#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 3.17 0.16 2.28 1.01 -0.76 -4.98 120.40 121.28 2pku s VAL 19 Ca 0.00 -4.12 -0.32 0.00 0.00 0.00 0.00 61.98 57.54 2pku s VAL 19 Cb 0.00 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 2pku s VAL 19 CO 0.00 -1.01 1.71 -2.84 0.00 0.00 0.00 175.10 172.96 2pku s PRO 20 N -1.34 4.16 -0.16 2.72 0.02 -1.26 -1.44 135.00 137.70 2pku s PRO 20 Ca 0.25 2.52 -0.07 0.00 0.02 0.00 0.00 61.00 63.72 2pku s PRO 20 Cb -0.07 -3.27 0.07 0.00 0.02 0.00 0.00 34.50 31.25 2pku s PRO 20 CO -0.15 -0.74 0.35 0.20 -0.33 0.00 0.00 177.00 176.34 2pku s GLY 21 N 1.67 -0.26 -0.31 0.52 0.00 0.18 -4.96 107.32 104.16 2pku s GLY 21 Ca 0.75 1.31 -0.06 0.00 0.00 0.00 0.00 44.72 46.72 2pku s GLY 21 CO 0.33 1.89 0.08 -1.59 0.00 0.00 0.00 173.10 173.81 2pku s LYS 22 N 1.96 2.86 -0.07 2.90 -2.85 -1.26 -0.31 119.74 122.96 2pku s LYS 22 Ca -0.05 -1.01 -0.03 0.00 -1.00 0.00 0.00 55.97 53.88 2pku s LYS 22 Cb -0.11 -3.37 -0.04 0.00 -2.06 0.00 0.00 37.83 32.25 2pku s LYS 22 CO -0.11 -0.54 0.06 0.54 0.10 0.00 0.00 175.35 175.40 2pku s VAL 23 N 1.44 4.74 -0.75 1.79 0.11 -0.71 -4.89 120.40 122.13 2pku s VAL 23 Ca 0.00 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.83 2pku s VAL 23 Cb -0.18 -3.06 0.19 0.00 -1.53 0.00 0.00 36.38 31.80 2pku s VAL 23 CO 0.02 0.54 0.61 -0.89 -3.33 0.00 0.00 175.10 172.05 2pku s THR 24 N -1.01 4.39 -0.07 5.04 2.01 -1.26 -1.03 115.64 123.71 2pku s THR 24 Ca 0.16 -3.05 -0.11 0.00 0.31 0.00 0.00 61.69 59.00 2pku s THR 24 Cb -0.12 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 2pku s THR 24 CO 0.06 -0.97 0.28 -0.76 -0.69 0.00 0.00 174.62 172.54 2pku s LEU 25 N -0.33 4.42 0.64 4.42 1.43 0.24 -4.73 118.68 124.77 2pku s LEU 25 Ca 0.20 0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 53.91 2pku s LEU 25 Cb -0.15 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2pku s LEU 25 CO -0.07 0.35 1.01 -1.10 0.23 0.00 0.00 176.35 176.77 2pku s GLN 26 N -0.94 3.05 0.02 1.70 1.11 -1.26 0.63 119.66 123.96 2pku s GLN 26 Ca 0.19 0.36 -0.30 0.00 0.01 0.00 0.00 55.36 55.62 2pku s GLN 26 Cb -0.14 -2.13 -0.04 0.00 -1.01 0.00 0.00 33.01 29.69 2pku s GLN 26 CO 0.08 -0.80 1.06 0.15 0.01 0.00 0.00 175.29 175.80 2pku s LYS 27 N -5.18 4.51 0.37 2.91 -0.14 -0.69 -4.61 119.74 116.89 2pku s LYS 27 Ca 0.56 1.55 -0.06 0.00 -1.36 0.00 0.00 55.97 56.66 2pku s LYS 27 Cb -0.11 -3.42 0.09 0.00 -1.68 0.00 0.00 37.83 32.72 2pku s LYS 27 CO 0.50 -0.14 0.27 -3.47 -0.76 0.00 0.00 175.35 171.75 2pku n ASP 28 N 3.94 -1.94 0.19 2.83 2.03 -1.26 -4.75 116.55 117.60 2pku n ASP 28 Ca 0.07 -0.46 0.05 0.00 0.52 0.00 0.00 54.79 54.97 2pku n ASP 28 Cb 0.49 -0.27 0.50 0.00 -0.72 0.00 0.00 41.12 41.12 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 -2.32 1.72 -0.94 -1.67 0.00 -1.96 -1.86 119.26 