#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 2.60 0.17 0.00 -0.14 -1.26 -2.11 119.74 119.00 1zrp s LYS 2 Ca 0.00 -0.69 0.11 0.00 -1.36 0.00 0.00 55.97 54.03 1zrp s LYS 2 Cb 0.00 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1zrp s LYS 2 CO 0.00 0.58 -0.25 -1.58 -0.76 0.00 0.00 175.35 173.34 1zrp s TRP 3 N -0.62 2.32 0.24 3.18 0.52 0.65 -1.43 118.94 123.81 1zrp s TRP 3 Ca 0.09 -0.36 0.12 0.00 0.02 0.00 0.00 56.10 55.97 1zrp s TRP 3 Cb -0.11 -1.19 -0.05 0.00 -1.15 0.00 0.00 33.47 30.97 1zrp s TRP 3 CO 0.01 0.44 -0.22 0.54 0.02 0.00 0.00 176.95 177.74 1zrp s VAL 4 N -1.43 2.41 -0.28 4.03 0.11 0.16 0.58 120.40 125.98 1zrp s VAL 4 Ca 0.18 -2.24 -0.23 0.00 -2.93 0.00 0.00 61.98 56.76 1zrp s VAL 4 Cb -0.09 -2.22 -0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1zrp s VAL 4 CO 0.09 -0.28 0.77 0.00 -3.33 0.00 0.00 175.10 172.35 1zrp n LYS 6 N 6.09 2.28 0.00 0.00 4.81 -0.90 -1.56 118.16 128.88 1zrp n LYS 6 Ca 0.03 -1.21 0.00 0.00 -0.87 0.00 0.00 58.31 56.26 1zrp n LYS 6 Cb 0.48 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.92 1zrp n LYS 6 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1zrp n ILE 7 N 0.30 0.00 0.06 3.15 -0.00 -1.26 -4.89 119.36 116.71 1zrp n ILE 7 Ca 0.11 0.10 -0.14 0.00 -0.00 0.00 0.00 62.75 62.82 1zrp n ILE 7 Cb 0.50 -1.10 -0.14 0.00 -0.00 0.00 0.00 39.64 38.91 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 1.58 1.79 3.76 0.00 0.00 -0.60 -5.08 105.19 106.64 1zrp n GLY 9 Ca -0.12 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.01 3.70 -0.10 1.61 5.04 -1.26 -4.83 117.35 119.51 1zrp s TYR 10 Ca 0.00 1.27 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 1zrp s TYR 10 Cb 0.00 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.61 1zrp s TYR 10 CO 0.00 0.33 0.05 0.42 -1.34 0.00 0.00 175.55 175.02 1zrp s ILE 11 N -0.17 4.76 -0.18 3.14 -1.09 -1.26 0.59 121.20 126.99 1zrp s ILE 11 Ca 0.33 -0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.58 1zrp s ILE 11 Cb -0.19 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1zrp s ILE 11 CO 0.19 0.61 0.14 -0.47 -1.23 0.00 0.00 174.94 174.17 1zrp s TYR 12 N -0.94 3.45 -0.26 3.97 5.04 0.20 -4.97 117.35 123.84 1zrp s TYR 12 Ca 0.14 0.38 -0.01 0.00 -2.44 0.00 0.00 57.07 55.14 1zrp s TYR 12 Cb -0.12 -2.12 0.04 0.00 0.35 0.00 0.00 41.96 40.11 1zrp s TYR 12 CO 0.03 0.38 -0.07 0.34 -1.34 0.00 0.00 175.55 174.89 1zrp s ASP 13 N 0.09 4.39 0.38 4.32 2.15 -1.26 -0.25 116.67 126.49 1zrp s ASP 13 Ca 0.10 -1.05 0.10 0.00 0.43 0.00 0.00 52.55 52.13 1zrp s ASP 13 Cb -0.11 -1.64 0.75 0.00 -0.30 0.00 0.00 42.92 41.62 1zrp s ASP 13 CO -0.01 -0.16 1.88 -0.33 -0.17 0.00 0.00 175.17 176.38 1zrp h GLU 14 N 7.96 0.17 -0.24 4.34 5.08 -1.69 0.49 114.58 130.69 1zrp h GLU 14 Ca -0.28 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1zrp h GLU 14 Cb 1.