#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 1.91 -0.05 0.00 0.00 -1.26 -2.10 119.74 118.24 1zrp s LYS 2 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 55.97 55.56 1zrp s LYS 2 Cb 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 37.83 36.20 1zrp s LYS 2 CO 0.00 -0.02 -0.23 -1.58 0.00 0.00 0.00 175.35 173.52 1zrp s TRP 3 N 0.83 2.48 -0.08 1.78 0.52 0.20 -1.83 118.94 122.84 1zrp s TRP 3 Ca -0.11 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.46 1zrp s TRP 3 Cb -0.15 -1.60 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 1zrp s TRP 3 CO 0.02 -0.13 -0.19 0.54 0.02 0.00 0.00 176.95 177.21 1zrp s VAL 4 N -0.29 2.59 -0.44 4.03 0.11 -0.18 0.58 120.40 126.80 1zrp s VAL 4 Ca 0.00 -0.87 -0.28 0.00 -2.93 0.00 0.00 61.98 57.91 1zrp s VAL 4 Cb -0.13 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 1zrp s VAL 4 CO 0.03 0.56 1.50 0.00 -3.33 0.00 0.00 175.10 173.86 1zrp h LYS 6 N 11.37 0.00 0.08 0.00 3.64 -1.75 -2.03 116.57 127.88 1zrp h LYS 6 Ca -0.28 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1zrp h LYS 6 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1zrp h LYS 6 CO 1.10 0.04 -0.04 0.82 -2.27 0.00 0.00 179.45 179.10 1zrp h ILE 7 N 0.00 0.00 0.08 2.00 5.03 -1.88 -3.43 117.51 119.31 1zrp h ILE 7 Ca -0.00 -0.20 -0.37 0.00 -0.12 0.00 0.00 64.86 64.18 1zrp h ILE 7 Cb 0.12 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.88 1zrp h ILE 7 CO 0.01 0.00 -2.11 0.00 -0.68 0.00 0.00 178.15 175.37 1zrp n GLY 9 N 2.01 1.15 3.86 0.00 0.00 -0.77 -5.11 105.19 106.34 1zrp n GLY 9 Ca -0.34 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 3.28 -0.03 1.61 5.04 -1.25 -4.94 117.35 119.06 1zrp s TYR 10 Ca 0.00 0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.69 1zrp s TYR 10 Cb 0.00 -1.56 -0.01 0.00 0.35 0.00 0.00 41.96 40.74 1zrp s TYR 10 CO 0.00 0.51 -0.16 0.42 -1.34 0.00 0.00 175.55 174.99 1zrp s ILE 11 N -1.80 1.29 -0.23 3.14 -1.09 -1.26 0.58 121.20 121.82 1zrp s ILE 11 Ca 0.33 -0.66 -0.10 0.00 -2.23 0.00 0.00 60.65 57.99 1zrp s ILE 11 Cb -0.10 -1.09 -0.05 0.00 -1.58 0.00 0.00 42.46 39.64 1zrp s ILE 11 CO 0.26 0.37 0.13 -0.47 -1.23 0.00 0.00 174.94 174.00 1zrp s TYR 12 N -0.11 3.26 -0.32 3.97 5.04 0.20 -4.96 117.35 124.42 1zrp s TYR 12 Ca 0.00 0.10 -0.06 0.00 -2.44 0.00 0.00 57.07 54.68 1zrp s TYR 12 Cb -0.09 -2.24 0.03 0.00 0.35 0.00 0.00 41.96 40.01 1zrp s TYR 12 CO 0.01 0.00 0.08 0.34 -1.34 0.00 0.00 175.55 174.64 1zrp s ASP 13 N 1.08 5.17 0.41 4.32 2.15 -1.26 0.58 116.67 129.12 1zrp s ASP 13 Ca 0.06 -1.02 0.15 0.00 0.43 0.00 0.00 52.55 52.18 1zrp s ASP 13 Cb -0.14 -1.85 0.89 0.00 -0.30 0.00 0.00 42.92 41.52 1zrp s ASP 13 CO 0.04 -0.27 1.90 -0.33 -0.17 0.00 0.00 175.17 176.34 1zrp h GLU 14 N 8.19 0.00 0.00 4.34 5.08 -1.71 0.13 114.58 130.61 1zrp h GLU 14 Ca -0.26 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1zrp h GLU 14 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1zrp h GLU 14 CO 0.60 0.29 -0.29 0.22 -1.00 0.00 