#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 1.60 0.32 0.00 -2.85 -1.26 -1.94 119.74 115.61 1zrp s LYS 2 Ca 0.00 -0.30 0.06 0.00 -1.00 0.00 0.00 55.97 54.72 1zrp s LYS 2 Cb 0.00 -1.56 -0.01 0.00 -2.06 0.00 0.00 37.83 34.20 1zrp s LYS 2 CO 0.00 -0.19 0.46 -1.58 0.10 0.00 0.00 175.35 174.14 1zrp s TRP 3 N 1.44 3.21 0.12 1.78 0.52 0.20 -1.28 118.94 124.93 1zrp s TRP 3 Ca 0.00 -0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.05 1zrp s TRP 3 Cb -0.13 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1zrp s TRP 3 CO -0.05 0.06 -0.12 0.54 0.02 0.00 0.00 176.95 177.40 1zrp s VAL 4 N -2.17 1.17 -0.31 4.03 0.11 -0.12 0.19 120.40 123.30 1zrp s VAL 4 Ca 0.43 -1.78 -0.28 0.00 -2.93 0.00 0.00 61.98 57.42 1zrp s VAL 4 Cb -0.09 -1.55 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 1zrp s VAL 4 CO 0.31 -0.54 1.04 0.00 -3.33 0.00 0.00 175.10 172.58 1zrp n LYS 6 N 6.75 2.05 0.00 0.00 2.85 -0.92 -1.63 118.16 127.27 1zrp n LYS 6 Ca 0.11 -1.05 0.00 0.00 -1.05 0.00 0.00 58.31 56.32 1zrp n LYS 6 Cb 0.47 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1zrp n LYS 6 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1zrp n ILE 7 N 0.25 0.00 0.05 0.58 -0.00 -1.26 -4.89 119.36 114.09 1zrp n ILE 7 Ca 0.09 0.08 -0.10 0.00 -0.00 0.00 0.00 62.75 62.83 1zrp n ILE 7 Cb 0.43 -1.08 -0.13 0.00 -0.00 0.00 0.00 39.64 38.86 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 1.44 1.10 3.74 0.00 0.00 -0.64 -5.08 105.19 105.75 1zrp n GLY 9 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 2.30 0.01 1.61 5.04 -1.26 -4.80 117.35 118.26 1zrp s TYR 10 Ca 0.00 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1zrp s TYR 10 Cb 0.00 -3.36 -0.01 0.00 0.35 0.00 0.00 41.96 38.94 1zrp s TYR 10 CO 0.00 -2.62 -0.02 0.42 -1.34 0.00 0.00 175.55 171.98 1zrp s ILE 11 N -3.17 0.10 -0.13 3.14 1.09 -1.26 0.57 121.20 121.55 1zrp s ILE 11 Ca 0.65 -0.59 -0.00 0.00 -1.10 0.00 0.00 60.65 59.61 1zrp s ILE 11 Cb -0.16 -0.20 -0.01 0.00 -1.06 0.00 0.00 42.46 41.03 1zrp s ILE 11 CO 0.55 -0.31 -0.13 -0.47 -0.10 0.00 0.00 174.94 174.48 1zrp s TYR 12 N -0.92 2.81 -0.22 3.97 5.04 0.13 -4.93 117.35 123.22 1zrp s TYR 12 Ca -0.10 -0.70 -0.04 0.00 -2.44 0.00 0.00 57.07 53.80 1zrp s TYR 12 Cb -0.06 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.39 1zrp s TYR 12 CO -0.01 -0.25 -0.05 0.34 -1.34 0.00 0.00 175.55 174.24 1zrp s ASP 13 N 0.42 4.23 0.40 4.32 2.15 -1.26 0.58 116.67 127.51 1zrp s ASP 13 Ca -0.10 -0.42 0.17 0.00 0.43 0.00 0.00 52.55 52.63 1zrp s ASP 13 Cb -0.16 -1.72 0.83 0.00 -0.30 0.00 0.00 42.92 41.57 1zrp s ASP 13 CO 0.05 -0.02 1.84 -0.33 -0.17 0.00 0.00 175.17 176.53 1zrp h GLU 14 N 8.10 0.00 -0.76 4.34 5.08 -1.67 0.87 114.58 130.55 1zrp h GLU 14 Ca -0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1zrp h GLU 14 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1zrp h GLU 14 CO 0.61 0.34 0.45 0.22 -1.00 0.00 0.00 179.01 179.62 1zrp h ASP 15 N 0.00 0.92 0.75 1.42 1.82 -1.90 0.59 116.42 120.01 1zrp h