#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 3.34 0.37 0.00 3.01 -1.26 -1.51 119.74 123.68 1zrp s LYS 2 Ca 0.00 -0.30 0.08 0.00 -1.01 0.00 0.00 55.97 54.74 1zrp s LYS 2 Cb 0.00 -3.01 -0.06 0.00 -1.01 0.00 0.00 37.83 33.75 1zrp s LYS 2 CO 0.00 0.64 -0.01 -1.58 0.51 0.00 0.00 175.35 174.92 1zrp s TRP 3 N -0.68 2.50 0.06 3.18 0.52 0.18 -2.06 118.94 122.64 1zrp s TRP 3 Ca 0.12 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.71 1zrp s TRP 3 Cb -0.12 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1zrp s TRP 3 CO 0.02 0.47 -0.05 0.54 0.02 0.00 0.00 176.95 177.95 1zrp s VAL 4 N -2.61 0.42 -0.28 4.03 0.11 0.19 -0.08 120.40 122.19 1zrp s VAL 4 Ca 0.35 -1.50 -0.25 0.00 -2.93 0.00 0.00 61.98 57.65 1zrp s VAL 4 Cb 0.04 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1zrp s VAL 4 CO 0.18 -0.71 0.88 0.00 -3.33 0.00 0.00 175.10 172.12 1zrp n LYS 6 N 6.29 2.45 0.00 0.00 4.76 -0.89 -1.56 118.16 129.21 1zrp n LYS 6 Ca 0.07 -1.33 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 1zrp n LYS 6 Cb 0.47 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1zrp n LYS 6 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1zrp n ILE 7 N 0.33 0.00 0.06 -0.18 -0.00 -1.26 -4.89 119.36 113.42 1zrp n ILE 7 Ca 0.12 0.02 -0.08 0.00 -0.00 0.00 0.00 62.75 62.81 1zrp n ILE 7 Cb 0.55 -0.98 -0.12 0.00 -0.00 0.00 0.00 39.64 39.09 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 1.37 1.06 3.75 0.00 0.00 -0.60 -5.08 105.19 105.69 1zrp n GLY 9 Ca -0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 2.32 -0.03 1.61 5.04 -1.26 -4.79 117.35 118.24 1zrp s TYR 10 Ca 0.00 0.87 -0.03 0.00 -2.44 0.00 0.00 57.07 55.47 1zrp s TYR 10 Cb 0.00 -3.37 0.01 0.00 0.35 0.00 0.00 41.96 38.95 1zrp s TYR 10 CO 0.00 -2.59 0.08 0.42 -1.34 0.00 0.00 175.55 172.13 1zrp s ILE 11 N -3.19 -0.00 -0.08 3.14 1.09 -1.26 0.58 121.20 121.48 1zrp s ILE 11 Ca 0.65 0.01 -0.03 0.00 -1.10 0.00 0.00 60.65 60.17 1zrp s ILE 11 Cb -0.16 -0.13 -0.04 0.00 -1.06 0.00 0.00 42.46 41.08 1zrp s ILE 11 CO 0.55 0.00 0.07 -0.47 -0.10 0.00 0.00 174.94 174.99 1zrp s TYR 12 N 0.08 3.34 -0.26 3.97 5.04 0.89 -4.95 117.35 125.46 1zrp s TYR 12 Ca -0.00 0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 1zrp s TYR 12 Cb -0.01 -1.83 0.07 0.00 0.35 0.00 0.00 41.96 40.54 1zrp s TYR 12 CO -0.00 0.58 -0.03 0.34 -1.34 0.00 0.00 175.55 175.10 1zrp s ASP 13 N -1.12 4.05 0.50 4.32 2.15 -1.26 0.49 116.67 125.80 1zrp s ASP 13 Ca 0.16 -1.38 0.34 0.00 0.43 0.00 0.00 52.55 52.10 1zrp s ASP 13 Cb -0.12 -1.24 1.76 0.00 -0.30 0.00 0.00 42.92 43.03 1zrp s ASP 13 CO 0.05 -0.27 2.03 -0.33 -0.17 0.00 0.00 175.17 176.49 1zrp h GLU 14 N 7.90 0.00 0.00 4.34 5.08 -1.53 0.70 114.58 131.07 1zrp h GLU 14 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1zrp h GLU 14 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1zrp h GLU 14 CO 0.44 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.98 