#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 3.27 0.18 0.00 0.00 -1.26 -1.99 119.74 119.93 1zrp s LYS 2 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 55.97 55.29 1zrp s LYS 2 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 37.83 35.13 1zrp s LYS 2 CO 0.00 0.04 0.27 -1.58 0.00 0.00 0.00 175.35 174.08 1zrp s TRP 3 N 0.77 3.40 0.19 1.78 0.52 0.78 -1.54 118.94 124.85 1zrp s TRP 3 Ca -0.05 0.05 0.10 0.00 0.02 0.00 0.00 56.10 56.22 1zrp s TRP 3 Cb -0.15 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 1zrp s TRP 3 CO 0.01 0.50 -0.20 0.54 0.02 0.00 0.00 176.95 177.82 1zrp s VAL 4 N -1.82 2.05 -0.38 4.03 0.11 0.20 0.59 120.40 125.18 1zrp s VAL 4 Ca 0.34 -2.04 -0.27 0.00 -2.93 0.00 0.00 61.98 57.07 1zrp s VAL 4 Cb -0.10 -2.00 0.02 0.00 -1.53 0.00 0.00 36.38 32.76 1zrp s VAL 4 CO 0.28 -0.30 1.00 0.00 -3.33 0.00 0.00 175.10 172.75 1zrp h LYS 6 N 8.54 0.00 0.00 0.00 3.11 -1.73 -1.86 116.57 124.62 1zrp h LYS 6 Ca -0.22 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1zrp h LYS 6 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1zrp h LYS 6 CO 1.02 0.03 0.00 -0.89 -2.81 0.00 0.00 179.45 176.80 1zrp n ILE 7 N -3.66 0.00 0.01 2.00 -0.00 -1.26 -4.69 119.36 111.76 1zrp n ILE 7 Ca -0.03 0.39 -0.09 0.00 -0.00 0.00 0.00 62.75 63.03 1zrp n ILE 7 Cb 0.12 -1.20 -0.13 0.00 -0.00 0.00 0.00 39.64 38.43 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 1.51 1.04 3.78 0.00 0.00 -0.70 -5.08 105.19 105.74 1zrp n GLY 9 Ca -0.12 0.00 -0.29 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 2.50 0.01 1.61 5.04 -1.26 -4.81 117.35 118.44 1zrp s TYR 10 Ca 0.00 0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 1zrp s TYR 10 Cb 0.00 -3.38 -0.01 0.00 0.35 0.00 0.00 41.96 38.92 1zrp s TYR 10 CO 0.00 -2.39 0.00 0.42 -1.34 0.00 0.00 175.55 172.24 1zrp s ILE 11 N -3.26 0.08 -0.18 3.14 1.09 -1.26 0.57 121.20 121.38 1zrp s ILE 11 Ca 0.64 -0.69 -0.03 0.00 -1.10 0.00 0.00 60.65 59.47 1zrp s ILE 11 Cb -0.15 -0.24 -0.01 0.00 -1.06 0.00 0.00 42.46 41.00 1zrp s ILE 11 CO 0.54 -0.38 -0.07 -0.47 -0.10 0.00 0.00 174.94 174.46 1zrp s TYR 12 N -1.14 2.93 -0.31 3.97 5.04 0.20 -4.94 117.35 123.09 1zrp s TYR 12 Ca -0.12 -0.75 -0.08 0.00 -2.44 0.00 0.00 57.07 53.68 1zrp s TYR 12 Cb -0.08 -2.00 0.01 0.00 0.35 0.00 0.00 41.96 40.24 1zrp s TYR 12 CO -0.00 -0.37 0.11 0.34 -1.34 0.00 0.00 175.55 174.29 1zrp s ASP 13 N 0.97 5.30 0.37 4.32 -1.08 -1.26 -0.16 116.67 125.12 1zrp s ASP 13 Ca -0.01 -0.72 0.12 0.00 -0.52 0.00 0.00 52.55 51.42 1zrp s ASP 13 Cb -0.15 -1.92 0.71 0.00 -1.46 0.00 0.00 42.92 40.10 1zrp s ASP 13 CO 0.00 -0.22 1.82 -0.33 0.52 0.00 0.00 175.17 176.97 1zrp h GLU 14 N 8.28 0.03 0.00 4.34 5.08 -1.70 0.69 114.58 131.29 1zrp h GLU 14 Ca -0.30 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1zrp h GLU 14 Cb 1.