#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 1.07 0.20 0.00 2.20 -1.26 -2.08 119.74 119.86 1zrp s LYS 2 Ca 0.00 -0.42 0.07 0.00 -0.36 0.00 0.00 55.97 55.25 1zrp s LYS 2 Cb 0.00 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1zrp s LYS 2 CO 0.00 -0.49 0.10 -1.58 -0.36 0.00 0.00 175.35 173.01 1zrp s TRP 3 N 1.74 3.00 -0.02 4.03 0.52 0.04 -2.23 118.94 126.02 1zrp s TRP 3 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.05 1zrp s TRP 3 Cb -0.16 -1.41 -0.00 0.00 -1.15 0.00 0.00 33.47 30.75 1zrp s TRP 3 CO -0.07 0.53 -0.09 0.54 0.02 0.00 0.00 176.95 177.88 1zrp s VAL 4 N -1.90 0.74 -0.41 4.03 0.11 0.40 0.56 120.40 123.93 1zrp s VAL 4 Ca 0.30 -0.36 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 1zrp s VAL 4 Cb -0.09 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1zrp s VAL 4 CO 0.22 0.22 1.46 0.00 -3.33 0.00 0.00 175.10 173.67 1zrp h LYS 6 N 10.98 0.00 0.14 0.00 2.10 -1.70 -1.69 116.57 126.40 1zrp h LYS 6 Ca -0.28 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 1zrp h LYS 6 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1zrp h LYS 6 CO 1.08 0.08 -0.07 0.82 -2.00 0.00 0.00 179.45 179.37 1zrp h ILE 7 N 0.00 0.00 0.10 0.07 1.08 -1.89 -3.42 117.51 113.45 1zrp h ILE 7 Ca -0.00 -0.17 -0.37 0.00 -0.39 0.00 0.00 64.86 63.93 1zrp h ILE 7 Cb 0.31 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 1zrp h ILE 7 CO 0.01 0.00 -2.09 0.00 -0.69 0.00 0.00 178.15 175.38 1zrp n GLY 9 N 2.04 0.57 3.32 0.00 0.00 -0.64 -5.11 105.19 105.36 1zrp n GLY 9 Ca -0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.90 2.57 -0.10 1.61 5.04 -1.23 -4.96 117.35 119.37 1zrp s TYR 10 Ca 0.00 -0.65 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1zrp s TYR 10 Cb 0.00 -1.66 -0.03 0.00 0.35 0.00 0.00 41.96 40.62 1zrp s TYR 10 CO 0.00 -0.17 -0.04 0.42 -1.34 0.00 0.00 175.55 174.42 1zrp s ILE 11 N -0.10 3.91 -0.41 3.14 1.09 -1.26 0.59 121.20 128.16 1zrp s ILE 11 Ca -0.04 -0.38 -0.12 0.00 -1.10 0.00 0.00 60.65 59.01 1zrp s ILE 11 Cb -0.14 -2.65 0.05 0.00 -1.06 0.00 0.00 42.46 38.66 1zrp s ILE 11 CO 0.04 0.56 0.27 -0.47 -0.10 0.00 0.00 174.94 175.24 1zrp s TYR 12 N -0.42 3.27 -0.46 3.97 5.04 0.19 -4.97 117.35 123.97 1zrp s TYR 12 Ca 0.07 -1.12 -0.20 0.00 -2.44 0.00 0.00 57.07 53.38 1zrp s TYR 12 Cb -0.12 -2.76 0.04 0.00 0.35 0.00 0.00 41.96 39.46 1zrp s TYR 12 CO 0.02 -0.74 0.62 0.34 -1.34 0.00 0.00 175.55 174.45 1zrp s ASP 13 N 1.95 6.27 0.62 4.32 2.15 -1.26 -0.78 116.67 129.93 1zrp s ASP 13 Ca 0.03 -0.59 0.37 0.00 0.43 0.00 0.00 52.55 52.79 1zrp s ASP 13 Cb -0.21 -2.30 2.05 0.00 -0.30 0.00 0.00 42.92 42.16 1zrp s ASP 13 CO 0.05 -0.81 2.28 -0.33 -0.17 0.00 0.00 175.17 176.20 1zrp h GLU 14 N 8.91 0.00 0.00 4.34 5.08 -1.68 0.84 114.58 132.08 1zrp h GLU 14 Ca -0.26 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 1zrp h GLU 14 Cb 1.