#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pku s VAL 19 N 0.00 0.42 0.97 2.28 0.11 -0.53 -4.94 120.40 118.71 2pku s VAL 19 Ca 0.00 -1.27 -0.14 0.00 -2.93 0.00 0.00 61.98 57.65 2pku s VAL 19 Cb 0.00 -1.33 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2pku s VAL 19 CO 0.00 -0.76 0.19 -2.65 -3.33 0.00 0.00 175.10 168.55 2pku n PRO 20 N 4.80 -0.37 -3.64 1.54 -0.02 -1.26 -2.68 135.00 133.37 2pku n PRO 20 Ca -0.01 -0.07 -0.05 0.00 -2.02 0.00 0.00 63.50 61.34 2pku n PRO 20 Cb 0.41 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 2pku n PRO 20 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2pku s GLY 21 N -1.86 -0.18 -0.45 -1.23 0.00 0.24 -4.84 107.32 98.99 2pku s GLY 21 Ca 0.54 2.84 -0.05 0.00 0.00 0.00 0.00 44.72 48.06 2pku s GLY 21 CO 0.69 2.33 0.26 -1.59 0.00 0.00 0.00 173.10 174.80 2pku s LYS 22 N 1.07 2.18 -0.03 2.90 -2.85 -1.26 0.39 119.74 122.14 2pku s LYS 22 Ca -0.06 -1.87 -0.13 0.00 -1.00 0.00 0.00 55.97 52.91 2pku s LYS 22 Cb -0.04 -3.69 -0.05 0.00 -2.06 0.00 0.00 37.83 31.98 2pku s LYS 22 CO -0.13 -1.12 0.35 0.54 0.10 0.00 0.00 175.35 175.09 2pku s VAL 23 N 1.09 5.14 -0.74 1.79 0.11 -0.46 -4.89 120.40 122.45 2pku s VAL 23 Ca 0.08 0.70 -0.12 0.00 -2.93 0.00 0.00 61.98 59.72 2pku s VAL 23 Cb -0.23 -3.65 0.19 0.00 -1.53 0.00 0.00 36.38 31.16 2pku s VAL 23 CO -0.03 0.57 0.65 -0.89 -3.33 0.00 0.00 175.10 172.07 2pku s THR 24 N -0.96 5.12 0.60 5.04 2.01 -1.26 -1.11 115.64 125.08 2pku s THR 24 Ca 0.22 -2.43 -0.01 0.00 0.31 0.00 0.00 61.69 59.78 2pku s THR 24 Cb -0.16 -4.21 0.04 0.00 0.01 0.00 0.00 72.50 68.19 2pku s THR 24 CO 0.11 -0.97 0.85 -0.76 -0.69 0.00 0.00 174.62 173.16 2pku s LEU 25 N 0.33 3.12 0.31 4.42 1.43 0.17 -4.86 118.68 123.62 2pku s LEU 25 Ca 0.15 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.49 2pku s LEU 25 Cb -0.15 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 43.08 2pku s LEU 25 CO -0.06 -1.30 -0.11 -1.10 0.23 0.00 0.00 176.35 174.02 2pku s GLN 26 N -4.92 1.86 0.13 1.70 1.11 -1.26 0.11 119.66 118.38 2pku s GLN 26 Ca 0.58 -1.80 -0.28 0.00 0.01 0.00 0.00 55.36 53.88 2pku s GLN 26 Cb -0.10 -1.81 -0.07 0.00 -1.01 0.00 0.00 33.01 30.02 2pku s GLN 26 CO 0.40 0.23 0.87 0.15 0.01 0.00 0.00 175.29 176.96 2pku s LYS 27 N -3.60 4.65 0.63 2.91 -0.14 -1.11 -4.45 119.74 118.63 2pku s LYS 27 Ca 0.32 1.31 -0.11 0.00 -1.36 0.00 0.00 55.97 56.13 2pku s LYS 27 Cb -0.02 -3.33 0.15 0.00 -1.68 0.00 0.00 37.83 32.95 2pku s LYS 27 CO 0.17 0.35 0.75 -3.47 -0.76 0.00 0.00 175.35 172.39 2pku n ASP 28 N 2.34 -0.46 0.25 2.83 2.03 -1.24 -4.81 116.55 117.49 2pku n ASP 28 Ca -0.01 -1.17 0.12 0.00 0.52 0.00 0.00 54.79 54.25 2pku n ASP 28 Cb 0.49 -0.60 0.74 0.00 -0.72 0.00 0.00 41.12 41.03 2pku n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pku h ALA 29 N -2.05 1.88 -0.58 -1.67 0.00 -1.97 