#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 2.34 0.03 0.00 -2.85 -1.22 -2.15 119.74 115.89 1zrp s LYS 2 Ca 0.00 -0.61 -0.01 0.00 -1.00 0.00 0.00 55.97 54.35 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 -0.04 0.20 -1.58 0.10 0.00 0.00 175.35 174.03 1zrp s TRP 3 N 0.92 3.53 -0.08 1.78 0.52 0.58 -2.16 118.94 124.04 1zrp s TRP 3 Ca -0.08 0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.40 1zrp s TRP 3 Cb -0.15 -1.80 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 1zrp s TRP 3 CO -0.01 0.62 -0.22 0.54 0.02 0.00 0.00 176.95 177.90 1zrp s VAL 4 N -1.42 1.85 -0.38 4.03 0.11 -0.91 0.58 120.40 124.26 1zrp s VAL 4 Ca 0.31 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 58.16 1zrp s VAL 4 Cb -0.13 -1.60 -0.00 0.00 -1.53 0.00 0.00 36.38 33.12 1zrp s VAL 4 CO 0.23 0.52 1.61 0.00 -3.33 0.00 0.00 175.10 174.12 1zrp h LYS 6 N 11.83 0.00 0.00 0.00 3.64 -1.74 -1.92 116.57 128.38 1zrp h LYS 6 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1zrp h LYS 6 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1zrp h LYS 6 CO 1.07 0.06 0.00 -0.89 -2.27 0.00 0.00 179.45 177.41 1zrp n ILE 7 N -3.71 0.00 0.01 2.00 -0.00 -1.26 -4.69 119.36 111.70 1zrp n ILE 7 Ca -0.02 0.77 -0.19 0.00 -0.00 0.00 0.00 62.75 63.31 1zrp n ILE 7 Cb 0.16 -1.71 -0.14 0.00 -0.00 0.00 0.00 39.64 37.94 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 1.89 1.97 3.96 0.00 0.00 -0.73 -5.10 105.19 107.19 1zrp n GLY 9 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.09 1.61 5.04 -1.25 -4.90 117.35 118.63 1zrp s TYR 10 Ca 0.00 0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1zrp s TYR 10 Cb 0.00 -2.84 0.05 0.00 0.35 0.00 0.00 41.96 39.52 1zrp s TYR 10 CO 0.00 -0.97 0.20 0.42 -1.34 0.00 0.00 175.55 173.86 1zrp s ILE 11 N -2.85 -0.11 -0.08 3.14 1.09 -1.26 0.59 121.20 121.71 1zrp s ILE 11 Ca 0.58 0.20 -0.29 0.00 -1.10 0.00 0.00 60.65 60.03 1zrp s ILE 11 Cb -0.10 -0.33 -0.02 0.00 -1.06 0.00 0.00 42.46 40.95 1zrp s ILE 11 CO 0.40 0.08 0.99 -0.47 -0.10 0.00 0.00 174.94 175.84 1zrp s TYR 12 N 1.48 3.55 -0.29 3.97 5.04 0.20 -4.93 117.35 126.37 1zrp s TYR 12 Ca -0.07 1.60 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 1zrp s TYR 12 Cb -0.11 -3.16 0.04 0.00 0.35 0.00 0.00 41.96 39.08 1zrp s TYR 12 CO -0.07 -0.16 -0.02 0.34 -1.34 0.00 0.00 175.55 174.30 1zrp s ASP 13 N 1.07 4.74 0.49 4.32 2.15 -1.26 -0.30 116.67 127.88 1zrp s ASP 13 Ca 0.49 -1.16 0.33 0.00 0.43 0.00 0.00 52.55 52.64 1zrp s ASP 13 Cb -0.19 -1.70 1.57 0.00 -0.30 0.00 0.00 42.92 42.30 1zrp s ASP 13 CO 0.20 -0.22 2.00 -0.33 -0.17 0.00 0.00 175.17 176.65 1zrp h GLU 14 N 8.00 0.00 0.00 4.34 5.08 -1.71 0.73 114.58 131.03 1zrp h GLU 14 Ca -0.24 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 1zrp h GLU 14 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1zrp h GLU 14 CO 0.54 0.00 -0.51 0.22 -1.00 0.00 0.00 179.01 178.26 1zrp h ASP 15 N 0.00 0.00 0.00 1.42 1.82 -1.86 -0.75 116.42 117.05 1zrp h ASP 15 