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1zrp h GLU 14 CO 0.91 0.01 -0.70 0.22 -1.00 0.00 0.00 179.01 178.45 1zrp h ASP 15 N 0.00 0.00 0.75 1.42 1.82 -1.84 0.96 116.42 119.53 1zrp h ASP 15 Ca -0.00 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.45 1zrp h ASP 15 Cb 0.07 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 1zrp h ASP 15 CO 0.00 0.70 -1.37 0.00 -1.61 0.00 0.00 179.24 176.96 1zrp h ALA 16 N 1.30 0.67 -2.06 -0.78 0.00 -1.34 -3.35 119.26 113.69 1zrp h ALA 16 Ca -0.01 -0.94 0.08 0.00 0.00 0.00 0.00 54.91 54.05 1zrp h ALA 16 Cb 1.43 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1zrp h ALA 16 CO 0.09 1.04 -0.11 0.41 0.00 0.00 0.00 179.25 180.68 1zrp n GLY 17 N 1.41 -1.24 2.53 0.00 0.00 0.27 -4.42 105.19 103.75 1zrp n GLY 17 Ca -0.10 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.91 2.51 0.29 1.61 2.03 0.18 -4.79 116.55 115.47 1zrp n ASP 18 Ca 0.00 -3.21 0.11 0.00 0.52 0.00 0.00 54.79 52.22 1zrp n ASP 18 Cb 0.13 -0.55 0.61 0.00 -0.72 0.00 0.00 41.12 40.59 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 2.92 0.00 -0.06 -0.67 0.11 -1.41 0.88 132.00 133.78 1zrp h PRO 19 Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1zrp h PRO 19 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1zrp h PRO 19 CO 0.63 0.00 0.03 -0.44 -0.21 0.00 0.00 178.00 178.01 1zrp h ASP 20 N 0.00 0.07 -0.46 -2.05 5.19 -1.91 -2.24 116.42 115.02 1zrp h ASP 20 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1zrp h ASP 20 Cb 0.76 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1zrp h ASP 20 CO 0.00 0.14 0.00 0.59 -3.12 0.00 0.00 179.24 176.85 1zrp n ASN 21 N -5.00 5.00 -1.07 6.45 3.02 0.15 -4.95 115.26 118.86 1zrp n ASN 21 Ca -0.06 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1zrp n ASN 21 Cb 0.07 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 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 0.24 0.75 2.84 7.41 0.00 -0.64 -5.08 105.19 110.71 1zrp n GLY 22 Ca 0.25 -0.39 -0.26 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 -2.74 0.75 0.43 -0.61 1.09 -0.32 -4.90 121.20 114.91 1zrp s ILE 23 Ca 0.00 -0.20 -0.21 0.00 -1.10 0.00 0.00 60.65 59.14 1zrp s ILE 23 Cb 0.00 -0.88 -0.11 0.00 -1.06 0.00 0.00 42.46 40.41 1zrp s ILE 23 CO 0.00 0.24 0.95 -0.44 -0.10 0.00 0.00 174.94 175.60 1zrp s SER 24 N 1.81 6.91 -0.84 3.58 0.01 -1.26 -0.65 113.70 123.26 1zrp s SER 24 Ca 0.04 1.69 -0.22 0.00 1.31 0.00 0.00 55.95 58.77 1zrp s SER 24 Cb -0.13 -2.54 -0.19 0.00 0.21 0.00 0.00 66.02 63.37 1zrp s SER 24 CO -0.07 -0.38 2.33 -2.65 0.41 0.00 0.00 173.24 172.88 1zrp n PRO 25 N -0.69 0.40 0.00 12.44 -0.02 -1.26 -1.07 135.00 144.81 1zrp n PRO 25 Ca 0.07 -0.68 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 1zrp n PRO 25 Cb 0.54 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 6.45 0.66 3.76 -1.23 0.00 0.33 -4.93 105.19 110.22 1zrp n GLY 26 Ca 0.51 0.00 -0.40 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 -0.74 4.13 0.51 2.61 2.01 -0.23 -4.99 115.64 118.93 1zrp s THR 27 Ca 0.00 2.01 -0.05 0.00 0.31 0.00 0.00 61.69 63.96 1zrp s THR 27 Cb 0.00 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 1zrp s THR 27 CO 0.00 0.49 0.81 -0.54 -0.69 0.00 0.00 174.62 174.69 1zrp s LYS 28 N -1.21 3.34 0.02 4.92 1.02 -1.26 -4.64 119.74 121.93 1zrp s LYS 28 Ca 0.40 0.11 -0.15 0.00 0.02 0.00 0.00 55.97 56.35 1zrp s LYS 28 Cb -0.25 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.62 1zrp s LYS 28 CO 0.31 -0.35 1.13 0.35 -0.92 0.00 0.00 175.35 175.87 1zrp h PHE 29 N 0.12 -0.50 0.00 3.18 3.57 -1.97 0.07 116.94 121.41 1zrp h PHE 29 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1zrp h PHE 29 Cb 1.22 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1zrp h PHE 29 CO 0.55 -0.31 0.00 -1.91 -2.23 0.00 0.00 178.31 174.40 1zrp n GLU 30 N -3.57 0.94 0.03 1.11 2.13 -1.26 0.51 120.64 120.55 1zrp n GLU 30 Ca -0.07 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.87 1zrp n GLU 30 Cb 0.21 -1.05 0.03 0.00 0.27 0.00 0.00 31.44 30.90 1zrp n GLU 30 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1zrp n GLU 31 N -0.55 0.32 -0.50 5.31 -0.58 -0.26 -4.90 120.64 119.47 1zrp n GLU 31 Ca 0.02 0.01 -0.29 0.00 -0.42 0.00 0.00 57.16 56.49 1zrp n GLU 31 Cb 0.01 -1.61 0.27 0.00 -0.57 0.00 0.00 31.44 29.53 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1zrp s LEU 32 N -4.06 0.31 0.69 -4.62 1.43 0.18 -4.87 118.68 107.74 1zrp s LEU 32 Ca 0.03 1.34 -0.17 0.00 -1.03 0.00 0.00 54.13 54.31 1zrp s LEU 32 Cb 0.14 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1zrp s LEU 32 CO 0.80 -4.53 0.61 -2.65 0.23 0.00 0.00 176.35 170.81 1zrp n PRO 33 N -5.12 0.39 0.13 1.29 -0.02 -1.26 -4.90 135.00 125.51 1zrp n PRO 33 Ca 0.04 0.17 -0.02 0.00 -2.02 0.00 0.00 63.50 61.68 1zrp n PRO 33 Cb 0.56 -1.88 0.14 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.22 0.02 -0.59 2.55 3.32 -1.94 -2.08 116.42 117.48 1zrp h ASP 34 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1zrp h ASP 34 Cb 1.36 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1zrp h ASP 34 CO 0.44 0.66 0.00 -0.67 -1.72 0.00 0.00 179.24 177.96 1zrp n ASP 35 N -3.77 5.34 -4.59 6.45 -0.08 -1.26 -4.79 116.55 113.84 1zrp n ASP 35 Ca -0.01 -2.77 -0.42 0.00 -1.51 0.00 0.00 54.79 50.08 1zrp n ASP 35 Cb 0.64 -0.64 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1zrp s TRP 36 N -2.45 1.54 0.44 -0.67 -0.00 -0.78 -4.96 118.94 112.05 1zrp s TRP 36 Ca 0.53 0.71 0.06 0.00 -0.00 0.00 0.00 56.10 57.40 1zrp s TRP 36 Cb 0.38 -4.01 -0.06 0.00 -0.00 0.00 0.00 33.47 29.78 1zrp s TRP 36 CO 0.19 -3.16 0.02 0.14 -0.00 0.00 0.00 176.95 174.14 1zrp s VAL 37 N 8.06 1.81 0.05 5.86 -7.23 -1.26 -1.62 120.40 126.07 1zrp s VAL 37 Ca 0.86 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.74 1zrp s VAL 37 Cb -0.24 -2.79 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 1zrp s VAL 37 CO 0.32 0.00 1.80 0.00 -0.31 0.00 0.00 175.10 176.91 1zrp h PRO 39 N 9.36 0.00 0.00 0.00 0.10 -1.97 -1.69 132.00 137.80 1zrp h PRO 39 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.65 1zrp h PRO 39 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1zrp h PRO 39 CO 0.94 0.00 0.00 -0.89 0.10 0.00 0.00 178.00 178.15 1zrp n ILE 40 N -3.69 0.00 0.13 4.15 -0.00 -1.26 -4.83 119.36 113.85 1zrp n ILE 40 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.85 1zrp n ILE 40 Cb 0.55 -0.65 0.03 0.00 -0.00 0.00 0.00 39.64 39.57 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 1.23 0.70 3.65 0.00 0.00 -0.64 -5.01 105.19 105.12 1zrp n GLY 42 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 3.65 1.06 4.61 0.00 -1.26 -4.56 121.76 123.26 1zrp s ALA 43 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 1zrp s ALA 43 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1zrp s ALA 43 CO 0.00 -1.09 -0.47 -2.30 0.00 0.00 0.00 175.76 171.90 1zrp n PRO 44 N 6.33 -1.16 0.00 0.00 -0.02 -1.26 0.53 135.00 139.42 1zrp n PRO 44 Ca 0.11 -0.33 0.01 0.00 -2.02 0.00 0.00 63.50 61.27 1zrp n PRO 44 Cb 0.46 -1.44 0.05 0.00 -0.02 0.00 0.00 33.50 32.55 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 -0.55 0.00 -0.61 -0.52 2.85 -0.64 -1.35 118.16 117.35 1zrp n LYS 45 Ca 0.00 0.47 0.03 0.00 -1.05 0.00 0.00 58.31 57.76 1zrp n LYS 45 Cb 0.63 -1.51 0.26 0.00 -0.65 0.00 0.00 35.03 33.76 1zrp n LYS 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1zrp n SER 46 N -1.51 4.08 -0.16 -5.58 2.88 -1.26 -1.80 113.62 110.27 1zrp n SER 46 Ca 0.00 -2.65 0.05 0.00 -1.33 0.00 0.00 58.87 54.95 1zrp n SER 46 Cb 0.03 -0.63 0.07 0.00 -0.75 0.00 0.00 64.21 62.93 1zrp n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1zrp n GLU 47 N 0.34 1.15 -3.54 -1.46 4.71 -0.46 -4.96 120.64 116.43 1zrp n GLU 47 Ca 0.20 -1.85 -0.41 0.00 -0.01 0.00 0.00 57.16 55.09 1zrp n GLU 47 Cb 0.91 -1.09 -0.09 0.00 -1.01 0.00 0.00 31.44 30.16 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1zrp s PHE 48 N -1.63 3.37 0.07 -0.32 0.40 -0.75 -1.94 117.98 117.19 1zrp s PHE 48 Ca 0.16 -1.66 -0.01 0.00 -0.60 0.00 0.00 56.93 54.82 1zrp s PHE 48 Cb 0.14 -3.34 0.02 0.00 0.51 0.00 0.00 43.02 40.35 1zrp s PHE 48 CO 0.02 -0.94 0.08 -1.91 0.70 0.00 0.00 175.22 173.16 1zrp n GLU 49 N 4.96 -0.71 -4.06 0.44 2.13 0.20 -4.75 120.64 118.84 1zrp n GLU 49 Ca -0.09 -0.12 -0.30 0.00 0.66 0.00 0.00 57.16 57.30 1zrp n GLU 49 Cb 0.41 -0.10 -0.07 0.00 0.27 0.00 0.00 31.44 31.96 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 -3.18 2.84 -0.65 5.31 3.01 -1.26 -0.46 119.74 125.36 1zrp s LYS 50 Ca 0.05 -0.70 0.05 0.00 -1.01 0.00 0.00 55.97 54.36 1zrp s LYS 50 Cb -0.00 -2.70 0.27 0.00 -1.01 0.00 0.00 37.83 34.38 1zrp s LYS 50 CO 0.04 0.56 0.81 -0.11 0.51 0.00 0.00 175.35 177.16 1zrp n LEU 51 N 0.50 4.00 0.00 3.17 -0.00 -0.95 -4.76 117.00 118.96 1zrp n LEU 51 Ca -0.09 -5.48 0.00 0.00 -0.00 0.00 0.00 56.01 50.44 1zrp n LEU 51 Cb 0.52 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 1zrp n LEU 51 CO 0.43 2.10 0.00 -0.62 -0.00 0.00 0.00 177.39 179.30 1zrp n GLU 52 N 0.68 2.51 -0.76 1.96 1.02 -1.26 -4.91 120.64 119.88 1zrp n GLU 52 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1zrp n GLU 52 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 1zrp n GLU 52 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84