ASP 15 Ca -0.00 -0.07 -0.19 0.00 -0.39 0.00 0.00 57.03 56.37 1zrp h ASP 15 Cb 0.68 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.43 1zrp h ASP 15 CO 0.04 0.72 -1.37 0.00 -1.61 0.00 0.00 179.24 177.03 1zrp h ALA 16 N 1.24 0.67 -0.32 -0.78 0.00 -0.82 -3.38 119.26 115.86 1zrp h ALA 16 Ca 0.27 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1zrp h ALA 16 Cb -0.02 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1zrp h ALA 16 CO -0.05 1.06 0.00 0.41 0.00 0.00 0.00 179.25 180.67 1zrp n GLY 17 N 1.41 -0.20 2.70 0.00 0.00 0.27 -4.21 105.19 105.16 1zrp n GLY 17 Ca -0.10 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.51 -1.86 0.25 1.61 2.03 -0.78 -4.46 116.55 112.83 1zrp n ASP 18 Ca 0.00 -2.47 0.08 0.00 0.52 0.00 0.00 54.79 52.92 1zrp n ASP 18 Cb 0.00 1.09 0.42 0.00 -0.72 0.00 0.00 41.12 41.91 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 1.99 0.00 0.00 -0.67 0.13 -0.84 0.43 132.00 133.05 1zrp h PRO 19 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1zrp h PRO 19 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1zrp h PRO 19 CO -0.07 0.00 -0.06 -0.44 -0.23 0.00 0.00 178.00 177.20 1zrp h ASP 20 N 0.00 0.00 0.00 1.44 5.19 -1.94 -2.51 116.42 118.60 1zrp h ASP 20 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1zrp h ASP 20 Cb 0.94 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.39 1zrp h ASP 20 CO 0.00 0.06 -0.47 0.59 -3.12 0.00 0.00 179.24 176.30 1zrp n ASN 21 N -4.26 0.77 -0.57 6.45 3.02 0.03 -4.99 115.26 115.71 1zrp n ASN 21 Ca -0.03 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 1zrp n ASN 21 Cb 0.15 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.31 0.49 3.00 7.41 0.00 -0.95 -5.10 105.19 109.73 1zrp n GLY 22 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.17 0.87 0.21 -0.61 1.09 -0.55 -4.92 121.20 115.12 1zrp s ILE 23 Ca 0.00 -0.37 -0.13 0.00 -1.10 0.00 0.00 60.65 59.05 1zrp s ILE 23 Cb 0.00 -0.79 -0.07 0.00 -1.06 0.00 0.00 42.46 40.54 1zrp s ILE 23 CO 0.00 0.28 0.59 -0.55 -0.10 0.00 0.00 174.94 175.16 1zrp s SER 24 N 0.41 6.77 -0.84 3.58 0.15 -1.26 -0.17 113.70 122.34 1zrp s SER 24 Ca -0.07 1.08 -0.22 0.00 0.70 0.00 0.00 55.95 57.43 1zrp s SER 24 Cb -0.11 -2.29 -0.18 0.00 -1.71 0.00 0.00 66.02 61.72 1zrp s SER 24 CO 0.01 -0.01 2.31 -0.81 1.20 0.00 0.00 173.24 175.94 1zrp n PRO 25 N 0.27 0.40 0.00 5.44 -0.05 -1.26 -1.32 135.00 138.49 1zrp n PRO 25 Ca -0.02 -0.77 0.00 0.00 -0.05 0.00 0.00 63.50 62.66 1zrp n PRO 25 Cb 0.52 -3.19 0.00 0.00 -0.05 0.00 0.00 33.50 30.78 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 6.46 0.69 3.75 0.55 0.00 0.21 -4.83 105.19 112.01 1zrp n GLY 26 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.78 4.05 0.44 2.61 2.01 -0.43 -5.00 115.64 118.53 1zrp s THR 27 Ca 0.00 1.95 -0.14 0.00 0.31 0.00 0.00 61.69 63.81 1zrp s THR 27 Cb 0.00 -4.24 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 1zrp s THR 27 CO 0.00 0.42 0.86 -0.54 -0.69 0.00 0.00 174.62 174.66 1zrp s LYS 28 N -0.88 3.88 0.02 4.92 