1zrp n ASP 15 N -2.73 0.00 0.17 1.42 2.03 -1.26 -0.93 116.55 115.25 1zrp n ASP 15 Ca -0.02 0.59 0.11 0.00 0.52 0.00 0.00 54.79 56.00 1zrp n ASP 15 Cb 0.10 -0.12 0.60 0.00 -0.72 0.00 0.00 41.12 40.98 1zrp n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zrp n ALA 16 N -0.85 1.07 -0.93 -1.67 0.00 0.20 -3.58 120.51 114.75 1zrp n ALA 16 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1zrp n ALA 16 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.25 0.92 2.72 0.00 0.00 0.13 -4.32 105.19 103.39 1zrp n GLY 17 Ca -0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.75 -2.14 0.31 1.61 2.03 -0.83 -4.53 116.55 110.25 1zrp n ASP 18 Ca 0.00 -3.20 0.13 0.00 0.52 0.00 0.00 54.79 52.24 1zrp n ASP 18 Cb 0.00 1.60 0.70 0.00 -0.72 0.00 0.00 41.12 42.70 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 2.62 0.00 -0.28 -0.67 0.13 -0.31 0.28 132.00 133.77 1zrp h PRO 19 Ca -0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1zrp h PRO 19 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1zrp h PRO 19 CO 0.06 0.00 0.11 -0.44 -0.23 0.00 0.00 178.00 177.50 1zrp h ASP 20 N 0.00 0.34 0.00 1.44 5.19 -1.93 -2.47 116.42 118.98 1zrp h ASP 20 Ca 0.00 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 1zrp h ASP 20 Cb 0.72 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.08 1zrp h ASP 20 CO 0.00 0.31 -0.40 0.59 -3.12 0.00 0.00 179.24 176.62 1zrp n ASN 21 N -4.42 1.34 -0.51 6.45 3.02 0.09 -4.97 115.26 116.25 1zrp n ASN 21 Ca 0.01 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1zrp n ASN 21 Cb 0.13 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.67 0.75 3.26 7.41 0.00 -0.66 -5.09 105.19 110.20 1zrp n GLY 22 Ca 0.10 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.60 1.98 0.08 -0.61 1.09 0.75 -4.90 121.20 116.99 1zrp s ILE 23 Ca 0.00 -1.04 -0.12 0.00 -1.10 0.00 0.00 60.65 58.39 1zrp s ILE 23 Cb 0.00 -1.67 -0.06 0.00 -1.06 0.00 0.00 42.46 39.67 1zrp s ILE 23 CO 0.00 0.55 0.44 -0.44 -0.10 0.00 0.00 174.94 175.39 1zrp s SER 24 N -0.24 6.72 -0.84 3.58 0.01 -1.26 0.41 113.70 122.08 1zrp s SER 24 Ca -0.01 0.90 -0.22 0.00 1.31 0.00 0.00 55.95 57.93 1zrp s SER 24 Cb -0.13 -2.22 -0.19 0.00 0.21 0.00 0.00 66.02 63.69 1zrp s SER 24 CO 0.03 0.19 2.34 -0.81 0.41 0.00 0.00 173.24 175.39 1zrp n PRO 25 N 1.08 0.41 0.00 12.44 -0.04 -1.26 -1.03 135.00 146.60 1zrp n PRO 25 Ca -0.09 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1zrp n PRO 25 Cb 0.52 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 6.47 0.66 3.86 0.55 0.00 -0.10 -4.92 105.19 111.71 1zrp n GLY 26 Ca 0.52 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.73 4.75 0.46 2.61 2.01 -0.20 -5.03 115.64 119.50 1zrp s THR 27 Ca 0.00 0.82 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1zrp s THR 27 Cb 0.00 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.90 1zrp s THR 27 CO 0.00 -0.16 0.66 -0.54 -0.69 0.00 0.00 174.62 173.89 1zrp s LYS 28 