#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 2.39 0.48 0.00 2.20 -1.26 -2.09 119.74 121.45 1zrp s LYS 2 Ca 0.00 -0.60 0.05 0.00 -0.36 0.00 0.00 55.97 55.06 1zrp s LYS 2 Cb 0.00 -2.11 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 1zrp s LYS 2 CO 0.00 -0.17 0.23 -1.58 -0.36 0.00 0.00 175.35 173.46 1zrp s TRP 3 N 1.30 2.13 0.01 4.03 0.52 0.20 -1.99 118.94 125.14 1zrp s TRP 3 Ca 0.01 -0.74 -0.13 0.00 0.02 0.00 0.00 56.10 55.26 1zrp s TRP 3 Cb -0.14 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.32 1zrp s TRP 3 CO -0.08 -0.04 0.28 0.54 0.02 0.00 0.00 176.95 177.67 1zrp s VAL 4 N -2.71 0.07 -0.31 4.03 0.11 0.10 0.05 120.40 121.74 1zrp s VAL 4 Ca 0.32 -0.60 -0.25 0.00 -2.93 0.00 0.00 61.98 58.52 1zrp s VAL 4 Cb 0.01 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1zrp s VAL 4 CO 0.18 -0.33 0.86 0.00 -3.33 0.00 0.00 175.10 172.48 1zrp n LYS 6 N 6.39 2.57 0.00 0.00 0.00 -0.87 -1.61 118.16 124.64 1zrp n LYS 6 Ca 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 58.31 56.96 1zrp n LYS 6 Cb 0.48 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.79 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 0.34 0.00 0.04 3.15 5.41 -1.26 -4.86 119.36 122.17 1zrp n ILE 7 Ca 0.13 0.17 -0.09 0.00 1.00 0.00 0.00 62.75 63.95 1zrp n ILE 7 Cb 0.60 -1.13 -0.13 0.00 -0.71 0.00 0.00 39.64 38.27 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 1.45 1.02 3.72 0.00 0.00 -0.63 -5.09 105.19 105.66 1zrp n GLY 9 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 2.34 0.13 1.61 5.04 -1.25 -4.83 117.35 118.39 1zrp s TYR 10 Ca 0.00 1.26 0.07 0.00 -2.44 0.00 0.00 57.07 55.97 1zrp s TYR 10 Cb 0.00 -3.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.11 1zrp s TYR 10 CO 0.00 -2.36 -0.17 0.42 -1.34 0.00 0.00 175.55 172.10 1zrp s ILE 11 N -2.94 1.61 -0.13 3.14 -1.09 -1.26 0.59 121.20 121.12 1zrp s ILE 11 Ca 0.63 -1.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1zrp s ILE 11 Cb -0.18 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1zrp s ILE 11 CO 0.57 -0.29 -0.22 -0.47 -1.23 0.00 0.00 174.94 173.29 1zrp s TYR 12 N -1.87 2.64 -0.26 3.97 5.04 0.11 -4.90 117.35 122.07 1zrp s TYR 12 Ca 0.11 -1.20 -0.02 0.00 -2.44 0.00 0.00 57.07 53.52 1zrp s TYR 12 Cb -0.06 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.49 1zrp s TYR 12 CO 0.05 -0.52 -0.04 0.34 -1.34 0.00 0.00 175.55 174.04 1zrp s ASP 13 N 0.64 4.52 0.46 4.32 2.15 -1.26 0.58 116.67 128.07 1zrp s ASP 13 Ca -0.11 -0.95 0.25 0.00 0.43 0.00 0.00 52.55 52.16 1zrp s ASP 13 Cb -0.16 -1.69 1.00 0.00 -0.30 0.00 0.00 42.92 41.76 1zrp s ASP 13 CO 0.02 -0.16 1.86 -0.33 -0.17 0.00 0.00 175.17 176.39 1zrp h GLU 14 N 8.03 0.00 -0.38 4.34 5.08 -1.71 0.53 114.58 130.46 1zrp h GLU 14 Ca -0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 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 0.57 0.20 0.19 0.22 -1.00 0.00 0.00 179.01 179.19 1zrp h ASP 15 N 0.00 0.46 0.00 1.42 3.58 -1.89 0.17 116.42 120.17 1zrp