#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 1.31 -0.06 0.00 -2.85 -1.26 -1.90 119.74 114.97 1zrp s LYS 2 Ca 0.00 -1.39 -0.01 0.00 -1.00 0.00 0.00 55.97 53.57 1zrp s LYS 2 Cb 0.00 -1.47 0.03 0.00 -2.06 0.00 0.00 37.83 34.32 1zrp s LYS 2 CO 0.00 0.31 -0.00 -1.58 0.10 0.00 0.00 175.35 174.18 1zrp s TRP 3 N -1.77 0.63 -0.16 1.78 0.52 0.94 -1.71 118.94 119.18 1zrp s TRP 3 Ca 0.15 -0.15 -0.10 0.00 0.02 0.00 0.00 56.10 56.02 1zrp s TRP 3 Cb -0.07 -0.73 -0.05 0.00 -1.15 0.00 0.00 33.47 31.47 1zrp s TRP 3 CO 0.07 -0.28 0.19 0.54 0.02 0.00 0.00 176.95 177.48 1zrp s VAL 4 N 1.71 5.39 -0.34 4.03 0.11 0.20 0.59 120.40 132.08 1zrp s VAL 4 Ca 0.01 0.32 -0.28 0.00 -2.93 0.00 0.00 61.98 59.09 1zrp s VAL 4 Cb -0.13 -3.50 -0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1zrp s VAL 4 CO -0.04 0.49 1.73 0.00 -3.33 0.00 0.00 175.10 173.95 1zrp n LYS 6 N 8.35 1.65 0.00 0.00 3.00 -0.94 -1.74 118.16 128.48 1zrp n LYS 6 Ca 0.22 -0.74 0.00 0.00 -0.00 0.00 0.00 58.31 57.79 1zrp n LYS 6 Cb 0.47 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.15 1zrp n LYS 6 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1zrp n ILE 7 N 0.10 0.00 0.03 3.15 -0.00 -1.26 -4.88 119.36 116.50 1zrp n ILE 7 Ca 0.07 0.23 -0.22 0.00 -0.00 0.00 0.00 62.75 62.83 1zrp n ILE 7 Cb 0.28 -0.98 -0.14 0.00 -0.00 0.00 0.00 39.64 38.80 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 1.84 1.68 3.87 0.00 0.00 -0.71 -5.10 105.19 106.76 1zrp n GLY 9 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 3.61 0.17 1.61 5.04 -1.26 -4.87 117.35 119.66 1zrp s TYR 10 Ca 0.00 1.27 0.07 0.00 -2.44 0.00 0.00 57.07 55.97 1zrp s TYR 10 Cb 0.00 -2.74 -0.04 0.00 0.35 0.00 0.00 41.96 39.53 1zrp s TYR 10 CO 0.00 -0.72 -0.14 0.42 -1.34 0.00 0.00 175.55 173.77 1zrp s ILE 11 N -3.19 1.59 -0.10 3.14 -1.09 -1.26 0.54 121.20 120.83 1zrp s ILE 11 Ca 0.55 -2.05 0.04 0.00 -2.23 0.00 0.00 60.65 56.95 1zrp s ILE 11 Cb -0.11 -1.89 -0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1zrp s ILE 11 CO 0.54 -0.54 -0.23 -0.47 -1.23 0.00 0.00 174.94 173.01 1zrp s TYR 12 N -2.72 2.58 -0.29 3.97 5.04 0.20 -4.95 117.35 121.17 1zrp s TYR 12 Ca 0.18 -0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 53.82 1zrp s TYR 12 Cb -0.02 -1.72 0.04 0.00 0.35 0.00 0.00 41.96 40.62 1zrp s TYR 12 CO 0.05 -0.38 -0.00 0.34 -1.34 0.00 0.00 175.55 174.23 1zrp s ASP 13 N 0.29 4.82 0.49 4.32 2.15 -1.26 -0.04 116.67 127.44 1zrp s ASP 13 Ca -0.17 -1.16 0.33 0.00 0.43 0.00 0.00 52.55 51.99 1zrp s ASP 13 Cb -0.17 -1.72 1.71 0.00 -0.30 0.00 0.00 42.92 42.44 1zrp s ASP 13 CO 0.08 -0.24 2.01 -0.33 -0.17 0.00 0.00 175.17 176.52 1zrp h GLU 14 N 8.03 0.00 0.00 4.34 5.08 -1.62 0.66 114.58 131.07 1zrp h GLU 14 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1zrp h GLU 14 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1zrp h GLU 14 CO 0.55 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.09 1zrp n ASP 15 N -2.71 0.00 0.32 1.42 2.03 -1.26 -2.60 116.55 113.75 1zrp n ASP 15 