0.03 119.26 114.90 2pku h ALA 29 Ca -0.25 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2pku h ALA 29 Cb 0.72 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2pku h ALA 29 CO 0.17 -0.07 0.10 0.00 0.00 0.00 0.00 179.25 179.46 2pku n GLN 30 N -4.27 4.10 -3.36 0.00 10.64 -1.26 -4.90 117.38 118.33 2pku n GLN 30 Ca -0.02 -2.80 -0.24 0.00 -1.83 0.00 0.00 57.00 52.11 2pku n GLN 30 Cb 0.14 -2.17 0.02 0.00 -0.86 0.00 0.00 30.24 27.37 2pku n GLN 30 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2pku n ASN 31 N 0.30 -4.91 -3.59 2.61 5.15 -0.00 -4.96 115.26 109.86 2pku n ASN 31 Ca 0.30 -0.43 -0.17 0.00 -0.60 0.00 0.00 54.58 53.67 2pku n ASN 31 Cb 1.18 -3.98 -0.14 0.00 -0.53 0.00 0.00 39.78 36.30 2pku n ASN 31 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2pku s LEU 32 N -6.75 -0.10 0.59 1.20 1.43 -1.26 -4.78 118.68 109.01 2pku s LEU 32 Ca 0.43 0.09 0.29 0.00 -1.03 0.00 0.00 54.13 53.91 2pku s LEU 32 Cb -0.21 0.35 1.81 0.00 0.03 0.00 0.00 46.19 48.17 2pku s LEU 32 CO 0.53 -0.28 2.25 0.16 0.23 0.00 0.00 176.35 179.24 2pku h ILE 33 N 6.34 0.54 -1.79 -0.59 3.07 -1.92 -3.28 117.51 119.87 2pku h ILE 33 Ca -0.15 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.26 2pku h ILE 33 Cb 1.13 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2pku h ILE 33 CO 0.21 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 2pku n GLY 34 N -1.33 0.15 3.16 0.16 0.00 -1.26 -2.37 105.19 103.70 2pku n GLY 34 Ca -0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 2pku n GLY 34 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pku s ILE 35 N -2.59 0.03 0.13 -0.61 -4.36 -1.26 -4.07 121.20 108.48 2pku s ILE 35 Ca 0.00 -0.28 0.07 0.00 -0.26 0.00 0.00 60.65 60.18 2pku s ILE 35 Cb 0.00 -0.44 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 2pku s ILE 35 CO 0.00 -0.15 -0.07 -0.55 0.24 0.00 0.00 174.94 174.40 2pku s SER 36 N -0.58 4.50 0.07 4.36 0.15 -1.25 -5.01 113.70 115.93 2pku s SER 36 Ca -0.07 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.12 2pku s SER 36 Cb -0.04 -0.88 -0.02 0.00 -1.71 0.00 0.00 66.02 63.37 2pku s SER 36 CO 0.02 0.15 0.10 0.27 1.20 0.00 0.00 173.24 174.97 2pku s ILE 37 N -1.42 0.17 -0.20 6.45 -5.25 -1.26 0.12 121.20 119.82 2pku s ILE 37 Ca 0.24 -1.38 -0.06 0.00 -0.99 0.00 0.00 60.65 58.45 2pku s ILE 37 Cb -0.10 -1.33 0.09 0.00 2.95 0.00 0.00 42.46 44.07 2pku s ILE 37 CO 0.15 -0.76 0.40 -0.83 -1.79 0.00 0.00 174.94 172.11 2pku s GLY 38 N -2.76 -0.34 0.09 6.27 0.00 -0.15 -4.86 107.32 105.56 2pku s GLY 38 Ca 0.04 1.38 -0.27 0.00 0.00 0.00 0.00 44.72 45.87 2pku s GLY 38 CO -0.10 2.39 1.07 -0.32 0.00 0.00 0.00 173.10 176.15 2pku s GLY 39 N 2.59 -0.30 0.00 0.20 0.00 -1.26 -1.91 107.32 106.64 2pku s GLY 39 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2pku s GLY 39 CO -0.13 