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1zrp h GLU 14 CO 0.61 0.39 -0.21 0.22 -1.00 0.00 0.00 179.01 179.02 1zrp h ASP 15 N 0.03 0.00 0.00 1.42 1.82 -1.89 -2.87 116.42 114.93 1zrp h ASP 15 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1zrp h ASP 15 Cb 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1zrp h ASP 15 CO 0.05 0.21 -1.50 0.00 -1.61 0.00 0.00 179.24 176.38 1zrp n ALA 16 N -2.28 2.92 -0.63 -0.78 0.00 -0.07 -4.64 120.51 115.03 1zrp n ALA 16 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1zrp n ALA 16 Cb 0.35 -0.55 -0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 1.54 -1.40 2.66 0.00 0.00 0.22 -4.43 105.19 103.78 1zrp n GLY 17 Ca -0.02 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.53 1.87 0.32 1.61 2.03 -0.78 -4.61 116.55 115.47 1zrp n ASP 18 Ca 0.00 -2.72 0.11 0.00 0.52 0.00 0.00 54.79 52.69 1zrp n ASP 18 Cb 0.01 -0.51 0.57 0.00 -0.72 0.00 0.00 41.12 40.47 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 2.88 0.00 0.00 -0.67 0.13 -0.91 0.21 132.00 133.64 1zrp h PRO 19 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1zrp h PRO 19 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1zrp h PRO 19 CO 0.49 0.00 -0.06 -0.44 -0.23 0.00 0.00 178.00 177.75 1zrp h ASP 20 N 0.00 0.00 0.00 1.44 5.19 -1.92 -2.52 116.42 118.60 1zrp h ASP 20 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1zrp h ASP 20 Cb 1.02 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.34 1zrp h ASP 20 CO 0.00 0.06 -0.73 0.59 -3.12 0.00 0.00 179.24 176.04 1zrp n ASN 21 N -4.46 1.22 -0.64 6.45 3.02 0.65 -4.97 115.26 116.53 1zrp n ASN 21 Ca -0.03 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 1zrp n ASN 21 Cb 0.14 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.23 0.69 3.07 7.41 0.00 -0.95 -5.08 105.19 110.10 1zrp n GLY 22 Ca 0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.75 1.53 0.25 -0.61 1.09 -0.57 -4.92 121.20 115.22 1zrp s ILE 23 Ca 0.00 -0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 58.59 1zrp s ILE 23 Cb 0.00 -1.40 -0.09 0.00 -1.06 0.00 0.00 42.46 39.91 1zrp s ILE 23 CO 0.00 0.45 0.92 -0.55 -0.10 0.00 0.00 174.94 175.66 1zrp s SER 24 N 0.95 7.57 -0.36 3.58 0.15 -1.26 -0.29 113.70 124.03 1zrp s SER 24 Ca -0.07 1.90 -0.27 0.00 0.70 0.00 0.00 55.95 58.20 1zrp s SER 24 Cb -0.15 -2.59 -0.30 0.00 -1.71 0.00 0.00 66.02 61.26 1zrp s SER 24 CO -0.01 0.13 1.70 -0.81 1.20 0.00 0.00 173.24 175.45 1zrp n PRO 25 N 1.35 0.03 0.00 5.44 -0.05 -1.26 -1.14 135.00 139.37 1zrp n PRO 25 Ca -0.02 -1.16 0.00 0.00 -0.05 0.00 0.00 63.50 62.27 1zrp n PRO 25 Cb 0.48 -2.88 0.00 0.00 -0.05 0.00 0.00 33.50 31.05 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 5.30 0.23 3.77 0.55 0.00 -1.09 -4.83 105.19 109.12 1zrp n GLY 26 Ca 0.42 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 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 2.09 0.67 2.61 2.01 -0.29 -4.98 115.64 117.74 1zrp s THR 27 Ca 0.00 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1zrp s THR 27 Cb 0.00 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.52 