112.23 2pku h ALA 29 Ca -0.11 -0.13 -0.50 0.00 0.00 0.00 0.00 54.91 54.18 2pku h ALA 29 Cb 0.35 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.81 2pku h ALA 29 CO 0.07 0.21 0.63 0.00 0.00 0.00 0.00 179.25 180.16 2pku n GLN 30 N -4.37 2.20 -3.97 0.00 10.64 -1.26 -4.89 117.38 115.72 2pku n GLN 30 Ca -0.02 -2.84 -0.32 0.00 -1.83 0.00 0.00 57.00 51.99 2pku n GLN 30 Cb 0.20 -2.11 -0.03 0.00 -0.86 0.00 0.00 30.24 27.44 2pku n GLN 30 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2pku n ASN 31 N -1.03 -2.87 -3.51 2.61 6.94 -0.70 -4.91 115.26 111.79 2pku n ASN 31 Ca 0.56 -0.81 -0.20 0.00 -0.02 0.00 0.00 54.58 54.12 2pku n ASN 31 Cb 1.55 -2.40 -0.13 0.00 -2.36 0.00 0.00 39.78 36.44 2pku n ASN 31 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2pku s LEU 32 N -6.90 -0.03 0.58 -4.53 1.43 -1.26 -4.79 118.68 103.17 2pku s LEU 32 Ca 0.63 -0.32 0.28 0.00 -1.03 0.00 0.00 54.13 53.69 2pku s LEU 32 Cb -0.35 0.27 1.50 0.00 0.03 0.00 0.00 46.19 47.64 2pku s LEU 32 CO 0.78 -0.33 1.95 0.16 0.23 0.00 0.00 176.35 179.14 2pku h ILE 33 N 6.33 0.46 -1.95 -0.59 3.07 -1.91 -3.34 117.51 119.58 2pku h ILE 33 Ca -0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2pku h ILE 33 Cb 1.15 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 2pku h ILE 33 CO 0.29 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.00 2pku n GLY 34 N -1.52 0.12 3.11 0.16 0.00 -1.26 -2.65 105.19 103.14 2pku n GLY 34 Ca 0.08 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.65 -0.40 0.40 -0.61 -4.36 -1.26 -3.98 121.20 108.34 2pku s ILE 35 Ca 0.00 0.22 -0.07 0.00 -0.26 0.00 0.00 60.65 60.54 2pku s ILE 35 Cb 0.00 -0.52 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 2pku s ILE 35 CO 0.00 0.09 0.72 -0.55 0.24 0.00 0.00 174.94 175.44 2pku s SER 36 N 2.25 6.40 0.31 4.36 0.15 -1.24 -4.97 113.70 120.96 2pku s SER 36 Ca -0.02 0.93 -0.03 0.00 0.70 0.00 0.00 55.95 57.52 2pku s SER 36 Cb -0.11 -2.24 -0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2pku s SER 36 CO -0.10 -0.41 0.43 0.27 1.20 0.00 0.00 173.24 174.62 2pku s ILE 37 N -2.44 0.00 -0.29 6.45 -4.36 -1.26 0.30 121.20 119.60 2pku s ILE 37 Ca 0.48 -1.63 -0.16 0.00 -0.26 0.00 0.00 60.65 59.07 2pku s ILE 37 Cb -0.10 -2.55 0.14 0.00 1.25 0.00 0.00 42.46 41.20 2pku s ILE 37 CO 0.36 0.00 0.96 -0.83 0.24 0.00 0.00 174.94 175.67 2pku s GLY 38 N -3.20 -0.03 0.06 6.27 0.00 -0.20 -4.70 107.32 105.51 2pku s GLY 38 Ca 0.31 3.10 -0.28 0.00 0.00 0.00 0.00 44.72 47.85 2pku s GLY 38 CO 0.18 2.60 1.06 -0.32 0.00 0.00 0.00 173.10 176.61 2pku s GLY 39 N 1.38 -0.32 0.00 0.20 0.00 -1.26 -1.66 107.32 105.66 2pku s GLY 39 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2pku s GLY 39 CO -0.15 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.68 2pku n GLY 40 N -0.42 2.04 0.46 0.20 0.00 0.28 -4.28 105.19 103.47 2pku n GLY 40 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.10 4.61 0.00 -0.39 -4.44 120.51 117.39 2pku n ALA 41 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2pku n ALA 41 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.02 0.00 0.00 4.15 -1.99 -3.32 115.11 113.97 2pku h GLN 42 Ca 0.00 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 2pku h GLN 42 Cb 0.00 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2pku h GLN 42 CO 0.00 0.78 -1.33 0.66 -1.93 0.00 0.00 178.83 177.01 2pku n TYR 43 N -3.64 0.00 -3.65 3.99 4.01 -1.26 -4.92 117.16 111.69 2pku n TYR 43 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 2pku n TYR 43 Cb 0.74 -0.23 -0.12 0.00 -0.31 0.00 0.00 39.34 39.42 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pku h PRO 45 N 6.49 0.00 -6.69 0.00 0.13 -1.79 0.83 132.00 130.97 2pku h PRO 45 Ca 0.06 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.66 2pku h PRO 45 Cb 0.91 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.08 2pku h PRO 45 CO 0.46 0.42 0.68 0.00 -0.23 0.00 0.00 178.00 179.32 2pku s LEU 47 N -0.12 3.84 0.28 0.00 2.01 -1.26 -4.22 118.68 119.20 2pku s LEU 47 Ca 0.57 0.18 0.11 0.00 0.01 0.00 0.00 54.13 55.00 2pku s LEU 47 Cb -0.38 -1.93 -0.05 0.00 0.01 0.00 0.00 46.19 43.84 2pku s LEU 47 CO 0.39 0.29 -0.18 -0.31 1.01 0.00 0.00 176.35 177.55 2pku s TYR 48 N -0.34 2.21 -0.16 0.29 2.02 -0.66 -4.02 117.35 116.68 2pku s TYR 48 Ca 0.09 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.33 2pku s TYR 48 Cb -0.12 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2pku s TYR 48 CO 0.02 0.64 0.07 0.42 -1.57 0.00 0.00 175.55 175.13 2pku s ILE 49 N -2.60 4.88 0.29 2.71 1.01 -1.20 -1.04 121.20 125.26 2pku s ILE 49 Ca 0.29 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.98 2pku s ILE 49 Cb -0.03 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2pku s ILE 49 CO 0.14 0.50 0.44 -0.69 0.00 0.00 0.00 174.94 175.33 2pku s VAL 50 N -0.02 4.82 0.12 2.92 1.01 0.15 -3.60 120.40 125.79 2pku s VAL 50 Ca 0.07 -0.89 -0.35 0.00 0.00 0.00 0.00 61.98 60.81 2pku s VAL 50 Cb -0.12 -3.71 -0.17 0.00 0.00 0.00 0.00 36.38 32.39 2pku s VAL 50 CO 0.01 -0.31 1.14 0.00 0.00 0.00 0.00 175.10 175.94 2pku n GLN 51 N -1.57 0.87 -1.40 2.72 10.64 -1.26 -3.67 117.38 123.72 2pku n GLN 51 Ca -0.05 0.31 -0.22 0.00 -1.83 0.00 0.00 57.00 55.21 2pku n GLN 51 Cb 0.57 -1.81 0.16 0.00 -0.86 0.00 0.00 30.24 28.30 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 1.64 0.00 -4.38 -0.39 0.24 -1.26 -4.18 118.33 110.00 2pku n VAL 52 Ca 0.17 -0.72 -0.31 0.00 -2.04 0.00 0.00 64.34 61.44 2pku n VAL 52 Cb 0.20 -1.62 -0.10 0.00 -1.47 0.00 0.00 33.84 30.86 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 -3.15 2.84 0.97 6.34 0.08 -1.26 -4.96 117.98 118.85 2pku s PHE 