0.00 179.01 178.82 1zrp h ASP 15 N 0.00 0.00 0.26 1.42 1.82 -1.84 -3.24 116.42 114.84 1zrp h ASP 15 Ca -0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 1zrp h ASP 15 Cb 0.54 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.50 1zrp h ASP 15 CO 0.04 0.29 -1.99 0.00 -1.61 0.00 0.00 179.24 175.97 1zrp n ALA 16 N -2.45 1.73 0.00 -0.78 0.00 -0.33 -4.60 120.51 114.07 1zrp n ALA 16 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1zrp n ALA 16 Cb 0.35 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1zrp n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrp n GLY 17 N 1.58 -1.88 2.22 0.00 0.00 0.30 -4.52 105.19 102.88 1zrp n GLY 17 Ca -0.21 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.78 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 0.28 -0.05 1.61 2.03 -0.86 -4.57 116.55 115.37 1zrp n ASP 18 Ca 0.00 -2.86 0.23 0.00 0.52 0.00 0.00 54.79 52.68 1zrp n ASP 18 Cb 0.00 -0.50 0.70 0.00 -0.72 0.00 0.00 41.12 40.61 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 3.59 0.00 -0.81 -0.67 0.11 -1.85 -0.43 132.00 131.94 1zrp h PRO 19 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1zrp h PRO 19 Cb 0.92 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1zrp h PRO 19 CO 0.46 0.00 0.43 -0.44 -0.21 0.00 0.00 178.00 178.24 1zrp h ASP 20 N 0.00 1.01 -0.17 -2.05 3.32 -1.94 -2.45 116.42 114.14 1zrp h ASP 20 Ca 0.30 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1zrp h ASP 20 Cb 1.23 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1zrp h ASP 20 CO -0.00 0.82 0.00 0.59 -1.72 0.00 0.00 179.24 178.93 1zrp n ASN 21 N -4.34 3.35 -1.71 6.45 3.02 -0.31 -4.97 115.26 116.75 1zrp n ASN 21 Ca 0.08 -3.02 -0.04 0.00 -0.03 0.00 0.00 54.58 51.58 1zrp n ASN 21 Cb 0.11 -0.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.79 0.28 3.15 7.41 0.00 -0.81 -5.06 105.19 109.36 1zrp n GLY 22 Ca 0.19 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.09 2.06 0.26 -0.61 1.09 -0.41 -4.99 121.20 115.52 1zrp s ILE 23 Ca 0.03 -0.96 -0.29 0.00 -1.10 0.00 0.00 60.65 58.32 1zrp s ILE 23 Cb -0.00 -1.84 -0.09 0.00 -1.06 0.00 0.00 42.46 39.47 1zrp s ILE 23 CO 0.19 0.55 1.20 -0.55 -0.10 0.00 0.00 174.94 176.22 1zrp s SER 24 N 0.99 7.06 -0.25 3.58 0.15 -1.26 -2.02 113.70 121.95 1zrp s SER 24 Ca -0.03 2.39 -0.26 0.00 0.70 0.00 0.00 55.95 58.76 1zrp s SER 24 Cb -0.15 -2.63 -0.29 0.00 -1.71 0.00 0.00 66.02 61.25 1zrp s SER 24 CO -0.06 -0.34 1.57 -0.81 1.20 0.00 0.00 173.24 174.80 1zrp n PRO 25 N 1.53 0.02 0.00 5.44 -0.05 -1.26 -1.12 135.00 139.56 1zrp n PRO 25 Ca 0.01 -1.01 0.00 0.00 -0.05 0.00 0.00 63.50 62.45 1zrp n PRO 25 Cb 0.44 -2.61 0.00 0.00 -0.05 0.00 0.00 33.50 31.28 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1zrp n GLY 26 N 5.07 0.21 3.62 0.55 0.00 -1.22 -4.87 105.19 108.55 1zrp n GLY 26 Ca 0.39 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 2.06 0.45 2.61 2.01 -0.28 -4.97 115.64 117.52 1zrp s THR 27 Ca 0.00 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1zrp