N -2.96 2.94 0.02 4.92 1.02 -1.26 -4.64 119.74 119.78 1zrp s LYS 28 Ca 0.52 -0.67 -0.14 0.00 0.02 0.00 0.00 55.97 55.71 1zrp s LYS 28 Cb -0.10 -2.59 -0.08 0.00 -0.52 0.00 0.00 37.83 34.54 1zrp s LYS 28 CO 0.19 -0.33 1.12 0.35 -0.92 0.00 0.00 175.35 175.76 1zrp h PHE 29 N 0.40 -0.46 0.00 3.18 3.57 -1.98 -0.21 116.94 121.45 1zrp h PHE 29 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1zrp h PHE 29 Cb 1.26 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1zrp h PHE 29 CO 0.43 -0.29 0.00 0.39 -2.23 0.00 0.00 178.31 176.61 1zrp n GLU 30 N -3.43 0.95 -0.84 1.11 1.02 -1.26 0.14 120.64 118.33 1zrp n GLU 30 Ca -0.06 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1zrp n GLU 30 Cb 0.20 -1.15 0.37 0.00 -0.02 0.00 0.00 31.44 30.84 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 4.43 -2.52 3.49 4.07 -0.21 -4.93 120.64 124.32 1zrp n GLU 31 Ca 0.07 -3.11 -0.23 0.00 -0.06 0.00 0.00 57.16 53.82 1zrp n GLU 31 Cb 0.03 -2.19 0.04 0.00 -0.06 0.00 0.00 31.44 29.26 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 -2.82 3.17 0.67 4.31 1.43 0.12 -4.50 118.68 121.06 1zrp s LEU 32 Ca 0.53 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.69 1zrp s LEU 32 Cb 0.41 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1zrp s LEU 32 CO 0.14 -1.23 0.84 -0.81 0.23 0.00 0.00 176.35 175.52 1zrp n PRO 33 N -2.52 0.59 -0.28 1.29 -0.04 -1.26 -4.92 135.00 127.86 1zrp n PRO 33 Ca 0.07 0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.73 1zrp n PRO 33 Cb 0.59 -2.08 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.01 0.92 -0.41 3.54 5.19 -1.97 -2.20 116.42 121.49 1zrp h ASP 34 Ca -0.47 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1zrp h ASP 34 Cb 1.35 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.63 1zrp h ASP 34 CO 0.47 0.72 0.00 0.47 -3.12 0.00 0.00 179.24 177.78 1zrp n ASP 35 N -4.49 4.36 -4.59 6.45 9.92 -1.26 -4.79 116.55 122.14 1zrp n ASP 35 Ca 0.07 -2.66 -0.43 0.00 -0.53 0.00 0.00 54.79 51.24 1zrp n ASP 35 Cb 0.06 -0.63 -0.02 0.00 -0.64 0.00 0.00 41.12 39.88 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1zrp s TRP 36 N -2.25 2.17 0.37 1.24 -0.00 -0.83 -4.99 118.94 114.65 1zrp s TRP 36 Ca 0.39 0.64 0.01 0.00 -0.00 0.00 0.00 56.10 57.14 1zrp s TRP 36 Cb 0.30 -4.26 0.01 0.00 -0.00 0.00 0.00 33.47 29.52 1zrp s TRP 36 CO 0.11 -2.30 0.08 1.33 -0.00 0.00 0.00 176.95 176.17 1zrp n VAL 37 N 7.17 0.00 -1.89 5.86 0.24 -1.26 -2.03 118.33 126.42 1zrp n VAL 37 Ca 0.18 -1.69 -0.42 0.00 -2.04 0.00 0.00 64.34 60.37 1zrp n VAL 37 Cb 0.48 0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 33.03 1zrp n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1zrp n PRO 39 N 5.31 0.08 0.00 0.00 -0.04 -1.26 -1.63 135.00 137.46 1zrp n PRO 39 Ca 0.16 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1zrp n PRO 39 Cb 0.40 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1zrp n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1zrp