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1zrp h GLU 14 CO 0.55 0.39 -0.01 0.22 -1.00 0.00 0.00 179.01 179.16 1zrp h ASP 15 N 0.16 0.33 0.00 1.42 3.58 -1.87 0.11 116.42 120.15 1zrp h ASP 15 Ca 0.03 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1zrp h ASP 15 Cb 0.48 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1zrp h ASP 15 CO 0.03 0.40 -1.67 0.00 -2.88 0.00 0.00 179.24 175.12 1zrp n ALA 16 N -2.49 3.11 -0.30 -0.78 0.00 -0.41 -4.20 120.51 115.44 1zrp n ALA 16 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 52.98 1zrp n ALA 16 Cb 0.21 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.40 -1.89 2.67 0.00 0.00 0.16 -4.19 105.19 103.34 1zrp n GLY 17 Ca -0.02 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.57 1.75 0.27 1.61 2.03 -0.74 -4.62 116.55 116.28 1zrp n ASP 18 Ca 0.00 -2.68 0.09 0.00 0.52 0.00 0.00 54.79 52.73 1zrp n ASP 18 Cb 0.05 -0.51 0.51 0.00 -0.72 0.00 0.00 41.12 40.44 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 2.89 0.00 0.00 -0.67 0.11 -0.76 0.40 132.00 133.97 1zrp h PRO 19 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1zrp h PRO 19 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1zrp h PRO 19 CO 0.47 0.00 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.79 1zrp h ASP 20 N 0.00 0.00 0.00 -2.05 5.19 -1.92 -2.48 116.42 115.16 1zrp h ASP 20 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1zrp h ASP 20 Cb 0.89 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 1zrp h ASP 20 CO 0.00 0.03 -0.45 0.59 -3.12 0.00 0.00 179.24 176.29 1zrp n ASN 21 N -3.85 0.57 -0.56 6.45 3.02 0.13 -4.99 115.26 116.03 1zrp n ASN 21 Ca -0.03 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 1zrp n ASN 21 Cb 0.12 -0.26 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 -0.26 0.63 3.17 7.41 0.00 -0.76 -5.08 105.19 110.31 1zrp n GLY 22 Ca 0.04 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.46 1.68 0.07 -0.61 1.09 -0.48 -4.89 121.20 115.60 1zrp s ILE 23 Ca 0.00 -0.84 -0.13 0.00 -1.10 0.00 0.00 60.65 58.58 1zrp s ILE 23 Cb 0.00 -1.45 -0.06 0.00 -1.06 0.00 0.00 42.46 39.89 1zrp s ILE 23 CO 0.00 0.48 0.46 -0.55 -0.10 0.00 0.00 174.94 175.22 1zrp s SER 24 N 0.11 6.78 -0.87 3.58 0.15 -1.26 -0.07 113.70 122.13 1zrp s SER 24 Ca -0.08 0.97 -0.19 0.00 0.70 0.00 0.00 55.95 57.34 1zrp s SER 24 Cb -0.14 -2.25 -0.22 0.00 -1.71 0.00 0.00 66.02 61.71 1zrp s SER 24 CO 0.04 0.21 2.32 -0.81 1.20 0.00 0.00 173.24 176.20 1zrp n PRO 25 N 1.24 0.34 0.00 5.44 -0.04 -1.26 -0.81 135.00 139.92 1zrp n PRO 25 Ca -0.09 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1zrp n PRO 25 Cb 0.52 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 6.28 0.71 3.85 0.55 0.00 0.39 -4.90 105.19 112.06 1zrp n GLY 26 Ca 0.55 0.00 -0.36 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 -0.77 4.95 0.37 2.61 2.01 0.01 -5.02 115.64 119.79 1zrp s THR 27 Ca 0.00 0.76 0.04 0.00 0.31 0.00 0.00 61.69 62.80 1zrp s THR 27 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1zrp s THR 27 CO 0.00 0.35 0.53 -0.54 -0.69 0.00 0.00 174.62 174.27 1zrp s LYS 28 N -1.70 3.11 0.03 4.92 1.02 -1.26 -4.65 119.74 121.21 1zrp s LYS 28 Ca 0.33 -0.82 -0.21 0.00 0.02 0.00 0.00 55.97 55.28 1zrp s LYS 28 Cb -0.15 -2.74 -0.12 0.00 -0.52 0.00 0.00 37.83 34.30 1zrp s LYS 28 CO 0.18 -0.03 1.24 0.35 -0.92 0.00 0.00 175.35 176.17 1zrp h PHE 29 N 0.74 -0.71 0.00 3.18 3.57 -1.98 -1.20 116.94 120.54 1zrp h PHE 29 Ca -0.46 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1zrp h PHE 29 Cb 1.25 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.23 1zrp h PHE 29 CO 0.43 -0.44 0.00 -1.91 -2.23 0.00 0.00 178.31 174.16 1zrp n GLU 30 N -4.19 0.95 -0.54 1.11 2.13 -1.26 0.59 120.64 119.43 1zrp n GLU 30 Ca -0.10 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.80 1zrp n GLU 30 Cb 0.30 -1.15 0.28 0.00 0.27 0.00 0.00 31.44 31.14 1zrp n GLU 30 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1zrp n GLU 31 N -0.65 3.11 -1.95 5.31 0.28 -0.53 -4.98 120.64 121.24 1zrp n GLU 31 Ca 0.07 -2.91 -0.28 0.00 -0.16 0.00 0.00 57.16 53.87 1zrp n GLU 31 Cb 0.03 -1.91 0.09 0.00 1.43 0.00 0.00 31.44 31.08 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1zrp s LEU 32 N -2.86 2.56 0.86 -1.84 1.43 0.20 -4.69 118.68 114.35 1zrp s LEU 32 Ca 0.44 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 54.10 1zrp s LEU 32 Cb 0.36 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1zrp s LEU 32 CO 0.09 -1.89 0.35 -2.65 0.23 0.00 0.00 176.35 172.49 1zrp n PRO 33 N -3.27 -0.04 -0.02 1.29 -0.02 -1.26 -4.90 135.00 126.78 1zrp n PRO 33 Ca 0.08 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1zrp n PRO 33 Cb 0.61 -1.77 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.06 0.16 -0.72 2.55 5.19 -1.99 -2.35 116.42 118.20 1zrp h ASP 34 Ca -0.44 -0.09 -0.28 0.00 -0.62 0.00 0.00 57.03 55.60 1zrp h ASP 34 Cb 1.31 -0.04 -0.16 0.00 0.18 0.00 0.00 39.33 40.61 1zrp h ASP 34 CO 0.37 0.20 0.31 0.47 -3.12 0.00 0.00 179.24 177.47 1zrp n ASP 35 N -4.95 4.20 -4.58 6.45 9.92 -1.26 -4.98 116.55 121.35 1zrp n ASP 35 Ca -0.05 -3.38 -0.41 0.00 -0.53 0.00 0.00 54.79 50.42 1zrp n ASP 35 Cb 0.07 -0.74 -0.03 0.00 -0.64 0.00 0.00 41.12 39.78 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 -3.10 1.26 0.51 1.24 -0.00 -0.89 -4.86 118.94 113.10 1zrp s TRP 36 Ca 0.53 0.83 0.05 0.00 -0.00 0.00 0.00 56.10 57.52 1zrp s TRP 36 Cb 0.44 -3.87 0.01 0.00 -0.00 0.00 0.00 33.47 30.05 1zrp s TRP 36 CO 0.11 -3.42 0.32 0.14 -0.00 0.00 0.00 176.95 174.10 1zrp s VAL 37 N 9.17 1.80 0.05 5.86 -7.23 -1.26 -1.65 120.40 127.14 1zrp s VAL 37 Ca 0.95 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1zrp s VAL 37 Cb -0.26 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.23 1zrp s VAL 37 CO 0.32 0.00 1.76 0.00 -0.31 0.00 0.00 175.10 176.86 1zrp h PRO 39 N 9.10 0.00 0.00 0.00 0.11 -1.97 -1.76 132.00 137.48 1zrp h PRO 39 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1zrp h PRO 39 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1zrp h PRO 39 CO 0.94 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.84 1zrp n ILE 40 N -3.68 0.00 0.21 4.15 -0.00 -1.26 -4.83 119.36 113.95 1zrp n ILE 40 