s THR 27 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1zrp s THR 27 CO 0.00 -0.03 0.11 -0.54 -0.69 0.00 0.00 174.62 173.47 1zrp s LYS 28 N -4.60 2.14 0.02 4.92 1.02 -1.26 -4.70 119.74 117.28 1zrp s LYS 28 Ca 0.67 -2.07 -0.18 0.00 0.02 0.00 0.00 55.97 54.41 1zrp s LYS 28 Cb -0.23 -1.78 -0.10 0.00 -0.52 0.00 0.00 37.83 35.19 1zrp s LYS 28 CO 0.60 -0.20 1.18 0.35 -0.92 0.00 0.00 175.35 176.36 1zrp h PHE 29 N 1.46 -0.60 -0.21 3.18 3.57 -1.96 0.22 116.94 122.60 1zrp h PHE 29 Ca -0.43 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1zrp h PHE 29 Cb 1.27 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1zrp h PHE 29 CO 0.89 -0.37 0.00 -1.91 -2.23 0.00 0.00 178.31 174.69 1zrp n GLU 30 N -3.87 1.77 -0.37 1.11 2.13 -1.26 -0.44 120.64 119.71 1zrp n GLU 30 Ca -0.08 -0.87 0.09 0.00 0.66 0.00 0.00 57.16 56.96 1zrp n GLU 30 Cb 0.26 -1.38 0.24 0.00 0.27 0.00 0.00 31.44 30.82 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1zrp n GLU 31 N 0.17 2.60 -1.93 5.31 4.07 -0.55 -5.01 120.64 125.30 1zrp n GLU 31 Ca 0.08 -2.80 -0.29 0.00 -0.06 0.00 0.00 57.16 54.09 1zrp n GLU 31 Cb 0.32 -1.78 0.12 0.00 -0.06 0.00 0.00 31.44 30.03 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 -2.85 2.58 0.84 4.31 1.43 0.67 -4.36 118.68 121.30 1zrp s LEU 32 Ca 0.40 0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 1zrp s LEU 32 Cb 0.33 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1zrp s LEU 32 CO 0.08 -2.12 0.27 -2.65 0.23 0.00 0.00 176.35 172.16 1zrp n PRO 33 N -3.41 0.01 0.05 1.29 -0.02 -1.26 -4.90 135.00 126.75 1zrp n PRO 33 Ca 0.10 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1zrp n PRO 33 Cb 0.61 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.91 -0.04 -0.78 2.55 3.32 -1.99 -2.38 116.42 116.19 1zrp h ASP 34 Ca -0.44 -0.08 -0.46 0.00 0.02 0.00 0.00 57.03 56.06 1zrp h ASP 34 Cb 1.32 0.01 -0.26 0.00 0.22 0.00 0.00 39.33 40.62 1zrp h ASP 34 CO 0.37 0.06 0.33 0.47 -1.72 0.00 0.00 179.24 178.74 1zrp n ASP 35 N -5.07 4.50 -4.60 6.45 9.92 -1.26 -4.99 116.55 121.51 1zrp n ASP 35 Ca -0.08 -3.73 -0.42 0.00 -0.53 0.00 0.00 54.79 50.03 1zrp n ASP 35 Cb 0.08 -0.76 -0.03 0.00 -0.64 0.00 0.00 41.12 39.78 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 -3.46 1.33 0.49 1.24 -0.00 -0.90 -4.89 118.94 112.75 1zrp s TRP 36 Ca 0.55 0.64 0.04 0.00 -0.00 0.00 0.00 56.10 57.33 1zrp s TRP 36 Cb 0.46 -3.96 -0.02 0.00 -0.00 0.00 0.00 33.47 29.95 1zrp s TRP 36 CO 0.04 -3.64 0.11 0.14 -0.00 0.00 0.00 176.95 173.60 1zrp s VAL 37 N 8.25 1.57 0.01 5.86 -7.23 -1.26 -1.69 120.40 125.92 1zrp s VAL 37 Ca 0.94 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 1zrp s VAL 37 Cb -0.29 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 1zrp s VAL 37 CO 0.34 0.00 1.65 0.00 -0.31 0.00 0.00 175.10 176.78 1zrp h PRO 39 N 8.96 0.00 0.00 0.00 0.11 -1.98 -1.76 132.00 137.33 1zrp h PRO 39 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1zrp h PRO 39 