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.64 2pku n GLY 40 N -0.47 1.15 0.23 0.20 0.00 0.29 -3.72 105.19 102.88 2pku n GLY 40 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2pku n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pku n ALA 41 N -3.00 0.00 -0.03 4.61 0.00 -0.85 -3.94 120.51 117.30 2pku n ALA 41 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2pku n ALA 41 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2pku n ALA 41 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2pku h GLN 42 N 0.00 0.34 0.00 0.00 4.15 -1.98 -3.37 115.11 114.25 2pku h GLN 42 Ca 0.00 -0.29 -0.10 0.00 0.77 0.00 0.00 58.65 59.03 2pku h GLN 42 Cb 0.00 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 2pku h GLN 42 CO 0.00 0.94 -1.38 2.48 -1.93 0.00 0.00 178.83 178.94 2pku n TYR 43 N -4.40 0.00 -3.70 3.99 4.11 -1.26 -4.85 117.16 111.05 2pku n TYR 43 Ca -0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.49 2pku n TYR 43 Cb 0.52 -0.26 -0.08 0.00 -0.00 0.00 0.00 39.34 39.52 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2pku h PRO 45 N 5.54 0.69 -6.00 0.00 0.13 -1.78 0.86 132.00 131.45 2pku h PRO 45 Ca 0.16 -0.47 -0.55 0.00 -0.87 0.00 0.00 66.00 64.27 2pku h PRO 45 Cb 0.76 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2pku h PRO 45 CO 0.82 1.09 1.45 0.00 -0.23 0.00 0.00 178.00 181.13 2pku s LEU 47 N 8.70 4.49 0.47 0.00 2.01 -1.26 -4.73 118.68 128.36 2pku s LEU 47 Ca 0.91 2.30 0.07 0.00 0.01 0.00 0.00 54.13 57.43 2pku s LEU 47 Cb -0.25 -3.62 0.01 0.00 0.01 0.00 0.00 46.19 42.34 2pku s LEU 47 CO 0.32 -0.30 0.46 -0.47 1.01 0.00 0.00 176.35 177.37 2pku s TYR 48 N -0.63 2.24 0.20 0.29 5.04 -0.80 -3.55 117.35 120.14 2pku s TYR 48 Ca 0.49 -0.61 0.10 0.00 -2.44 0.00 0.00 57.07 54.61 2pku s TYR 48 Cb -0.33 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 39.81 2pku s TYR 48 CO 0.40 -0.39 -0.12 0.42 -1.34 0.00 0.00 175.55 174.52 2pku s ILE 49 N -2.57 3.02 0.26 3.14 1.01 -1.21 -0.98 121.20 123.87 2pku s ILE 49 Ca 0.47 -1.82 0.03 0.00 0.00 0.00 0.00 60.65 59.33 2pku s ILE 49 Cb -0.04 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 2pku s ILE 49 CO 0.28 -0.17 0.04 -0.69 0.00 0.00 0.00 174.94 174.40 2pku s VAL 50 N -1.85 0.95 0.13 2.92 1.01 0.12 -4.09 120.40 119.59 2pku s VAL 50 Ca 0.25 -2.02 -0.34 0.00 0.00 0.00 0.00 61.98 59.88 2pku s VAL 50 Cb -0.08 -2.53 -0.17 0.00 0.00 0.00 0.00 36.38 33.61 2pku s VAL 50 CO 0.15 -0.17 1.06 0.00 0.00 0.00 0.00 175.10 176.14 2pku n GLN 51 N -0.49 0.72 -1.96 2.72 10.64 -1.26 -3.06 117.38 124.69 2pku n GLN 51 Ca -0.03 0.26 -0.23 0.00 -1.83 0.00 0.00 57.00 55.17 2pku n GLN 51 Cb 0.65 -1.69 0.14 0.00 -0.86 0.00 0.00 30.24 28.48 2pku n GLN 51 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 2pku n VAL 52 N 1.34 0.00 -4.34 -0.39 0.24 -1.26 -4.36 118.33 109.56 2pku n VAL 52 Ca 0.17 -1.09 -0.33 0.00 -2.04 0.00 0.00 64.34 61.04 2pku n VAL 52 Cb 0.20 -1.29 -0.09 0.00 -1.47 0.00 0.00 33.84 31.20 2pku n VAL 52 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2pku s PHE 53 N -3.11 3.09 0.88 6.34 0.40 -1.26 -5.03 117.98 119.29 2pku s PHE 53 Ca 0.62 0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.95 2pku s PHE 53 Cb -0.02 -1.71 0.13 0.00 0.51 0.00 0.00 43.02 41.92 2pku s PHE 53 CO 0.42 0.45 1.16 -0.51 0.70 0.00 0.00 175.22 177.44 2pku s ASP 54 N -1.29 3.17 -1.22 1.36 1.01 -1.26 -3.02 116.67 115.42 2pku s ASP 54 Ca 0.17 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.64 2pku s ASP 54 Cb -0.11 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2pku s ASP 54 CO 0.07 -2.94 0.00 0.59 0.21 0.00 0.00 175.17 173.10 2pku n ASN 55 N -3.97 -4.77 -4.69 0.27 3.02 -1.26 -5.00 115.26 98.86 2pku n ASN 55 Ca 0.12 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.65 2pku n ASN 55 Cb 0.52 -3.28 -0.08 0.00 -0.61 0.00 0.00 39.78 36.33 2pku n ASN 55 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2pku s THR 56 N -2.30 4.05 0.52 3.41 -4.23 -1.17 -4.98 115.64 110.94 2pku s THR 56 Ca 0.00 -0.96 0.19 0.00 -1.18 0.00 0.00 61.69 59.75 2pku s THR 56 Cb 0.00 -2.92 0.32 0.00 1.34 0.00 0.00 72.50 71.23 2pku s THR 56 CO 0.00 0.13 2.09 1.55 -0.54 0.00 0.00 174.62 177.86 2pku h PRO 57 N 3.48 0.01 0.04 3.99 0.13 -1.85 0.49 132.00 138.29 2pku h PRO 57 Ca -0.48 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 2pku h PRO 57 Cb 1.16 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2pku h PRO 57 CO 0.60 0.00 -1.03 0.00 -0.23 0.00 0.00 178.00 177.34 2pku h ALA 58 N 1.90 0.34 0.00 -0.56 0.00 -1.71 -1.90 119.26 117.32 2pku h ALA 58 Ca 0.10 -0.84 -0.24 0.00 0.00 0.00 0.00 54.91 53.93 2pku h ALA 58 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2pku h ALA 58 CO -0.00 1.06 -1.32 0.00 0.00 0.00 0.00 179.25 178.99 2pku h ALA 59 N 0.88 0.59 0.14 0.00 0.00 -1.48 -3.01 119.26 116.37 2pku h ALA 59 Ca -0.06 -1.13 -0.28 0.00 0.00 0.00 0.00 54.91 53.45 2pku h ALA 59 Cb 1.74 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.71 2pku h ALA 59 CO 0.15 1.34 -1.26 -0.07 0.00 0.00 0.00 179.25 179.41 2pku h LEU 60 N 0.00 0.51 0.15 0.00 3.38 -0.14 -3.35 115.31 115.87 2pku h LEU 60 Ca -0.14 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 2pku h LEU 60 Cb 1.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2pku h LEU 60 CO 0.10 1.41 -0.07 0.44 0.09 0.00 0.00 178.44 180.40 2pku h ASP 61 N 0.10 -0.17 -0.42 -0.43 5.19 -1.47 -3.49 116.42 115.73 2pku h ASP 61 Ca -0.15 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2pku h ASP 61 Cb 1.98 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.53 2pku h ASP 61 CO 0.21 0.30 0.00 0.61 -3.12 0.00 0.00 179.24 177.24 2pku n GLY 62 N 0.19 0.80 0.93 2.75 0.00 -1.14 -5.04 105.19 103.68 