53 Ca 0.56 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.43 2pku s PHE 53 Cb -0.02 -1.55 0.18 0.00 -0.57 0.00 0.00 43.02 41.06 2pku s PHE 53 CO 0.40 0.39 1.11 -0.51 -0.10 0.00 0.00 175.22 176.51 2pku s ASP 54 N -1.72 2.52 -1.45 1.36 1.01 -1.26 -3.11 116.67 114.02 2pku s ASP 54 Ca 0.19 1.97 0.00 0.00 0.71 0.00 0.00 52.55 55.42 2pku s ASP 54 Cb -0.11 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2pku s ASP 54 CO 0.10 -3.32 0.00 0.59 0.21 0.00 0.00 175.17 172.76 2pku n ASN 55 N -4.36 -5.06 -4.72 0.27 3.02 -1.26 -4.99 115.26 98.16 2pku n ASN 55 Ca 0.09 0.34 -0.31 0.00 -0.03 0.00 0.00 54.58 54.68 2pku n ASN 55 Cb 0.53 -3.76 -0.08 0.00 -0.61 0.00 0.00 39.78 35.86 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 -2.37 4.21 0.55 3.41 -4.23 -1.18 -4.98 115.64 111.05 2pku s THR 56 Ca 0.00 -0.87 0.22 0.00 -1.18 0.00 0.00 61.69 59.86 2pku s THR 56 Cb 0.00 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 71.15 2pku s THR 56 CO 0.00 0.15 2.20 1.55 -0.54 0.00 0.00 174.62 177.98 2pku h PRO 57 N 3.49 0.00 0.06 3.99 0.13 -1.85 0.49 132.00 138.31 2pku h PRO 57 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 2pku h PRO 57 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2pku h PRO 57 CO 0.62 0.00 -1.28 0.00 -0.23 0.00 0.00 178.00 177.11 2pku h ALA 58 N 2.00 0.31 0.00 -0.56 0.00 -1.75 -2.04 119.26 117.21 2pku h ALA 58 Ca -0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 54.91 53.68 2pku h ALA 58 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2pku h ALA 58 CO 0.00 1.18 -1.22 0.00 0.00 0.00 0.00 179.25 179.22 2pku h ALA 59 N 0.76 0.56 0.16 0.00 0.00 -1.57 -2.97 119.26 116.19 2pku h ALA 59 Ca -0.13 -1.03 -0.24 0.00 0.00 0.00 0.00 54.91 53.51 2pku h ALA 59 Cb 1.91 0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.83 2pku h ALA 59 CO 0.15 1.25 -1.09 -0.07 0.00 0.00 0.00 179.25 179.49 2pku h LEU 60 N 0.00 0.52 -1.24 0.00 3.38 -0.15 -3.31 115.31 114.50 2pku h LEU 60 Ca -0.12 -0.92 -0.08 0.00 0.09 0.00 0.00 57.88 56.85 2pku h LEU 60 Cb 1.78 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2pku h LEU 60 CO 0.10 1.51 -0.35 0.44 0.09 0.00 0.00 178.44 180.22 2pku h ASP 61 N -0.26 0.05 -4.36 -0.43 5.19 -1.51 -3.48 116.42 111.62 2pku h ASP 61 Ca -0.21 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.13 2pku h ASP 61 Cb 1.77 -0.01 0.04 0.00 0.18 0.00 0.00 39.33 41.31 2pku h ASP 61 CO 0.15 0.40 -0.19 0.61 -3.12 0.00 0.00 179.24 177.09 2pku n GLY 62 N -0.47 -0.61 0.98 2.75 0.00 -1.12 -5.00 105.19 101.71 2pku n GLY 62 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2pku n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pku n THR 63 N -1.84 0.00 -5.10 2.61 5.66 -1.23 -5.09 114.28 109.28 2pku n THR 63 Ca -0.02 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.69 2pku