1.02 -1.26 -4.71 119.74 122.73 1zrp s LYS 28 Ca 0.44 0.70 -0.15 0.00 0.02 0.00 0.00 55.97 56.98 1zrp s LYS 28 Cb -0.27 -2.29 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 1zrp s LYS 28 CO 0.33 -0.11 1.13 0.35 -0.92 0.00 0.00 175.35 176.13 1zrp h PHE 29 N 1.23 -0.50 0.00 3.18 3.57 -1.97 0.42 116.94 122.87 1zrp h PHE 29 Ca -0.47 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1zrp h PHE 29 Cb 1.18 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1zrp h PHE 29 CO 0.62 -0.31 0.00 0.39 -2.23 0.00 0.00 178.31 176.78 1zrp n GLU 30 N -3.55 0.95 -0.42 1.11 -0.58 -1.26 0.52 120.64 117.41 1zrp n GLU 30 Ca -0.07 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.75 1zrp n GLU 30 Cb 0.21 -1.14 0.23 0.00 -0.57 0.00 0.00 31.44 30.17 1zrp n GLU 30 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zrp n GLU 31 N -0.64 2.53 -1.76 3.49 4.71 -0.28 -5.00 120.64 123.68 1zrp n GLU 31 Ca 0.06 -2.84 -0.29 0.00 -0.01 0.00 0.00 57.16 54.08 1zrp n GLU 31 Cb 0.03 -1.79 0.09 0.00 -1.01 0.00 0.00 31.44 28.77 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1zrp s LEU 32 N -2.89 2.45 0.68 -4.62 1.43 0.18 -4.53 118.68 111.39 1zrp s LEU 32 Ca 0.41 0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1zrp s LEU 32 Cb 0.34 -3.47 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 1zrp s LEU 32 CO 0.07 -1.99 0.34 -0.81 0.23 0.00 0.00 176.35 174.19 1zrp n PRO 33 N -3.40 0.27 -0.08 1.29 -0.04 -1.26 -4.90 135.00 126.89 1zrp n PRO 33 Ca 0.07 0.12 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1zrp n PRO 33 Cb 0.59 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.25 0.33 -0.59 3.54 5.19 -1.99 -2.35 116.42 120.30 1zrp h ASP 34 Ca -0.45 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 55.81 1zrp h ASP 34 Cb 1.37 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.76 1zrp h ASP 34 CO 0.42 0.33 0.08 -0.67 -3.12 0.00 0.00 179.24 176.28 1zrp n ASP 35 N -4.84 5.21 -4.63 6.45 -0.08 -1.26 -4.96 116.55 112.44 1zrp n ASP 35 Ca -0.02 -2.95 -0.43 0.00 -1.51 0.00 0.00 54.79 49.88 1zrp n ASP 35 Cb 0.08 -0.69 -0.03 0.00 2.34 0.00 0.00 41.12 42.82 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 -2.70 1.37 0.46 -0.67 -0.00 -0.89 -4.89 118.94 111.62 1zrp s TRP 36 Ca 0.51 0.11 0.05 0.00 -0.00 0.00 0.00 56.10 56.77 1zrp s TRP 36 Cb 0.40 -4.07 -0.04 0.00 -0.00 0.00 0.00 33.47 29.76 1zrp s TRP 36 CO 0.14 -4.54 0.10 0.14 -0.00 0.00 0.00 176.95 172.80 1zrp s VAL 37 N 6.14 1.74 0.07 5.86 -7.23 -1.26 -1.83 120.40 123.89 1zrp s VAL 37 Ca 0.90 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.91 1zrp s VAL 37 Cb -0.36 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 33.90 1zrp s VAL 37 CO 0.37 0.00 1.64 0.00 -0.31 0.00 0.00 175.10 176.80 1zrp h PRO 39 N 8.30 0.00 0.00 0.00 0.13 -1.98 -1.50 132.00 136.95 1zrp h PRO 39 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1zrp h PRO 39 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 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 -3.47 