRO 19 CO 0.28 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.61 1zrp h ASP 20 N 0.00 0.00 0.00 1.44 5.19 -1.93 -2.53 116.42 118.59 1zrp h ASP 20 Ca 0.11 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1zrp h ASP 20 Cb 1.11 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.58 1zrp h ASP 20 CO -0.00 0.00 -0.43 0.59 -3.12 0.00 0.00 179.24 176.28 1zrp n ASN 21 N -3.02 0.06 -0.68 6.45 3.02 0.62 -5.01 115.26 116.69 1zrp n ASN 21 Ca -0.02 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1zrp n ASN 21 Cb 0.10 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.04 0.70 3.29 7.41 0.00 -0.83 -5.05 105.19 110.74 1zrp n GLY 22 Ca -0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.85 2.01 0.15 -0.61 1.09 -0.33 -4.92 121.20 115.74 1zrp s ILE 23 Ca 0.00 -1.07 -0.06 0.00 -1.10 0.00 0.00 60.65 58.42 1zrp s ILE 23 Cb 0.00 -1.68 -0.06 0.00 -1.06 0.00 0.00 42.46 39.66 1zrp s ILE 23 CO 0.00 0.57 0.41 -0.44 -0.10 0.00 0.00 174.94 175.37 1zrp s SER 24 N -0.43 6.52 -0.83 3.58 0.01 -1.26 -1.21 113.70 120.08 1zrp s SER 24 Ca 0.05 0.65 -0.24 0.00 1.31 0.00 0.00 55.95 57.72 1zrp s SER 24 Cb -0.11 -2.12 -0.17 0.00 0.21 0.00 0.00 66.02 63.83 1zrp s SER 24 CO 0.01 0.04 2.35 -0.81 0.41 0.00 0.00 173.24 175.24 1zrp n PRO 25 N 0.10 0.45 0.00 12.44 -0.04 -1.26 -1.32 135.00 145.38 1zrp n PRO 25 Ca -0.02 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1zrp n PRO 25 Cb 0.52 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 6.59 0.74 3.78 0.55 0.00 0.23 -4.88 105.19 112.20 1zrp n GLY 26 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.83 4.07 0.56 2.61 2.01 -0.43 -5.03 115.64 118.60 1zrp s THR 27 Ca 0.00 1.74 -0.07 0.00 0.31 0.00 0.00 61.69 63.67 1zrp s THR 27 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1zrp s THR 27 CO 0.00 0.16 0.89 -0.54 -0.69 0.00 0.00 174.62 174.44 1zrp s LYS 28 N -2.02 3.26 0.02 4.92 -0.14 -1.26 -4.75 119.74 119.76 1zrp s LYS 28 Ca 0.50 0.22 -0.14 0.00 -1.36 0.00 0.00 55.97 55.20 1zrp s LYS 28 Cb -0.21 -2.26 -0.08 0.00 -1.68 0.00 0.00 37.83 33.60 1zrp s LYS 28 CO 0.26 -0.51 1.12 0.35 -0.76 0.00 0.00 175.35 175.80 1zrp h PHE 29 N -0.08 -0.46 0.00 3.18 3.57 -1.97 0.25 116.94 121.44 1zrp h PHE 29 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1zrp h PHE 29 Cb 1.23 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1zrp h PHE 29 CO 0.55 -0.29 0.00 -0.85 -2.23 0.00 0.00 178.31 175.49 1zrp n GLU 30 N -3.43 0.96 0.01 1.11 0.00 -1.26 0.25 120.64 118.28 1zrp n GLU 30 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.21 1zrp n GLU 30 Cb 0.20 -1.08 -0.01 0.00 0.00 0.00 0.00 31.44 30.55 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 -0.58 0.22 -0.49 3.44 0.00 -0.22 -4.92 120.64 118.09 1zrp n GLU 31 Ca 0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 57.16 56.89 1zrp n GLU 31 Cb 0.02 -1.55 0.27 0.00 0.00 0.00 0.00 31.44 30.17 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 -3.65 0.31 0.98 4.31 1.43 0.14 -4.83 118.68 117.36 1zrp s LEU 32 Ca 0.04 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1zrp s LEU 32 Cb 0.15 -3.14 0.14 0.00 0.03 0.00 0.00 46.19 43.37 1zrp s LEU 32 CO 0.82 -4.54 0.85 -2.65 0.23 0.00 0.00 176.35 171.06 1zrp n PRO 33 N -5.13 -0.78 0.05 1.29 -0.01 -1.26 -4.91 135.00 124.25 1zrp n PRO 33 Ca 0.04 -0.18 -0.13 0.00 -0.01 0.00 0.00 63.50 63.23 1zrp n PRO 33 Cb 0.55 -2.16 -0.08 0.00 -0.01 0.00 0.00 33.50 31.81 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 1zrp h ASP 34 N -1.94 -0.06 -0.82 2.55 3.32 -1.96 -2.40 116.42 115.11 1zrp h ASP 34 Ca -0.46 -0.09 -0.56 0.00 0.02 0.00 0.00 57.03 55.94 1zrp h ASP 34 Cb 1.29 0.01 -0.32 0.00 0.22 0.00 0.00 39.33 40.53 1zrp h ASP 34 CO 0.40 0.05 0.11 -0.67 -1.72 0.00 0.00 179.24 177.41 1zrp n ASP 35 N -5.08 5.75 -4.62 6.45 2.03 -1.26 -5.00 116.55 114.83 1zrp n ASP 35 Ca -0.08 -3.77 -0.43 0.00 0.52 0.00 0.00 54.79 51.04 1zrp n ASP 35 Cb 0.09 -0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.77 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 -3.64 1.26 0.54 -0.67 -0.00 -0.91 -4.88 118.94 110.65 1zrp s TRP 36 Ca 0.57 0.29 0.02 0.00 -0.00 0.00 0.00 56.10 56.98 1zrp s TRP 36 Cb 0.46 -4.02 0.01 0.00 -0.00 0.00 0.00 33.47 29.92 1zrp s TRP 36 CO 0.02 -4.35 0.16 0.14 -0.00 0.00 0.00 176.95 172.91 1zrp s VAL 37 N 7.16 1.24 0.03 5.86 -7.23 -1.26 -1.69 120.40 124.51 1zrp s VAL 37 Ca 0.95 -1.