1zrp s THR 27 CO 0.00 0.01 0.96 -0.75 -0.69 0.00 0.00 174.62 174.15 1zrp s LYS 28 N -2.33 2.21 0.02 4.92 2.20 -1.26 -4.78 119.74 120.71 1zrp s LYS 28 Ca 0.58 -0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 55.59 1zrp s LYS 28 Cb -0.44 -2.26 -0.08 0.00 -1.51 0.00 0.00 37.83 33.54 1zrp s LYS 28 CO 0.58 -1.15 1.13 0.35 -0.36 0.00 0.00 175.35 175.91 1zrp h PHE 29 N -0.45 -0.48 0.00 4.03 3.57 -1.94 0.21 116.94 121.88 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 1.31 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1zrp h PHE 29 CO 0.26 -0.30 0.00 0.39 -2.23 0.00 0.00 178.31 176.44 1zrp n GLU 30 N -3.47 0.96 -0.60 1.11 1.02 -1.26 0.19 120.64 118.59 1zrp n GLU 30 Ca -0.06 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1zrp n GLU 30 Cb 0.20 -1.15 0.30 0.00 -0.02 0.00 0.00 31.44 30.78 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1zrp n GLU 31 N -0.65 3.49 -1.98 3.49 4.07 -0.20 -4.97 120.64 123.90 1zrp n GLU 31 Ca 0.07 -2.95 -0.29 0.00 -0.06 0.00 0.00 57.16 53.93 1zrp n GLU 31 Cb 0.03 -1.98 0.06 0.00 -0.06 0.00 0.00 31.44 29.50 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 -2.83 2.79 0.71 4.31 1.43 0.13 -4.35 118.68 120.87 1zrp s LEU 32 Ca 0.46 0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1zrp s LEU 32 Cb 0.37 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 1zrp s LEU 32 CO 0.11 -1.53 0.29 -0.81 0.23 0.00 0.00 176.35 174.64 1zrp n PRO 33 N -3.06 0.22 0.05 1.29 -0.04 -1.26 -4.90 135.00 127.30 1zrp n PRO 33 Ca 0.07 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 1zrp n PRO 33 Cb 0.59 -1.60 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.36 -0.03 -0.93 3.54 5.19 -1.98 -2.35 116.42 119.50 1zrp h ASP 34 Ca -0.45 -0.07 -0.63 0.00 -0.62 0.00 0.00 57.03 55.27 1zrp h ASP 34 Cb 1.36 0.01 -0.31 0.00 0.18 0.00 0.00 39.33 40.57 1zrp h ASP 34 CO 0.41 0.05 0.50 -0.67 -3.12 0.00 0.00 179.24 176.41 1zrp n ASP 35 N -5.07 6.75 -4.64 6.45 2.03 -1.26 -4.98 116.55 115.82 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 0.08 -0.84 -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 -3.73 1.81 0.46 -0.67 -0.00 -0.89 -4.92 118.94 111.00 1zrp s TRP 36 Ca 0.61 0.29 0.05 0.00 -0.00 0.00 0.00 56.10 57.04 1zrp s TRP 36 Cb 0.49 -4.00 -0.04 0.00 -0.00 0.00 0.00 33.47 29.92 1zrp s TRP 36 CO 0.01 -3.76 0.08 0.14 -0.00 0.00 0.00 176.95 173.41 1zrp s VAL 37 N 5.20 1.69 0.08 5.86 -7.23 -1.26 -1.81 120.40 122.94 1zrp s VAL 37 Ca 0.79 -1.89 -0.31 0.00 -1.81 0.00 0.00 61.98 58.76 1zrp s VAL 37 Cb -0.31 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 33.96 1zrp s VAL 37 CO 0.32 0.00 1.79 0.00 -0.31 0.00 0.00 175.10 176.90 1zrp h PRO 39 N 8.90 0.00 0.00 0.00 0.10 -1.97 -1.64 132.00 137.39 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 -3.67 0.00 0.20 4.15 -0.00 -1.26 -4.83 119.36 113.94 1zrp n ILE 40 Ca 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 62.94 1zrp n ILE 40 