h ASP 15 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1zrp h ASP 15 Cb 0.69 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1zrp h ASP 15 CO 0.03 0.39 -1.65 0.00 -2.88 0.00 0.00 179.24 175.13 1zrp n ALA 16 N -2.48 3.25 -0.92 -0.78 0.00 -0.07 -4.34 120.51 115.18 1zrp n ALA 16 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1zrp n ALA 16 Cb 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.38 1.02 2.69 0.00 0.00 0.17 -4.46 105.19 105.98 1zrp n GLY 17 Ca -0.02 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.47 -0.62 0.33 1.61 2.03 -0.86 -4.60 116.55 111.97 1zrp n ASP 18 Ca 0.00 -2.51 0.12 0.00 0.52 0.00 0.00 54.79 52.92 1zrp n ASP 18 Cb 0.00 0.42 0.67 0.00 -0.72 0.00 0.00 41.12 41.49 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 2.30 0.00 0.00 -0.67 0.11 -1.68 0.59 132.00 132.65 1zrp h PRO 19 Ca -0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 1zrp h PRO 19 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1zrp h PRO 19 CO 0.12 0.00 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.40 1zrp h ASP 20 N 0.00 0.00 0.00 -2.05 5.19 -1.94 -2.05 116.42 115.58 1zrp h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1zrp h ASP 20 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1zrp h ASP 20 CO 0.00 0.08 -0.17 0.59 -3.12 0.00 0.00 179.24 176.61 1zrp n ASN 21 N -4.15 1.49 -0.62 6.45 3.02 0.20 -4.98 115.26 116.66 1zrp n ASN 21 Ca -0.03 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 1zrp n ASN 21 Cb 0.16 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.89 0.80 3.40 7.41 0.00 -0.68 -5.06 105.19 110.17 1zrp n GLY 22 Ca 0.10 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.93 3.83 0.43 -0.61 1.09 -0.60 -4.91 121.20 117.49 1zrp s ILE 23 Ca 0.00 -0.34 -0.24 0.00 -1.10 0.00 0.00 60.65 58.97 1zrp s ILE 23 Cb 0.00 -2.75 -0.08 0.00 -1.06 0.00 0.00 42.46 38.57 1zrp s ILE 23 CO 0.00 0.41 1.12 -0.44 -0.10 0.00 0.00 174.94 175.93 1zrp s SER 24 N 1.29 6.46 -0.82 3.58 0.01 -1.26 -2.03 113.70 120.92 1zrp s SER 24 Ca 0.04 2.20 -0.22 0.00 1.31 0.00 0.00 55.95 59.28 1zrp s SER 24 Cb -0.15 -2.60 -0.19 0.00 0.21 0.00 0.00 66.02 63.30 1zrp s SER 24 CO 0.01 -0.71 2.36 -2.65 0.41 0.00 0.00 173.24 172.66 1zrp n PRO 25 N -0.24 0.44 0.00 12.44 -0.02 -1.26 -1.60 135.00 144.77 1zrp n PRO 25 Ca 0.06 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1zrp n PRO 25 Cb 0.48 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 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 6.40 1.23 3.75 -1.23 0.00 0.60 -4.91 105.19 111.03 1zrp n GLY 26 Ca 0.52 0.00 -0.41 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 -1.30 2.83 0.51 2.61 2.01 -0.63 -4.96 115.64 116.71 1zrp s THR 27 Ca 0.00 0.71 -0.17 0.00 0.31 0.00 0.00 61.69 62.54 1zrp s THR 27 Cb 0.00 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 1zrp s THR 27 CO 0.00 0.12 0.99 -0.75 -0.69 0.00 0.00 174.62 174.28 1zrp s LYS 28 N -0.47 3.94 0.02 4.92 2.47 -1.26 -4.73 119.74 124.63 