0.00 0.21 -3.56 -0.00 -1.26 -4.84 119.36 106.45 1zrp n ILE 40 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.88 1zrp n ILE 40 Cb 0.40 -0.74 0.16 0.00 -0.00 0.00 0.00 39.64 39.47 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 1.09 0.55 3.77 0.00 0.00 -0.57 -4.99 105.19 105.05 1zrp n GLY 42 Ca 0.04 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.33 3.48 0.79 4.61 0.00 -1.26 -4.63 121.76 122.42 1zrp s ALA 43 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 1zrp s ALA 43 Cb -0.00 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1zrp s ALA 43 CO 0.00 0.22 0.65 -2.30 0.00 0.00 0.00 175.76 174.33 1zrp n PRO 44 N 2.34 0.17 0.07 0.00 -0.02 -1.26 0.58 135.00 136.88 1zrp n PRO 44 Ca -0.07 0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.58 1zrp n PRO 44 Cb 0.50 -1.97 0.26 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.46 0.06 0.29 -0.52 2.85 -0.76 0.58 118.16 119.21 1zrp n LYS 45 Ca 0.10 0.52 0.19 0.00 -1.05 0.00 0.00 58.31 58.08 1zrp n LYS 45 Cb 0.51 -1.68 0.96 0.00 -0.65 0.00 0.00 35.03 34.16 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 0.00 -0.33 -5.58 4.64 -1.87 -1.95 113.55 108.46 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 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1zrp h SER 46 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1zrp n GLU 47 N -2.95 3.05 -3.53 4.77 4.71 0.20 -4.87 120.64 122.02 1zrp n GLU 47 Ca -0.01 -2.61 -0.42 0.00 -0.01 0.00 0.00 57.16 54.11 1zrp n GLU 47 Cb 0.15 -1.69 -0.09 0.00 -1.01 0.00 0.00 31.44 28.80 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 -2.18 3.29 0.00 -0.32 0.40 -0.73 -2.15 117.98 116.28 1zrp s PHE 48 Ca 0.37 -1.21 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1zrp s PHE 48 Cb 0.27 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.88 1zrp s PHE 48 CO 0.12 -0.79 0.00 -1.91 0.70 0.00 0.00 175.22 173.34 1zrp n GLU 49 N 5.03 0.39 -4.39 0.44 2.13 0.20 -4.79 120.64 119.66 1zrp n GLU 49 Ca -0.11 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.43 1zrp n GLU 49 Cb 0.44 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.03 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 -1.02 1.54 -0.46 5.31 1.02 -1.26 -0.94 119.74 123.92 1zrp s LYS 50 Ca 0.00 -1.42 0.08 0.00 0.02 0.00 0.00 55.97 54.66 1zrp s LYS 50 Cb 0.00 -1.91 0.38 0.00 -0.52 0.00 0.00 37.83 35.78 1zrp s LYS 50 CO 0.00 0.43 0.94 -0.11 -0.92 0.00 0.00 175.35 175.69 1zrp n LEU 51 N 0.52 3.31 -0.11 3.17 7.94 -0.40 -4.62 117.00 126.80 1zrp n LEU 51 Ca -0.15 -5.15 -0.21 0.00 -1.11 0.00 0.00 56.01 49.39 1zrp n LEU 51 Cb 0.55 -0.11 -0.09 0.00 0.53 0.00 0.00 43.42 44.30 1zrp n LEU 51 CO 0.28 2.21 -0.86 1.21 -1.11 0.00 0.00 177.39 179.11 1zrp n GLU 52 N -0.16 0.56 -0.53 1.96 2.13 -1.26 -4.77 120.64 118.57 1zrp n GLU 52 Ca 0.29 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1zrp n GLU 52 Cb 0.57 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.67 1zrp n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25