Cb 0.72 -0.80 0.14 0.00 -0.00 0.00 0.00 39.64 39.70 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 1.13 0.73 3.58 0.00 0.00 -0.62 -4.99 105.19 105.02 1zrp n GLY 42 Ca 0.03 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 3.29 0.99 4.61 0.00 -1.26 -4.50 121.76 122.89 1zrp s ALA 43 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 1zrp s ALA 43 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1zrp s ALA 43 CO 0.00 -1.91 -0.44 -2.30 0.00 0.00 0.00 175.76 171.11 1zrp n PRO 44 N 7.09 -0.21 0.23 0.00 -0.01 -1.26 -0.38 135.00 140.45 1zrp n PRO 44 Ca 0.07 -0.05 0.16 0.00 -0.01 0.00 0.00 63.50 63.67 1zrp n PRO 44 Cb 0.48 -1.33 0.82 0.00 -0.01 0.00 0.00 33.50 33.47 1zrp n PRO 44 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 175.50 177.06 1zrp h LYS 45 N -1.26 0.00 0.00 -0.52 -0.00 -1.71 -2.17 116.57 110.91 1zrp h LYS 45 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 1zrp h LYS 45 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.54 1zrp h LYS 45 CO 0.27 0.00 0.00 1.03 -0.00 0.00 0.00 179.45 180.75 1zrp h SER 46 N 0.00 0.00 -0.14 7.07 0.87 -1.87 -0.47 113.55 119.00 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 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1zrp h SER 46 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1zrp n GLU 47 N -3.01 2.21 -3.29 2.24 -0.58 -0.82 -4.89 120.64 112.51 1zrp n GLU 47 Ca -0.02 -2.67 -0.44 0.00 -0.42 0.00 0.00 57.16 53.61 1zrp n GLU 47 Cb 0.10 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.24 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 -2.75 3.15 0.09 -0.32 0.40 -0.19 -2.15 117.98 116.22 1zrp s PHE 48 Ca 0.36 -0.69 -0.24 0.00 -0.60 0.00 0.00 56.93 55.76 1zrp s PHE 48 Cb 0.30 -3.27 -0.06 0.00 0.51 0.00 0.00 43.02 40.49 1zrp s PHE 48 CO 0.06 -0.88 0.74 -1.83 0.70 0.00 0.00 175.22 174.01 1zrp s GLU 49 N 2.11 4.48 0.08 0.44 4.04 0.20 -4.80 118.70 125.25 1zrp s GLU 49 Ca 0.10 1.04 -0.14 0.00 0.04 0.00 0.00 54.97 56.01 1zrp s GLU 49 Cb -0.21 -3.31 -0.06 0.00 0.02 0.00 0.00 34.13 30.56 1zrp s GLU 49 CO 0.10 0.43 0.48 -1.59 -1.84 0.00 0.00 175.26 172.84 1zrp s LYS 50 N -0.58 3.95 -0.35 -4.83 -2.85 -1.26 0.58 119.74 114.40 1zrp s LYS 50 Ca 0.36 0.44 -0.05 0.00 -1.00 0.00 0.00 55.97 55.71 1zrp s LYS 50 Cb -0.21 -3.08 0.01 0.00 -2.06 0.00 0.00 37.83 32.49 1zrp s LYS 50 CO 0.23 0.58 0.21 1.28 0.10 0.00 0.00 175.35 177.75 1zrp n LEU 51 N 1.26 -8.03 -4.39 2.77 7.99 -0.59 -4.92 117.00 111.10 1zrp n LEU 51 Ca -0.09 1.14 -0.37 0.00 -0.01 0.00 0.00 56.01 56.67 1zrp n LEU 51 Cb 0.52 -3.38 -0.12 0.00 -0.11 0.00 0.00 43.42 40.32 1zrp n LEU 51 CO 0.41 -2.94 -0.27 -0.70 -1.51 0.00 0.00 177.39 172.38 1zrp s GLU 52 N -1.97 3.31 0.00 3.23 -6.30 -1.26 -5.06 118.70 110.65 1zrp s GLU 52 Ca 0.09 -0.71 0.22 0.00 -2.50 0.00 0.00 54.97 52.07 1zrp s GLU 52 Cb -0.02 -3.38 0.18 0.00 0.00 0.00 0.00 34.13 30.90 1zrp s GLU 52 CO 0.78 -0.36 1.21 -3.47 0.02 0.00 0.00 175.26 173.44