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1zrp h ASP 15 Cb 0.26 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1zrp h ASP 15 CO 0.00 0.51 -0.65 0.00 -1.61 0.00 0.00 179.24 177.49 1zrp h ALA 16 N 1.49 0.07 0.00 -0.78 0.00 -0.17 -3.42 119.26 116.45 1zrp h ALA 16 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1zrp h ALA 16 Cb 0.98 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1zrp h ALA 16 CO 0.07 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1zrp n GLY 17 N 1.58 0.48 2.70 0.00 0.00 0.20 -2.84 105.19 107.31 1zrp n GLY 17 Ca -0.13 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 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 0.10 -2.50 -0.17 1.61 -0.08 -0.90 -4.62 116.55 109.98 1zrp n ASP 18 Ca 0.00 -3.38 0.11 0.00 -1.51 0.00 0.00 54.79 50.01 1zrp n ASP 18 Cb 0.00 1.67 0.43 0.00 2.34 0.00 0.00 41.12 45.56 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1zrp h PRO 19 N 3.70 0.56 0.00 -0.67 0.11 -1.75 0.29 132.00 134.24 1zrp h PRO 19 Ca -0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1zrp h PRO 19 Cb 1.04 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1zrp h PRO 19 CO 0.29 0.37 0.00 -0.44 -0.21 0.00 0.00 178.00 178.01 1zrp h ASP 20 N 0.58 0.00 0.00 -2.05 3.32 -1.96 -0.52 116.42 115.79 1zrp h ASP 20 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1zrp h ASP 20 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1zrp h ASP 20 CO -0.12 0.00 -0.10 0.59 -1.72 0.00 0.00 179.24 177.89 1zrp n ASN 21 N -3.06 1.86 -1.08 6.45 3.02 0.30 -4.97 115.26 117.78 1zrp n ASN 21 Ca -0.02 -2.82 -0.08 0.00 -0.03 0.00 0.00 54.58 51.64 1zrp n ASN 21 Cb 0.15 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.11 0.20 3.68 7.41 0.00 -0.20 -5.03 105.19 110.14 1zrp n GLY 22 Ca 0.12 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.62 4.28 0.09 -0.61 1.09 0.75 -4.96 121.20 119.22 1zrp s ILE 23 Ca 0.07 -0.33 0.01 0.00 -1.10 0.00 0.00 60.65 59.30 1zrp s ILE 23 Cb -0.03 -2.82 -0.04 0.00 -1.06 0.00 0.00 42.46 38.51 1zrp s ILE 23 CO 0.09 0.55 0.20 -0.44 -0.10 0.00 0.00 174.94 175.23 1zrp s SER 24 N -1.05 6.17 -0.30 3.58 0.01 -1.26 -2.12 113.70 118.73 1zrp s SER 24 Ca 0.15 0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.31 1zrp s SER 24 Cb -0.11 -1.84 -0.32 0.00 0.21 0.00 0.00 66.02 63.95 1zrp s SER 24 CO 0.04 0.14 1.68 -0.81 0.41 0.00 0.00 173.24 174.71 1zrp n PRO 25 N 0.12 0.02 0.00 12.44 -0.04 -1.13 -1.16 135.00 145.25 1zrp n PRO 25 Ca -0.06 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 1zrp n PRO 25 Cb 0.52 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 5.24 0.17 3.72 0.55 0.00 -0.29 -4.80 105.19 109.79 1zrp n GLY 26 Ca 0.43 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 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 2.08 0.42 2.61 2.01 -0.31 -4.96 115.64 117.49 1zrp s THR 27 Ca 0.00 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1zrp s THR 27 Cb 0.00 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1zrp