Ca 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.98 1zrp n ILE 40 Cb 0.83 -0.79 0.17 0.00 -0.00 0.00 0.00 39.64 39.85 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 1.08 0.74 3.53 0.00 0.00 -0.66 -5.00 105.19 104.88 1zrp n GLY 42 Ca 0.04 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 3.35 0.93 4.61 0.00 -1.26 -4.58 121.76 122.82 1zrp s ALA 43 Ca 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 1zrp s ALA 43 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1zrp s ALA 43 CO 0.00 -1.76 -0.08 -2.30 0.00 0.00 0.00 175.76 171.62 1zrp n PRO 44 N 6.30 -0.12 0.10 0.00 -0.02 -1.26 -1.13 135.00 138.88 1zrp n PRO 44 Ca -0.01 -0.01 0.07 0.00 -2.02 0.00 0.00 63.50 61.53 1zrp n PRO 44 Cb 0.48 -1.49 0.38 0.00 -0.02 0.00 0.00 33.50 32.85 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 0.14 0.09 0.31 -0.52 0.00 -0.66 -1.97 118.16 115.55 1zrp n LYS 45 Ca 0.04 0.57 0.19 0.00 -0.00 0.00 0.00 58.31 59.10 1zrp n LYS 45 Cb 0.54 -1.79 1.01 0.00 -0.00 0.00 0.00 35.03 34.80 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1zrp h SER 46 N 0.00 0.00 -0.13 -5.58 4.64 -1.87 0.91 113.55 111.53 1zrp h SER 46 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1zrp h SER 46 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1zrp h SER 46 CO 0.00 0.02 -0.21 -0.62 -0.87 0.00 0.00 176.83 175.15 1zrp n GLU 47 N -3.40 1.75 -3.37 4.77 1.02 -0.83 -4.87 120.64 115.70 1zrp n GLU 47 Ca -0.03 -3.06 -0.43 0.00 -0.02 0.00 0.00 57.16 53.63 1zrp n GLU 47 Cb 0.12 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 29.78 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 -3.11 3.20 0.59 -0.32 0.40 0.31 -2.13 117.98 116.91 1zrp s PHE 48 Ca 0.39 -0.54 -0.16 0.00 -0.60 0.00 0.00 56.93 56.02 1zrp s PHE 48 Cb 0.36 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 1zrp s PHE 48 CO -0.01 -0.69 1.06 -2.00 0.70 0.00 0.00 175.22 174.28 1zrp s GLU 49 N 1.93 3.33 0.03 0.44 2.56 0.20 -4.81 118.70 122.38 1zrp s GLU 49 Ca 0.09 1.25 0.02 0.00 0.00 0.00 0.00 54.97 56.33 1zrp s GLU 49 Cb -0.19 -2.03 -0.04 0.00 2.00 0.00 0.00 34.13 33.87 1zrp s GLU 49 CO 0.11 -0.81 0.01 -1.59 -0.56 0.00 0.00 175.26 172.42 1zrp s LYS 50 N -3.96 2.75 -0.20 4.30 0.00 -1.26 0.38 119.74 121.75 1zrp s LYS 50 Ca 0.65 -0.66 0.12 0.00 0.00 0.00 0.00 55.97 56.07 1zrp s LYS 50 Cb -0.17 -2.65 0.41 0.00 0.00 0.00 0.00 37.83 35.42 1zrp s LYS 50 CO 0.35 0.60 1.21 -0.11 0.00 0.00 0.00 175.35 177.40 1zrp n LEU 51 N 1.11 2.63 0.00 2.77 0.00 -0.51 -4.89 117.00 118.11 1zrp n LEU 51 Ca -0.13 -3.78 0.00 0.00 0.00 0.00 0.00 56.01 52.10 1zrp n LEU 51 Cb 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 43.42 43.44 1zrp n LEU 51 CO 0.36 1.31 0.00 1.21 0.00 0.00 0.00 177.39 180.28 1zrp n GLU 52 N -1.12 1.35 0.00 1.96 0.00 -1.26 -4.79 120.64 116.79 1zrp n GLU 52 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.38 1zrp n GLU 52 Cb 0.69 0.00 0.03 0.00 0.00 0.00 0.00 31.44 32.17 1zrp n GLU 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88