n THR 63 Cb 0.53 -0.65 -0.16 0.00 -1.55 0.00 0.00 70.33 68.50 2pku n THR 63 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2pku s VAL 64 N -1.78 1.90 0.00 1.08 -7.23 -1.26 -5.05 120.40 108.06 2pku s VAL 64 Ca 0.00 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2pku s VAL 64 Cb 0.00 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.36 2pku s VAL 64 CO 0.00 0.48 0.09 0.00 -0.31 0.00 0.00 175.10 175.36 2pku n ALA 65 N 2.33 -0.25 -1.82 1.32 0.00 -1.26 -4.62 120.51 116.21 2pku n ALA 65 Ca -0.16 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 2pku n ALA 65 Cb 0.52 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 2pku n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pku s ALA 66 N -1.08 2.52 0.00 0.00 0.00 -1.24 -2.78 121.76 119.18 2pku s ALA 66 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2pku s ALA 66 Cb -0.00 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2pku s ALA 66 CO 0.00 -3.16 0.00 0.41 0.00 0.00 0.00 175.76 173.01 2pku n GLY 67 N 5.66 1.19 3.92 0.00 0.00 -1.24 -4.89 105.19 109.83 2pku n GLY 67 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 5.91 -0.29 1.61 1.01 -1.12 -4.14 116.67 119.65 2pku s ASP 68 Ca 0.00 0.71 0.03 0.00 0.71 0.00 0.00 52.55 54.00 2pku s ASP 68 Cb 0.00 -1.89 0.07 0.00 1.01 0.00 0.00 42.92 42.11 2pku s ASP 68 CO 0.00 -0.79 -0.05 -0.70 0.21 0.00 0.00 175.17 173.84 2pku s GLU 69 N -4.80 2.02 0.42 8.23 2.12 -0.77 -3.21 118.70 122.71 2pku s GLU 69 Ca 0.50 -1.51 -0.25 0.00 0.36 0.00 0.00 54.97 54.07 2pku s GLU 69 Cb -0.10 -3.02 -0.08 0.00 0.26 0.00 0.00 34.13 31.18 2pku s GLU 69 CO 0.43 -0.70 1.18 -1.50 -0.54 0.00 0.00 175.26 174.13 2pku s ILE 70 N 1.05 3.11 -0.08 -3.70 2.07 -1.26 -1.42 121.20 120.98 2pku s ILE 70 Ca -0.02 0.91 0.05 0.00 -1.41 0.00 0.00 60.65 60.17 2pku s ILE 70 Cb -0.20 -3.50 0.12 0.00 0.13 0.00 0.00 42.46 39.02 2pku s ILE 70 CO -0.06 0.06 1.13 1.07 -1.91 0.00 0.00 174.94 175.23 2pku n THR 71 N -0.08 0.02 0.00 4.00 5.66 -0.46 -4.70 114.28 118.72 2pku n THR 71 Ca 0.05 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2pku n THR 71 Cb 0.47 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.32 2.06 2.83 1.09 0.00 -1.22 -4.28 105.19 105.34 2pku n GLY 72 Ca -0.23 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.73 -0.45 -1.71 1.61 1.01 -0.75 -1.52 120.40 116.85 2pku s VAL 73 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2pku s VAL 73 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2pku s VAL 73 CO 0.00 -0.17 0.00 -3.20 0.00 0.00 0.00 175.10 171.73 2pku n ASN 74 N 5.34 -5.53 0.00 3.32 5.15 0.29 -1.62 115.26 122.21 2pku n ASN 74 Ca -0.05 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2pku n ASN 74 Cb 0.50 -4.59 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pku n GLY 75 N -0.96 3.09 3.75 