2pku n GLY 62 Ca -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2pku n GLY 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pku n THR 63 N -0.60 0.71 -4.26 2.61 -1.04 -1.25 -5.04 114.28 105.41 2pku n THR 63 Ca 0.00 0.17 -0.34 0.00 -2.04 0.00 0.00 64.05 61.84 2pku n THR 63 Cb 0.15 -1.60 -0.11 0.00 -1.82 0.00 0.00 70.33 66.95 2pku n THR 63 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2pku s VAL 64 N -2.07 4.27 0.00 12.58 -7.23 -1.26 -5.01 120.40 121.67 2pku s VAL 64 Ca -0.04 -0.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.90 2pku s VAL 64 Cb 0.01 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.07 2pku s VAL 64 CO 0.05 0.50 0.02 0.00 -0.31 0.00 0.00 175.10 175.36 2pku n ALA 65 N 3.30 -0.05 -1.72 1.32 0.00 -1.26 -4.60 120.51 117.51 2pku n ALA 65 Ca -0.17 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 2pku n ALA 65 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2pku n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pku n ALA 66 N -2.97 2.75 0.00 0.00 0.00 -1.17 -2.46 120.51 116.66 2pku n ALA 66 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2pku n ALA 66 Cb 0.01 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2pku n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pku n GLY 67 N 3.65 1.54 3.86 0.00 0.00 -1.26 -4.88 105.19 108.10 2pku n GLY 67 Ca 0.15 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2pku n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pku s ASP 68 N -0.21 4.77 -0.31 1.61 1.01 -1.03 -4.46 116.67 118.05 2pku s ASP 68 Ca 0.00 1.04 0.01 0.00 0.71 0.00 0.00 52.55 54.31 2pku s ASP 68 Cb 0.00 -1.71 0.10 0.00 1.01 0.00 0.00 42.92 42.32 2pku s ASP 68 CO 0.00 -1.77 0.06 -0.70 0.21 0.00 0.00 175.17 172.98 2pku s GLU 69 N -5.38 1.07 0.44 8.23 2.12 -0.39 -3.31 118.70 121.47 2pku s GLU 69 Ca 0.60 -1.33 -0.24 0.00 0.36 0.00 0.00 54.97 54.36 2pku s GLU 69 Cb -0.12 -2.47 -0.08 0.00 0.26 0.00 0.00 34.13 31.72 2pku s GLU 69 CO 0.52 -0.93 1.16 -1.50 -0.54 0.00 0.00 175.26 173.97 2pku s ILE 70 N 1.35 3.15 -0.28 -3.70 2.07 -1.23 0.33 121.20 122.89 2pku s ILE 70 Ca 0.08 0.90 0.09 0.00 -1.41 0.00 0.00 60.65 60.31 2pku s ILE 70 Cb -0.18 -3.47 0.29 0.00 0.13 0.00 0.00 42.46 39.23 2pku s ILE 70 CO -0.17 0.02 1.26 1.07 -1.91 0.00 0.00 174.94 175.21 2pku n THR 71 N -0.27 0.00 0.00 4.00 5.66 0.22 -4.32 114.28 119.56 2pku n THR 71 Ca 0.06 -0.87 0.00 0.00 -3.05 0.00 0.00 64.05 60.19 2pku n THR 71 Cb 0.48 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 2pku n THR 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pku n GLY 72 N -0.96 3.05 2.94 1.09 0.00 -1.18 -4.29 105.19 105.84 2pku n GLY 72 Ca -0.12 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 2pku n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pku s VAL 73 N -1.46 -0.42 -1.68 1.61 1.01 0.08 0.01 