s THR 27 CO 0.00 -0.02 0.60 -0.75 -0.69 0.00 0.00 174.62 173.76 1zrp s LYS 28 N -3.58 2.96 0.02 4.92 2.20 -1.26 -4.68 119.74 120.32 1zrp s LYS 28 Ca 0.80 -0.84 -0.18 0.00 -0.36 0.00 0.00 55.97 55.39 1zrp s LYS 28 Cb -0.35 -2.67 -0.10 0.00 -1.51 0.00 0.00 37.83 33.20 1zrp s LYS 28 CO 0.42 -0.22 1.19 0.35 -0.36 0.00 0.00 175.35 176.72 1zrp h PHE 29 N 0.56 -0.61 0.00 4.03 3.57 -1.95 0.05 116.94 122.58 1zrp h PHE 29 Ca -0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 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 0.42 -0.38 0.00 0.39 -2.23 0.00 0.00 178.31 176.51 1zrp n GLU 30 N -3.91 0.94 -0.60 1.11 1.02 -1.26 0.58 120.64 118.52 1zrp n GLU 30 Ca -0.08 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.12 1zrp n GLU 30 Cb 0.26 -1.10 0.29 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.60 3.33 -2.13 3.49 2.13 -0.25 -4.97 120.64 121.63 1zrp n GLU 31 Ca 0.04 -2.95 -0.27 0.00 0.66 0.00 0.00 57.16 54.65 1zrp n GLU 31 Cb 0.02 -1.96 0.07 0.00 0.27 0.00 0.00 31.44 29.84 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1zrp s LEU 32 N -2.86 2.79 0.78 4.31 1.43 0.20 -4.51 118.68 120.82 1zrp s LEU 32 Ca 0.46 0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 53.99 1zrp s LEU 32 Cb 0.37 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 1zrp s LEU 32 CO 0.10 -1.60 0.26 -2.65 0.23 0.00 0.00 176.35 172.69 1zrp n PRO 33 N -2.98 0.12 0.12 1.29 -0.02 -1.26 -4.91 135.00 127.35 1zrp n PRO 33 Ca 0.08 0.07 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 1zrp n PRO 33 Cb 0.60 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.65 -0.21 -0.89 2.55 5.19 -1.98 -2.38 116.42 118.06 1zrp h ASP 34 Ca -0.44 -0.07 -0.60 0.00 -0.62 0.00 0.00 57.03 55.29 1zrp h ASP 34 Cb 1.34 0.05 -0.32 0.00 0.18 0.00 0.00 39.33 40.58 1zrp h ASP 34 CO 0.38 -0.06 0.30 0.47 -3.12 0.00 0.00 179.24 177.21 1zrp n ASP 35 N -5.15 6.37 -4.67 6.45 8.00 -1.26 -4.97 116.55 121.31 1zrp n ASP 35 Ca -0.09 -3.77 -0.42 0.00 0.71 0.00 0.00 54.79 51.22 1zrp n ASP 35 Cb 0.16 -0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1zrp s TRP 36 N -3.70 1.80 0.35 1.24 -0.00 -0.90 -4.89 118.94 112.85 1zrp s TRP 36 Ca 0.59 -0.14 0.09 0.00 -0.00 0.00 0.00 56.10 56.64 1zrp s TRP 36 Cb 0.47 -4.15 -0.06 0.00 -0.00 0.00 0.00 33.47 29.74 1zrp s TRP 36 CO 0.01 -4.91 0.01 0.14 -0.00 0.00 0.00 176.95 172.20 1zrp s VAL 37 N 3.59 2.48 0.10 5.86 -7.23 -1.26 -1.77 120.40 122.16 1zrp s VAL 37 Ca 0.82 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.70 1zrp s VAL 37 Cb -0.42 -2.81 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 1zrp s VAL 37 CO 0.37 -0.16 1.70 0.00 -0.31 0.00 0.00 175.10 176.70 1zrp h PRO 39 N 8.14 0.00 0.00 0.00 0.13 -1.98 -1.48 132.00 136.81 1zrp h PRO 39 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1zrp h PRO 39 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1zrp h PRO 39 CO 0.93 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.81 1zrp n ILE 40 N -2.68 0.00 0.16 -3.56 -0.00 -1.26 -4.86 119.36 107.16 1zrp n ILE 40 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.79 1zrp n ILE 40 Cb 0.10 -0.76 0.06 0.00 -0.00 0.00 0.00 39.64 39.05 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 1.19 0.67 3.78 0.00 0.00 -0.56 -5.00 105.19 105.28 1zrp n GLY 42 Ca 0.02 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.21 3.50 0.89 4.61 0.00 -1.26 -4.63 121.76 122.65 1zrp s ALA 43 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 1zrp s ALA 43 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1zrp s ALA 43 CO 0.00 0.29 0.50 -2.30 0.00 0.00 0.00 175.76 174.24 1zrp n PRO 44 N 2.00 -0.13 0.01 0.00 -0.02 -1.26 0.59 135.00 136.19 1zrp n PRO 44 Ca -0.07 0.01 0.02 0.00 -2.02 0.00 0.00 63.50 61.43 1zrp n PRO 44 Cb 0.50 -1.90 0.08 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.62 0.01 -0.05 -0.52 2.85 -0.73 -1.59 118.16 116.51 1zrp n LYS 45 Ca 0.08 0.48 0.01 0.00 -1.05 0.00 0.00 58.31 57.84 1zrp n LYS 45 Cb 0.52 -1.54 0.33 0.00 -0.65 0.00 0.00 35.03 33.69 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1zrp h SER 46 N 0.00 0.58 -0.41 -5.58 4.64 -1.87 -1.61 113.55 109.30 1zrp h SER 46 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1zrp h SER 46 Cb 0.03 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1zrp h SER 46 CO 0.00 0.51 0.00 -0.62 -0.87 0.00 0.00 176.83 175.85 1zrp n GLU 47 N -4.38 3.73 -3.04 4.77 1.02 -0.62 -4.82 120.64 117.30 1zrp n GLU 47 Ca 0.04 -2.94 -0.42 0.00 -0.02 0.00 0.00 57.16 53.82 1zrp n GLU 47 Cb 0.13 -1.98 -0.06 0.00 -0.02 0.00 0.00 31.44 29.51 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 -2.65 3.13 -0.43 -0.32 0.40 -0.61 -2.23 117.98 115.26 1zrp s PHE 48 Ca 0.47 0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 57.04 1zrp s PHE 48 Cb 0.36 -3.28 0.02 0.00 0.51 0.00 0.00 43.02 40.64 1zrp s PHE 48 CO 0.13 -0.69 0.51 -2.00 0.70 0.00 0.00 175.22 173.87 1zrp s GLU 49 N 2.91 3.16 0.06 0.44 2.56 0.21 -4.74 118.70 123.28 1zrp s GLU 49 Ca 0.28 -0.64 -0.31 0.00 0.00 0.00 0.00 54.97 54.30 1zrp s GLU 49 Cb -0.14 -3.97 -0.08 0.00 2.00 0.00 0.00 34.13 31.94 1zrp s GLU 49 CO 0.16 -0.92 1.64 -1.59 -0.56 0.00 0.00 175.26 173.99 1zrp s LYS 50 N 2.38 4.20 -0.31 4.30 -2.85 -1.26 -2.14 119.74 124.06 1zrp s LYS 50 Ca 0.16 2.31 0.16 0.00 -1.00 0.00 0.00 55.97 57.59 1zrp s LYS 50 Cb -0.16 -3.63 0.47 0.00 -2.06 0.00 0.00 37.83 32.45 1zrp s LYS 50 CO 0.15 -0.74 1.08 -0.11 0.10 0.00 0.00 175.35 175.83 1zrp n LEU 51 N 5.73 2.64 -1.35 2.77 7.94 -0.92 -4.93 117.00 128.87 1zrp n LEU 51 Ca 0.16 -3.88 0.17 0.00 -1.11 0.00 0.00 56.01 51.35 1zrp n LEU 51 Cb 0.41 0.17 -0.06 0.00 0.53 0.00 0.00 43.42 44.47 1zrp n LEU 51 CO 0.62 1.57 -0.37 -1.84 -1.11 0.00 0.00 177.39 176.27 1zrp n GLU 52 N -0.45 -2.79 0.00 1.96 0.28 -1.25 -4.86 120.64 113.53 1zrp n GLU 52 Ca 0.19 2.02 0.01 0.00 -0.16 0.00 0.00 57.16 59.22 1zrp n GLU 52 Cb 0.82 -3.39 0.01 0.00 1.43 0.00 0.00 31.44 30.31 1zrp n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50