Ca -0.01 0.67 0.22 0.00 0.52 0.00 0.00 54.79 56.18 1zrp n ASP 15 Cb 0.10 -0.18 1.16 0.00 -0.72 0.00 0.00 41.12 41.48 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zrp h ALA 16 N -2.00 1.00 -0.95 -1.67 0.00 -0.14 -3.10 119.26 112.39 1zrp h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrp h ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1zrp h ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1zrp n GLY 17 N -1.10 0.85 2.33 0.00 0.00 0.61 -4.01 105.19 103.87 1zrp n GLY 17 Ca -0.03 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.85 1.52 0.28 1.61 2.03 -0.64 -4.53 116.55 113.98 1zrp n ASP 18 Ca 0.00 -3.08 0.18 0.00 0.52 0.00 0.00 54.79 52.42 1zrp n ASP 18 Cb 0.00 -0.62 0.94 0.00 -0.72 0.00 0.00 41.12 40.72 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 3.35 0.00 0.00 -0.67 0.13 -1.67 0.62 132.00 133.77 1zrp h PRO 19 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1zrp h PRO 19 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1zrp h PRO 19 CO 0.57 0.00 -0.08 -0.44 -0.23 0.00 0.00 178.00 177.82 1zrp h ASP 20 N 0.00 0.00 0.00 1.44 3.32 -1.93 -2.52 116.42 116.74 1zrp h ASP 20 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1zrp h ASP 20 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1zrp h ASP 20 CO -0.00 0.08 -0.32 0.59 -1.72 0.00 0.00 179.24 177.87 1zrp n ASN 21 N -4.42 1.14 -0.74 6.45 3.02 0.10 -5.00 115.26 115.81 1zrp n ASN 21 Ca -0.03 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.96 1zrp n ASN 21 Cb 0.16 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.64 0.61 3.20 7.41 0.00 -0.94 -5.07 105.19 109.76 1zrp n GLY 22 Ca 0.08 -0.48 -0.33 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 -2.80 2.36 0.28 -0.61 1.09 -0.52 -4.95 121.20 116.05 1zrp s ILE 23 Ca 0.00 -0.86 -0.29 0.00 -1.10 0.00 0.00 60.65 58.39 1zrp s ILE 23 Cb 0.00 -1.99 -0.10 0.00 -1.06 0.00 0.00 42.46 39.32 1zrp s ILE 23 CO 0.00 0.53 1.12 -0.44 -0.10 0.00 0.00 174.94 176.05 1zrp s SER 24 N 0.97 7.21 -0.24 3.58 0.01 -1.26 -1.61 113.70 122.36 1zrp s SER 24 Ca -0.03 2.31 -0.26 0.00 1.31 0.00 0.00 55.95 59.29 1zrp s SER 24 Cb -0.15 -2.63 -0.30 0.00 0.21 0.00 0.00 66.02 63.16 1zrp s SER 24 CO -0.04 -0.19 1.57 -0.81 0.41 0.00 0.00 173.24 174.18 1zrp n PRO 25 N 1.19 0.02 0.00 12.44 -0.05 -1.26 -1.10 135.00 146.24 1zrp n PRO 25 Ca -0.01 -1.02 0.00 0.00 -0.05 0.00 0.00 63.50 62.43 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 5.08 0.19 3.73 0.55 0.00 -1.07 -4.78 105.19 108.89 1zrp n GLY 26 Ca 0.39 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 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 2.03 0.44 2.61 2.01 -0.26 -4.89 115.64 117.57 1zrp s THR 27 Ca 0.00 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.10 1zrp s THR 27 Cb 0.00 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1zrp s THR 27 CO 0.00 -0.00 0.42 -0.54 -0.69 0.00 0.00 174.62 173.81 1zrp s LYS 28 N -3.34 2.53 0.02 4.92 1.02 -1.26 -4.57 119.74 119.05 1zrp s LYS 28 Ca 0.82 -1.56 -0.17 