120.40 119.55 2pku s VAL 73 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2pku s VAL 73 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2pku s VAL 73 CO 0.00 0.02 0.00 -3.20 0.00 0.00 0.00 175.10 171.92 2pku n ASN 74 N 5.35 -5.50 0.00 3.32 2.85 0.20 -1.26 115.26 120.22 2pku n ASN 74 Ca -0.06 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 2pku n ASN 74 Cb 0.50 -4.61 0.00 0.00 1.24 0.00 0.00 39.78 36.90 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pku n GLY 75 N -0.92 2.88 3.73 8.20 0.00 -1.26 -5.01 105.19 112.81 2pku n GLY 75 Ca -0.23 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2pku n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pku s ARG 76 N 0.00 4.33 -0.15 1.61 3.00 -0.39 -4.97 118.95 122.38 2pku s ARG 76 Ca 0.00 2.13 -0.29 0.00 -1.00 0.00 0.00 55.73 56.57 2pku s ARG 76 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 34.95 31.75 2pku s ARG 76 CO 0.00 -0.36 1.00 -1.54 0.00 0.00 0.00 175.30 174.40 2pku s SER 77 N 0.61 7.17 -0.17 -2.12 1.04 -1.26 -0.74 113.70 118.24 2pku s SER 77 Ca 0.60 1.45 0.16 0.00 0.48 0.00 0.00 55.95 58.65 2pku s SER 77 Cb -0.38 -2.54 0.74 0.00 0.10 0.00 0.00 66.02 63.94 2pku s SER 77 CO 0.36 -0.50 1.66 2.30 0.98 0.00 0.00 173.24 178.04 2pku n ILE 78 N 4.78 2.23 0.10 -1.02 -6.64 -1.26 -4.46 119.36 113.09 2pku n ILE 78 Ca 0.09 -1.33 0.03 0.00 -1.77 0.00 0.00 62.75 59.77 2pku n ILE 78 Cb 0.48 -0.05 0.42 0.00 -1.44 0.00 0.00 39.64 39.05 2pku n ILE 78 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 2pku h LYS 79 N 3.86 0.30 -1.45 6.28 1.79 -1.88 -2.85 116.57 122.62 2pku h LYS 79 Ca 0.00 -0.05 -0.67 0.00 -2.18 0.00 0.00 60.65 57.76 2pku h LYS 79 Cb 1.65 -0.05 -0.34 0.00 -1.58 0.00 0.00 32.23 31.91 2pku h LYS 79 CO 0.33 0.34 0.24 0.41 -1.08 0.00 0.00 179.45 179.68 2pku n GLY 80 N -1.11 5.88 3.03 3.86 0.00 -1.26 -4.21 105.19 111.37 2pku n GLY 80 Ca 0.00 -2.55 -0.12 0.00 0.00 0.00 0.00 46.02 43.35 2pku n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pku s LYS 81 N -3.80 0.45 0.68 1.61 -0.14 -1.08 -5.12 119.74 112.34 2pku s LYS 81 Ca 0.54 -0.69 -0.07 0.00 -1.36 0.00 0.00 55.97 54.38 2pku s LYS 81 Cb 0.44 -0.17 0.04 0.00 -1.68 0.00 0.00 37.83 36.45 2pku s LYS 81 CO -0.19 0.02 1.00 0.99 -0.76 0.00 0.00 175.35 176.41 2pku s THR 82 N -1.35 2.87 0.48 2.17 2.01 -1.26 -4.75 115.64 115.81 2pku s THR 82 Ca -0.11 -0.06 0.17 0.00 0.31 0.00 0.00 61.69 62.00 2pku s THR 82 Cb -0.10 -3.21 0.33 0.00 0.01 0.00 0.00 72.50 69.53 2pku s THR 82 CO -0.00 -0.24 2.03 0.07 -0.69 0.00 0.00 174.62 175.79 2pku h LYS 83 N -0.51 0.20 0.05 4.92 2.10 -1.68 -0.03 116.57 121.63 2pku h LYS 83 Ca -0.45 -0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 57.95 2pku h LYS 83 Cb 1.29 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2pku h LYS 83 CO 0.61 0.14 -1.05 -0.39 -2.00 0.00 0.00 