n ILE 40 N -1.93 0.00 0.20 0.52 -0.00 -1.26 -4.84 119.36 112.05 1zrp n ILE 40 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 62.85 1zrp n ILE 40 Cb 0.04 -0.85 0.14 0.00 -0.00 0.00 0.00 39.64 38.97 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 1.12 0.66 3.57 0.00 0.00 -0.65 -4.99 105.19 104.91 1zrp n GLY 42 Ca 0.03 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 3.32 0.90 4.61 0.00 -1.26 -4.54 121.76 122.78 1zrp s ALA 43 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.08 1zrp s ALA 43 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1zrp s ALA 43 CO 0.00 -1.84 -0.10 -2.30 0.00 0.00 0.00 175.76 171.53 1zrp n PRO 44 N 6.88 -0.07 0.04 0.00 -0.02 -1.26 -0.85 135.00 139.72 1zrp n PRO 44 Ca 0.05 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.57 1zrp n PRO 44 Cb 0.48 -1.45 0.16 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 0.34 0.03 0.33 -0.52 2.85 -0.86 0.50 118.16 120.84 1zrp n LYS 45 Ca 0.04 0.51 0.22 0.00 -1.05 0.00 0.00 58.31 58.03 1zrp n LYS 45 Cb 0.53 -1.61 1.16 0.00 -0.65 0.00 0.00 35.03 34.46 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 -0.42 -5.58 4.64 -1.87 -1.46 113.55 108.86 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 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 -3.15 3.64 -3.86 4.77 -0.58 0.18 -4.91 120.64 116.74 1zrp n GLU 47 Ca -0.03 -2.87 -0.36 0.00 -0.42 0.00 0.00 57.16 53.48 1zrp n GLU 47 Cb 0.09 -1.92 -0.13 0.00 -0.57 0.00 0.00 31.44 28.90 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 -2.48 3.17 0.71 -0.32 0.40 -0.55 -2.09 117.98 116.83 1zrp s PHE 48 Ca 0.46 -1.47 -0.11 0.00 -0.60 0.00 0.00 56.93 55.20 1zrp s PHE 48 Cb 0.34 -2.16 0.02 0.00 0.51 0.00 0.00 43.02 41.73 1zrp s PHE 48 CO 0.14 -0.71 1.08 -2.00 0.70 0.00 0.00 175.22 174.43 1zrp s GLU 49 N 1.36 2.81 0.29 0.44 2.56 0.20 -4.82 118.70 121.55 1zrp s GLU 49 Ca -0.01 0.65 0.04 0.00 0.00 0.00 0.00 54.97 55.65 1zrp s GLU 49 Cb -0.18 -2.00 -0.03 0.00 2.00 0.00 0.00 34.13 33.92 1zrp s GLU 49 CO -0.00 -1.11 0.44 0.15 -0.56 0.00 0.00 175.26 174.18 1zrp s LYS 50 N -5.22 3.38 -0.50 4.30 1.02 -1.26 0.55 119.74 122.01 1zrp s LYS 50 Ca 0.58 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.90 1zrp s LYS 50 Cb -0.12 -2.80 0.44 0.00 -0.52 0.00 0.00 37.83 34.83 1zrp s LYS 50 CO 0.53 0.26 1.94 -0.11 -0.92 0.00 0.00 175.35 177.06 1zrp n LEU 51 N -1.58 6.93 -2.50 3.17 7.94 -0.87 -4.83 117.00 125.26 1zrp n LEU 51 Ca -0.06 -3.74 -0.03 0.00 -1.11 0.00 0.00 56.01 51.07 1zrp n LEU 51 Cb 0.57 -0.93 -0.02 0.00 0.53 0.00 0.00 43.42 43.57 1zrp n LEU 51 CO 0.46 1.25 -0.53 -0.62 -1.11 0.00 0.00 177.39 176.83 1zrp n GLU 52 N -0.66 -4.50 0.00 1.96 -0.58 -1.26 -4.93 120.64 110.66 1zrp n GLU 52 Ca 0.52 3.34 0.00 0.00 -0.42 0.00 0.00 57.16 60.60 1zrp n GLU 52 Cb 0.94 -4.50 0.00 0.00 -0.57 0.00 0.00 31.44 27.31 1zrp n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18