0.00 0.02 0.00 0.00 55.97 55.09 1zrp s LYS 28 Cb -0.38 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.43 1zrp s LYS 28 CO 0.40 -0.27 1.16 0.35 -0.92 0.00 0.00 175.35 176.07 1zrp h PHE 29 N 0.92 -0.56 0.00 3.18 3.57 -1.95 -0.58 116.94 121.52 1zrp h PHE 29 Ca -0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1zrp h PHE 29 Cb 1.27 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1zrp h PHE 29 CO 0.54 -0.35 0.00 -1.91 -2.23 0.00 0.00 178.31 174.36 1zrp n GLU 30 N -3.77 0.94 -0.76 1.11 2.13 -1.26 0.58 120.64 119.62 1zrp n GLU 30 Ca -0.08 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.77 1zrp n GLU 30 Cb 0.24 -1.18 0.30 0.00 0.27 0.00 0.00 31.44 31.08 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 -0.68 3.51 -2.36 5.31 0.00 -0.36 -4.95 120.64 121.11 1zrp n GLU 31 Ca 0.08 -3.03 -0.24 0.00 0.00 0.00 0.00 57.16 53.97 1zrp n GLU 31 Cb 0.04 -2.05 0.06 0.00 0.00 0.00 0.00 31.44 29.48 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 -2.91 2.98 0.63 4.31 1.43 0.20 -4.54 118.68 120.78 1zrp s LEU 32 Ca 0.49 0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 53.70 1zrp s LEU 32 Cb 0.40 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1zrp s LEU 32 CO 0.11 -1.43 0.84 -2.65 0.23 0.00 0.00 176.35 173.45 1zrp n PRO 33 N -2.71 0.70 0.12 1.29 -0.02 -1.26 -4.91 135.00 128.21 1zrp n PRO 33 Ca 0.08 0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 1zrp n PRO 33 Cb 0.60 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.00 0.87 2.55 3.32 -1.97 -1.29 116.42 120.12 1zrp h ASP 34 Ca -0.48 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1zrp h ASP 34 Cb 1.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 1zrp h ASP 34 CO 0.49 0.67 -0.01 0.44 -1.72 0.00 0.00 179.24 179.11 1zrp h ASP 35 N 0.00 0.00 -2.08 6.45 5.19 -2.05 -3.45 116.42 120.48 1zrp h ASP 35 Ca -0.01 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 1zrp h ASP 35 Cb 1.37 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.87 1zrp h ASP 35 CO 0.09 0.01 1.47 0.86 -3.12 0.00 0.00 179.24 178.54 1zrp s TRP 36 N -3.74 1.25 0.53 4.55 -0.00 -0.49 -4.91 118.94 116.13 1zrp s TRP 36 Ca 0.00 0.57 0.01 0.00 -0.00 0.00 0.00 56.10 56.69 1zrp s TRP 36 Cb 0.10 -3.95 0.00 0.00 -0.00 0.00 0.00 33.47 29.62 1zrp s TRP 36 CO 0.53 -3.90 0.07 0.14 -0.00 0.00 0.00 176.95 173.79 1zrp s VAL 37 N 8.20 1.17 -0.06 5.86 -7.23 -1.26 -1.61 120.40 125.47 1zrp s VAL 37 Ca 0.98 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 1zrp s VAL 37 Cb -0.31 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 1zrp s VAL 37 CO 0.35 0.00 1.67 0.00 -0.31 0.00 0.00 175.10 176.81 1zrp h PRO 39 N 9.69 0.00 0.00 0.00 0.11 -1.98 -1.84 132.00 137.98 1zrp h PRO 39 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1zrp h PRO 39 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1zrp h PRO 39 CO 0.96 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.86 1zrp n ILE 40 N -3.76 0.00 0.10 4.15 -0.00 -1.26 -4.83 119.36 113.77 1zrp n ILE 40 Ca 