179.45 176.75 2pku h VAL 84 N 0.21 1.44 -0.02 0.07 -1.51 -1.93 -2.11 116.25 112.41 2pku h VAL 84 Ca 0.19 -2.69 -0.01 0.00 -1.23 0.00 0.00 66.70 62.96 2pku h VAL 84 Cb 0.49 2.63 -0.00 0.00 -2.13 0.00 0.00 31.29 32.28 2pku h VAL 84 CO -0.03 0.79 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.76 2pku h GLU 85 N 0.16 0.05 -0.34 5.19 4.39 -1.54 -2.28 114.58 120.21 2pku h GLU 85 Ca -0.10 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2pku h GLU 85 Cb 1.72 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.36 2pku h GLU 85 CO 0.18 0.46 0.07 0.28 -1.16 0.00 0.00 179.01 178.84 2pku h VAL 86 N -0.37 1.23 -0.48 3.13 2.07 -1.17 -1.90 116.25 118.76 2pku h VAL 86 Ca 0.00 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.82 2pku h VAL 86 Cb 0.44 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2pku h VAL 86 CO 0.00 0.26 0.14 0.00 0.02 0.00 0.00 177.57 178.00 2pku h ALA 87 N 0.91 0.57 -0.41 1.67 0.00 -1.42 -1.13 119.26 119.45 2pku h ALA 87 Ca 0.10 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2pku h ALA 87 Cb 0.32 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2pku h ALA 87 CO 0.00 -0.26 -0.01 0.87 0.00 0.00 0.00 179.25 179.86 2pku h LYS 88 N 0.30 0.67 -0.99 0.00 6.56 -1.30 -1.99 116.57 119.82 2pku h LYS 88 Ca 0.23 -0.17 0.01 0.00 -1.06 0.00 0.00 60.65 59.67 2pku h LYS 88 Cb 0.27 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.80 2pku h LYS 88 CO -0.27 0.69 0.65 1.98 -2.06 0.00 0.00 179.45 180.45 2pku h MET 89 N 0.63 1.29 -0.06 3.15 4.05 -0.40 -1.12 114.93 122.47 2pku h MET 89 Ca 0.13 -0.08 -0.19 0.00 -0.28 0.00 0.00 59.70 59.28 2pku h MET 89 Cb 0.41 -0.29 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2pku h MET 89 CO 0.02 0.85 -0.77 0.82 0.23 0.00 0.00 176.91 178.05 2pku h ILE 90 N 1.33 1.40 0.00 1.77 1.08 -1.01 -1.97 117.51 120.10 2pku h ILE 90 Ca 0.36 -2.23 -0.05 0.00 -0.39 0.00 0.00 64.86 62.55 2pku h ILE 90 Cb -0.14 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 2pku h ILE 90 CO -0.08 0.67 -0.26 1.56 -0.69 0.00 0.00 178.15 179.35 2pku h GLN 91 N 0.25 0.00 0.00 2.37 4.20 -0.78 -3.22 115.11 117.92 2pku h GLN 91 Ca -0.04 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2pku h GLN 91 Cb 1.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 2pku h GLN 91 CO 0.13 0.26 -0.60 0.93 -0.67 0.00 0.00 178.83 178.87 2pku h GLU 92 N 0.00 0.00 -6.38 1.46 5.08 -1.14 -3.46 114.58 110.14 2pku h GLU 92 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2pku h GLU 92 Cb 0.60 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.88 2pku h GLU 92 CO 0.03 0.92 1.09 1.55 -1.00 0.00 0.00 179.01 181.60 2pku n VAL 93 N -4.54 0.49 -3.85 3.13 3.14 -0.75 -4.98 118.33 110.98 2pku n VAL 93 Ca -0.20 -0.09 -0.25 0.00 -2.96 0.00 0.00 64.34 60.85 2pku n VAL 93 Cb 0.54 -1.98 -0.02 0.00 -1.06 0.00 0.00 33.84 