1zrp s LYS 28 Ca 0.57 0.99 -0.16 0.00 -1.56 0.00 0.00 55.97 55.81 1zrp s LYS 28 Cb -0.40 -2.13 -0.09 0.00 -1.46 0.00 0.00 37.83 33.75 1zrp s LYS 28 CO 0.43 -0.27 1.14 0.35 0.16 0.00 0.00 175.35 177.16 1zrp h PHE 29 N 0.99 -0.52 0.00 4.03 3.57 -1.96 0.83 116.94 123.88 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 1.19 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1zrp h PHE 29 CO 0.63 -0.32 0.00 -1.91 -2.23 0.00 0.00 178.31 174.48 1zrp n GLU 30 N -3.61 0.95 -0.27 1.11 4.07 -1.26 0.58 120.64 122.21 1zrp n GLU 30 Ca -0.07 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.12 1zrp n GLU 30 Cb 0.22 -1.15 0.19 0.00 -0.06 0.00 0.00 31.44 30.64 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1zrp n GLU 31 N -0.65 1.87 -1.30 5.31 0.00 -0.34 -5.02 120.64 120.52 1zrp n GLU 31 Ca 0.07 -2.75 -0.29 0.00 0.00 0.00 0.00 57.16 54.19 1zrp n GLU 31 Cb 0.03 -1.64 0.18 0.00 0.00 0.00 0.00 31.44 30.01 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 1.57 0.83 4.31 1.43 0.27 -4.52 118.68 119.67 1zrp s LEU 32 Ca 0.37 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.25 1zrp s LEU 32 Cb 0.31 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 1zrp s LEU 32 CO 0.04 -3.16 0.15 -2.65 0.23 0.00 0.00 176.35 170.96 1zrp n PRO 33 N -4.16 0.02 -0.11 1.29 -0.02 -1.26 -4.89 135.00 125.88 1zrp n PRO 33 Ca 0.08 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1zrp n PRO 33 Cb 0.59 -1.59 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.86 0.42 -0.42 2.55 3.32 -2.00 -2.39 116.42 117.05 1zrp h ASP 34 Ca -0.44 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.35 1zrp h ASP 34 Cb 1.33 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.67 1zrp h ASP 34 CO 0.36 0.40 0.04 0.47 -1.72 0.00 0.00 179.24 178.79 1zrp n ASP 35 N -4.78 3.17 -4.64 6.45 8.00 -1.26 -5.01 116.55 118.48 1zrp n ASP 35 Ca -0.01 -3.51 -0.42 0.00 0.71 0.00 0.00 54.79 51.56 1zrp n ASP 35 Cb 0.08 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 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 -3.12 1.38 0.43 1.24 -0.00 -0.90 -4.87 118.94 113.10 1zrp s TRP 36 Ca 0.46 0.03 0.00 0.00 -0.00 0.00 0.00 56.10 56.59 1zrp s TRP 36 Cb 0.40 -4.09 -0.00 0.00 -0.00 0.00 0.00 33.47 29.78 1zrp s TRP 36 CO 0.04 -4.66 0.01 1.33 -0.00 0.00 0.00 176.95 173.68 1zrp n VAL 37 N 6.39 0.00 -2.21 5.86 0.24 -1.26 -1.72 118.33 125.62 1zrp n VAL 37 Ca 0.23 -2.06 -0.42 0.00 -2.04 0.00 0.00 64.34 60.04 1zrp n VAL 37 Cb 0.43 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 1zrp n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1zrp h PRO 39 N 8.03 0.00 0.00 0.00 0.11 -1.97 -1.51 132.00 136.66 1zrp h PRO 39 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1zrp h PRO 39 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1zrp h PRO 39 CO 0.91 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.81 1zrp n ILE 40 N -3.45 0.00 0.72 4.15 -0.00 -1.26 -4.83 119.36 114.69 1zrp n ILE 40 Ca 0.05 