0.10 0.04 0.01 0.00 -0.00 0.00 0.00 62.75 62.90 1zrp n ILE 40 Cb 0.72 -0.69 -0.02 0.00 -0.00 0.00 0.00 39.64 39.66 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 1.28 1.09 3.59 0.00 0.00 -0.70 -5.03 105.19 105.43 1zrp n GLY 42 Ca -0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 3.51 1.09 4.61 0.00 -1.26 -4.67 121.76 123.04 1zrp s ALA 43 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 1zrp s ALA 43 Cb 0.00 -3.06 0.19 0.00 0.00 0.00 0.00 23.12 20.25 1zrp s ALA 43 CO 0.00 -1.10 0.34 -2.30 0.00 0.00 0.00 175.76 172.70 1zrp n PRO 44 N 5.82 -2.50 0.12 0.00 -0.02 -1.26 -0.28 135.00 136.88 1zrp n PRO 44 Ca -0.02 -0.74 0.08 0.00 -2.02 0.00 0.00 63.50 60.80 1zrp n PRO 44 Cb 0.49 -1.57 0.43 0.00 -0.02 0.00 0.00 33.50 32.84 1zrp n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1zrp n LYS 45 N -2.34 0.11 -0.18 -0.52 4.81 -0.63 -2.12 118.16 117.29 1zrp n LYS 45 Ca 0.06 0.58 -0.01 0.00 -0.87 0.00 0.00 58.31 58.06 1zrp n LYS 45 Cb 0.43 -1.83 0.21 0.00 0.02 0.00 0.00 35.03 33.86 1zrp n LYS 45 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1zrp h SER 46 N 0.00 0.83 -0.42 3.14 0.87 -1.87 -2.39 113.55 113.72 1zrp h SER 46 Ca 0.00 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1zrp h SER 46 Cb 0.04 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1zrp h SER 46 CO 0.00 0.71 0.02 -0.62 -0.53 0.00 0.00 176.83 176.41 1zrp n GLU 47 N -4.34 3.70 -3.08 2.24 -0.58 -0.90 -4.80 120.64 112.86 1zrp n GLU 47 Ca 0.06 -3.00 -0.44 0.00 -0.42 0.00 0.00 57.16 53.36 1zrp n GLU 47 Cb 0.13 -2.03 -0.06 0.00 -0.57 0.00 0.00 31.44 28.91 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 -2.84 2.98 -0.09 -0.32 0.40 -0.90 -2.22 117.98 114.99 1zrp s PHE 48 Ca 0.48 -0.49 -0.25 0.00 -0.60 0.00 0.00 56.93 56.07 1zrp s PHE 48 Cb 0.38 -3.71 -0.03 0.00 0.51 0.00 0.00 43.02 40.17 1zrp s PHE 48 CO 0.12 -1.14 0.79 -1.21 0.70 0.00 0.00 175.22 174.47 1zrp s GLU 49 N 2.92 4.41 -0.49 0.44 2.02 0.20 -4.77 118.70 123.44 1zrp s GLU 49 Ca 0.18 1.01 -0.29 0.00 0.02 0.00 0.00 54.97 55.89 1zrp s GLU 49 Cb -0.18 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.58 1zrp s GLU 49 CO 0.13 -0.08 1.21 -1.59 0.02 0.00 0.00 175.26 174.94 1zrp s LYS 50 N 1.28 3.64 -0.71 1.61 0.00 -1.26 0.58 119.74 124.87 1zrp s LYS 50 Ca 0.40 0.57 0.04 0.00 0.00 0.00 0.00 55.97 56.98 1zrp s LYS 50 Cb -0.18 -3.96 0.30 0.00 0.00 0.00 0.00 37.83 33.99 1zrp s LYS 50 CO 0.18 -1.50 1.03 -0.11 0.00 0.00 0.00 175.35 174.95 1zrp n LEU 51 N 8.21 4.77 -4.70 2.77 0.00 -0.69 -4.94 117.00 122.42 1zrp n LEU 51 Ca 0.12 -5.50 -0.33 0.00 0.00 0.00 0.00 56.01 50.29 1zrp n LEU 51 Cb 0.49 -0.76 0.12 0.00 0.00 0.00 0.00 43.42 43.27 1zrp n LEU 51 CO 0.72 2.13 0.77 -0.70 0.00 0.00 0.00 177.39 180.30 1zrp s GLU 52 N -3.10 1.74 0.00 1.96 2.12 -1.25 -4.55 118.70 115.62 1zrp s GLU 52 Ca 0.42 1.74 0.30 0.00 0.36 0.00 0.00 54.97 57.80 1zrp s GLU 52 Cb 0.19 -1.79 1.57 0.00 0.26 0.00 0.00 34.13 34.37 1zrp s GLU 52 CO -0.06 -2.13 2.04 -3.47 -0.54 0.00 0.00 175.26 171.10