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 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 -3.19 0.00 0.14 4.15 -0.00 -1.26 -4.84 119.36 114.35 1zrp n ILE 40 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.77 1zrp n ILE 40 Cb 0.20 -0.67 0.03 0.00 -0.00 0.00 0.00 39.64 39.20 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 1.22 0.91 3.56 0.00 0.00 -0.67 -5.02 105.19 105.21 1zrp n GLY 42 Ca 0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 3.46 1.01 4.61 0.00 -1.26 -4.65 121.76 122.93 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 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1zrp s ALA 43 CO 0.00 -1.33 -0.30 -2.30 0.00 0.00 0.00 175.76 171.83 1zrp n PRO 44 N 5.96 -0.51 0.07 0.00 -0.02 -1.26 -0.48 135.00 138.75 1zrp n PRO 44 Ca -0.02 -0.13 0.05 0.00 -2.02 0.00 0.00 63.50 61.38 1zrp n PRO 44 Cb 0.49 -1.48 0.25 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.13 0.06 0.28 -0.52 -0.00 -0.68 -2.15 118.16 115.02 1zrp n LYS 45 Ca 0.02 0.53 0.14 0.00 -0.00 0.00 0.00 58.31 59.00 1zrp n LYS 45 Cb 0.60 -1.68 0.84 0.00 -0.00 0.00 0.00 35.03 34.79 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 -1.86 -0.66 113.55 109.89 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1zrp h SER 46 CO 0.00 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.38 1zrp n GLU 47 N -3.82 2.55 -3.03 4.77 -0.58 -0.92 -4.80 120.64 114.81 1zrp n GLU 47 Ca -0.03 -2.70 -0.44 0.00 -0.42 0.00 0.00 57.16 53.57 1zrp n GLU 47 Cb 0.13 -1.71 -0.04 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.68 2.99 0.00 -0.32 0.40 -0.26 -2.23 117.98 115.89 1zrp s PHE 48 Ca 0.38 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 1zrp s PHE 48 Cb 0.30 -4.12 0.00 0.00 0.51 0.00 0.00 43.02 39.71 1zrp s PHE 48 CO 0.08 -1.40 0.00 -1.91 0.70 0.00 0.00 175.22 172.68 1zrp n GLU 49 N 6.56 -0.90 -3.85 0.44 2.13 0.20 -4.71 120.64 120.51 1zrp n GLU 49 Ca -0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1zrp n GLU 49 Cb 0.45 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.99 1zrp n GLU 49 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1zrp s LYS 50 N -2.16 1.17 -1.08 5.31 1.02 -1.26 -1.01 119.74 121.73 1zrp s LYS 50 Ca 0.00 -0.17 -0.05 0.00 0.02 0.00 0.00 55.97 55.78 1zrp s LYS 50 Cb 0.00 -1.45 -0.05 0.00 -0.52 0.00 0.00 37.83 35.81 1zrp s LYS 50 CO 0.00 -0.31 0.94 1.28 -0.92 0.00 0.00 175.35 176.34 1zrp n LEU 51 N 5.01 -5.29 0.00 3.17 4.77 -0.76 -4.36 117.00 119.54 1zrp n LEU 51 Ca -0.10 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1zrp n LEU 51 Cb 0.50 -3.20 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 1zrp n LEU 51 CO 0.14 0.16 0.00 -0.62 -1.33 0.00 0.00 177.39 175.75 1zrp n GLU 52 N -3.43 0.00 0.00 3.23 4.71 -1.26 -5.08 120.64 118.80 1zrp n GLU 52 Ca -0.12 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.16 1zrp n GLU 52 Cb 0.63 0.00 0.39 0.00 -1.01 0.00 0.00 31.44 31.46 1zrp n GLU 52 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97