31.32 2pku n VAL 93 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2pku s LYS 94 N 3.38 2.31 3.23 1.45 0.00 -1.26 -4.90 119.74 123.95 2pku s LYS 94 Ca 0.87 -1.88 0.00 0.00 0.00 0.00 0.00 55.97 54.96 2pku s LYS 94 Cb -0.58 -2.15 0.00 0.00 0.00 0.00 0.00 37.83 35.10 2pku s LYS 94 CO 0.44 -0.45 0.00 0.41 0.00 0.00 0.00 175.35 175.75 2pku n GLY 95 N -1.64 0.17 3.55 0.59 0.00 -1.26 -4.47 105.19 102.13 2pku n GLY 95 Ca -0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2pku n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pku s GLU 96 N 0.00 2.57 0.15 1.61 1.03 -1.26 -2.74 118.70 120.05 2pku s GLU 96 Ca 0.00 0.28 -0.23 0.00 0.03 0.00 0.00 54.97 55.05 2pku s GLU 96 Cb 0.00 -4.66 -0.08 0.00 -0.80 0.00 0.00 34.13 28.60 2pku s GLU 96 CO 0.00 -3.02 0.71 0.54 -1.33 0.00 0.00 175.26 172.16 2pku s VAL 97 N 9.62 4.50 -0.03 1.83 0.11 0.30 -4.86 120.40 131.86 2pku s VAL 97 Ca 0.69 1.50 0.04 0.00 -2.93 0.00 0.00 61.98 61.28 2pku s VAL 97 Cb -0.10 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 2pku s VAL 97 CO 0.12 0.49 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.37 2pku s THR 98 N -1.19 3.19 -0.01 5.04 2.01 -1.26 0.46 115.64 123.88 2pku s THR 98 Ca 0.35 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2pku s THR 98 Cb -0.21 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.02 2pku s THR 98 CO 0.23 0.54 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.05 2pku s ILE 99 N -0.80 0.24 -0.45 1.82 1.09 -0.27 0.62 121.20 123.45 2pku s ILE 99 Ca 0.13 -0.08 -0.13 0.00 -1.10 0.00 0.00 60.65 59.47 2pku s ILE 99 Cb -0.11 -0.25 0.07 0.00 -1.06 0.00 0.00 42.46 41.12 2pku s ILE 99 CO 0.02 0.10 0.34 -1.00 -0.10 0.00 0.00 174.94 174.30 2pku s HIS 100 N 0.26 3.27 0.36 3.97 3.76 0.10 -1.35 115.29 125.66 2pku s HIS 100 Ca -0.02 -1.07 0.08 0.00 -0.15 0.00 0.00 55.06 53.89 2pku s HIS 100 Cb -0.05 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 2pku s HIS 100 CO -0.01 -0.79 0.22 1.52 -0.85 0.00 0.00 174.74 174.83 2pku s TYR 101 N 1.58 2.74 -0.10 1.40 1.13 0.16 0.69 117.35 124.96 2pku s TYR 101 Ca 0.04 -0.41 0.01 0.00 -1.41 0.00 0.00 57.07 55.30 2pku s TYR 101 Cb -0.23 -1.80 0.02 0.00 -1.10 0.00 0.00 41.96 38.84 2pku s TYR 101 CO 0.06 0.21 -0.12 -0.80 -2.51 0.00 0.00 175.55 172.39 2pku s ASN 102 N -3.93 2.15 -0.06 -0.18 0.01 0.15 0.80 114.94 113.88 2pku s ASN 102 Ca 0.40 -0.35 -0.26 0.00 -0.71 0.00 0.00 52.86 51.95 2pku s ASN 102 Cb -0.03 -0.93 -0.03 0.00 0.41 0.00 0.00 41.25 40.68 2pku s ASN 102 CO 0.24 -0.03 0.80 -0.75 -1.51 0.00 0.00 177.10 175.86 2pku s LYS 103 N 1.14 4.45 0.00 -0.60 2.47 -1.09 -1.26 119.74 124.85 2pku s LYS 103 Ca -0.05 1.05 0.11 0.00 -1.56 0.00 0.00 55.97 55.53 2pku s LYS 103 Cb -0.14 -3.47 0.09 0.00 -1.46 0.00 0.00 37.83 32.85 2pku s LYS 103 CO -0.03 -0.03 0.86 1.28 0.16 0.00 0.00 175.35 177.60