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.93 1zrp n ILE 40 Cb 0.59 -0.80 0.44 0.00 -0.00 0.00 0.00 39.64 39.87 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 1.36 0.61 3.56 0.00 0.00 -0.57 -4.98 105.19 105.17 1zrp n GLY 42 Ca 0.06 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 3.52 0.99 4.61 0.00 -1.26 -4.50 121.76 123.12 1zrp s ALA 43 Ca 0.00 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 1zrp s ALA 43 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1zrp s ALA 43 CO 0.00 -0.90 -0.16 -2.30 0.00 0.00 0.00 175.76 172.39 1zrp n PRO 44 N 5.31 -0.33 0.05 0.00 -0.02 -1.26 -0.34 135.00 138.40 1zrp n PRO 44 Ca -0.10 -0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.35 1zrp n PRO 44 Cb 0.50 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.67 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 -0.10 0.04 0.20 -0.52 2.85 -0.70 -2.10 118.16 117.83 1zrp n LYS 45 Ca 0.03 0.52 0.06 0.00 -1.05 0.00 0.00 58.31 57.87 1zrp n LYS 45 Cb 0.57 -1.64 0.54 0.00 -0.65 0.00 0.00 35.03 33.85 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 0.09 -0.50 -5.58 4.64 -1.87 0.11 113.55 110.44 1zrp h SER 46 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1zrp h SER 46 Cb 0.02 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1zrp h SER 46 CO 0.00 0.14 0.05 -0.62 -0.87 0.00 0.00 176.83 175.53 1zrp n GLU 47 N -4.44 4.00 -3.49 4.77 1.02 -0.89 -4.81 120.64 116.80 1zrp n GLU 47 Ca -0.02 -3.06 -0.40 0.00 -0.02 0.00 0.00 57.16 53.66 1zrp n GLU 47 Cb 0.15 -2.12 -0.10 0.00 -0.02 0.00 0.00 31.44 29.34 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 -2.85 3.22 0.74 -0.32 0.40 0.37 -2.05 117.98 117.48 1zrp s PHE 48 Ca 0.51 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1zrp s PHE 48 Cb 0.40 -2.53 0.14 0.00 0.51 0.00 0.00 43.02 41.54 1zrp s PHE 48 CO 0.13 -0.35 1.01 -2.00 0.70 0.00 0.00 175.22 174.71 1zrp s GLU 49 N 1.85 1.57 0.25 0.44 2.56 0.20 -4.85 118.70 120.72 1zrp s GLU 49 Ca 0.09 -1.28 0.10 0.00 0.00 0.00 0.00 54.97 53.87 1zrp s GLU 49 Cb -0.17 -2.35 -0.04 0.00 2.00 0.00 0.00 34.13 33.57 1zrp s GLU 49 CO 0.11 -1.52 -0.04 0.15 -0.56 0.00 0.00 175.26 173.40 1zrp s LYS 50 N -5.15 2.20 -0.44 4.30 1.02 -1.26 0.03 119.74 120.43 1zrp s LYS 50 Ca 0.68 -1.43 0.05 0.00 0.02 0.00 0.00 55.97 55.29 1zrp s LYS 50 Cb -0.04 -2.12 0.19 0.00 -0.52 0.00 0.00 37.83 35.34 1zrp s LYS 50 CO 0.45 0.37 0.42 1.47 -0.92 0.00 0.00 175.35 177.13 1zrp n LEU 51 N -0.73 0.17 -4.49 3.17 -0.00 -0.84 -4.85 117.00 109.43 1zrp n LEU 51 Ca -0.07 -4.57 -0.43 0.00 -0.00 0.00 0.00 56.01 50.94 1zrp n LEU 51 Cb 0.59 0.40 -0.01 0.00 -0.00 0.00 0.00 43.42 44.39 1zrp n LEU 51 CO 0.39 1.91 1.37 -1.61 -0.00 0.00 0.00 177.39 179.46 1zrp s GLU 52 N -0.49 3.84 0.00 1.47 0.41 -1.26 -4.60 118.70 118.06 1zrp s GLU 52 Ca 0.33 -1.99 0.00 0.00 -0.41 0.00 0.00 54.97 52.90 1zrp s GLU 52 Cb 0.07 -5.14 0.00 0.00 -1.78 0.00 0.00 34.13 27.27 1zrp s GLU 52 CO -0.17 -1.92 0.00 -3.47 -0.49 0.00 0.00 175.26 169.21