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.01 1zrp s VAL 37 Cb -0.34 -2.05 -0.07 0.00 0.56 0.00 0.00 36.38 34.47 1zrp s VAL 37 CO 0.36 0.00 1.58 0.00 -0.31 0.00 0.00 175.10 176.74 1zrp n PRO 39 N 5.84 0.00 0.00 0.00 -0.04 -1.26 -1.67 135.00 137.87 1zrp n PRO 39 Ca 0.15 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1zrp n PRO 39 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1zrp n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1zrp n ILE 40 N -1.51 0.00 0.17 0.52 -0.00 -1.26 -4.85 119.36 112.44 1zrp n ILE 40 Ca 0.00 0.04 0.09 0.00 -0.00 0.00 0.00 62.75 62.88 1zrp n ILE 40 Cb 0.00 -0.87 0.09 0.00 -0.00 0.00 0.00 39.64 38.86 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 1.16 0.59 3.55 0.00 0.00 -0.67 -5.00 105.19 104.83 1zrp n GLY 42 Ca 0.02 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 3.34 1.02 4.61 0.00 -1.26 -4.61 121.76 122.87 1zrp s ALA 43 Ca 0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 1zrp s ALA 43 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1zrp s ALA 43 CO 0.00 -1.75 -0.23 -2.30 0.00 0.00 0.00 175.76 171.48 1zrp n PRO 44 N 6.54 -0.63 0.07 0.00 -0.02 -1.26 -1.26 135.00 138.44 1zrp n PRO 44 Ca 0.02 -0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.39 1zrp n PRO 44 Cb 0.48 -1.53 0.28 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 -0.47 0.07 0.27 -0.52 -0.00 -0.68 -1.89 118.16 114.94 1zrp n LYS 45 Ca 0.02 0.54 0.12 0.00 -0.00 0.00 0.00 58.31 58.99 1zrp n LYS 45 Cb 0.60 -1.71 0.77 0.00 -0.00 0.00 0.00 35.03 34.69 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 -0.20 -5.58 4.64 -1.87 -0.60 113.55 109.94 1zrp h SER 46 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1zrp h SER 46 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1zrp h SER 46 CO 0.00 0.05 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.38 1zrp n GLU 47 N -3.98 2.41 -3.10 4.77 1.02 -0.79 -4.85 120.64 116.12 1zrp n GLU 47 Ca -0.03 -2.81 -0.44 0.00 -0.02 0.00 0.00 57.16 53.86 1zrp n GLU 47 Cb 0.14 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.76 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 -2.88 2.98 -0.11 -0.32 0.40 -0.23 -2.18 117.98 115.63 1zrp s PHE 48 Ca 0.40 -0.84 -0.28 0.00 -0.60 0.00 0.00 56.93 55.61 1zrp s PHE 48 Cb 0.33 -3.95 -0.02 0.00 0.51 0.00 0.00 43.02 39.90 1zrp s PHE 48 CO 0.06 -1.28 0.93 -1.21 0.70 0.00 0.00 175.22 174.43 1zrp s GLU 49 N 2.80 4.40 0.88 0.44 0.41 0.20 -4.78 118.70 123.05 1zrp s GLU 49 Ca 0.13 1.25 -0.12 0.00 -0.41 0.00 0.00 54.97 55.82 1zrp s GLU 49 Cb -0.23 -3.54 0.12 0.00 -1.78 0.00 0.00 34.13 28.71 1zrp s GLU 49 CO 0.08 -0.27 1.12 -1.59 -0.49 0.00 0.00 175.26 174.10 1zrp s LYS 50 N 1.88 1.37 0.00 1.61 -2.85 -1.26 0.57 119.74 121.06 1zrp s LYS 50 Ca 0.45 0.46 0.25 0.00 -1.00 0.00 0.00 55.97 56.13 1zrp s LYS 50 Cb -0.18 -1.85 1.16 0.00 -2.06 0.00 0.00 37.83 34.90 1zrp s LYS 50 CO 0.17 -2.07 1.81 1.47 0.10 0.00 0.00 175.35 176.83 1zrp n LEU 51 N -3.71 0.00 -0.53 2.77 -0.00 -0.86 -3.19 117.00 111.48 1zrp n LEU 51 Ca 0.07 0.39 0.07 0.00 -0.00 0.00 0.00 56.01 56.53 1zrp n LEU 51 Cb 0.58 -0.39 0.19 0.00 -0.00 0.00 0.00 43.42 43.80 1zrp n LEU 51 CO 0.57 -0.06 0.39 1.21 -0.00 0.00 0.00 177.39 179.49 1zrp n GLU 52 N -1.39 1.50 -0.53 1.47 4.07 -1.26 -5.11 120.64 119.39 1zrp n GLU 52 Ca 0.09 -3.16 0.00 0.00 -0.06 0.00 0.00 57.16 54.03 1zrp n GLU 52 Cb 0.24 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 1zrp n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60