8.20 0.00 -1.26 -5.03 105.19 112.98 2pku n GLY 75 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2pku n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pku s ARG 76 N -0.24 2.14 -0.27 1.61 0.52 -0.64 -5.01 118.95 117.05 2pku s ARG 76 Ca 0.00 1.32 -0.10 0.00 -0.52 0.00 0.00 55.73 56.43 2pku s ARG 76 Cb 0.00 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 2pku s ARG 76 CO 0.00 -1.75 0.16 -1.12 0.02 0.00 0.00 175.30 172.61 2pku s SER 77 N -3.02 5.88 -0.00 0.23 0.01 -1.26 -1.80 113.70 113.73 2pku s SER 77 Ca 0.64 -0.03 0.21 0.00 1.31 0.00 0.00 55.95 58.09 2pku s SER 77 Cb -0.20 -2.08 -0.20 0.00 0.21 0.00 0.00 66.02 63.75 2pku s SER 77 CO 0.53 -0.03 0.86 2.30 0.41 0.00 0.00 173.24 177.31 2pku n ILE 78 N 4.91 0.01 -0.02 1.44 -6.64 -1.26 -4.33 119.36 113.47 2pku n ILE 78 Ca -0.15 -0.09 0.22 0.00 -1.77 0.00 0.00 62.75 60.97 2pku n ILE 78 Cb 0.52 0.77 0.72 0.00 -1.44 0.00 0.00 39.64 40.21 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 0.00 0.00 -0.81 6.28 1.57 -1.89 0.30 116.57 122.02 2pku h LYS 79 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2pku h LYS 79 Cb 0.59 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.61 2pku h LYS 79 CO 0.00 0.00 0.25 0.41 -0.57 0.00 0.00 179.45 179.54 2pku n GLY 80 N -1.61 5.61 3.04 3.86 0.00 -1.26 -4.86 105.19 109.97 2pku n GLY 80 Ca 0.11 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.58 0.48 0.76 1.61 1.02 0.09 -5.14 119.74 114.99 2pku s LYS 81 Ca 0.56 -0.95 -0.08 0.00 0.02 0.00 0.00 55.97 55.53 2pku s LYS 81 Cb 0.46 0.15 0.10 0.00 -0.52 0.00 0.00 37.83 38.02 2pku s LYS 81 CO 0.02 -0.08 1.09 0.95 -0.92 0.00 0.00 175.35 176.41 2pku s THR 82 N -2.78 2.18 0.42 2.17 -4.23 -1.26 -4.85 115.64 107.29 2pku s THR 82 Ca -0.03 -0.23 0.11 0.00 -1.18 0.00 0.00 61.69 60.36 2pku s THR 82 Cb -0.00 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 71.09 2pku s THR 82 CO -0.06 0.00 1.98 0.07 -0.54 0.00 0.00 174.62 176.08 2pku h LYS 83 N -0.83 0.18 -0.17 3.99 2.10 -1.78 -1.04 116.57 119.02 2pku h LYS 83 Ca -0.44 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.05 2pku h LYS 83 Cb 1.30 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2pku h LYS 83 CO 0.54 0.27 -0.43 -0.24 -2.00 0.00 0.00 179.45 177.60 2pku h VAL 84 N 0.17 1.34 -0.00 0.07 3.04 -1.93 -1.78 116.25 117.16 2pku h VAL 84 Ca 0.04 -1.68 -0.00 0.00 -1.01 0.00 0.00 66.70 64.05 2pku h VAL 84 Cb 0.26 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2pku h VAL 84 CO 0.01 0.52 0.00 -0.33 -1.01 0.00 0.00 177.57 176.76 2pku h GLU 85 N 0.25 0.01 -0.65 4.17 4.39 -1.85 -2.35 114.58 118.55 2pku h GLU 85 Ca -0.00 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2pku h GLU 85 Cb 1.04 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.65 2pku h GLU 85 CO 0.09 0.31 0.42 -0.39 -1.16 0.00 0.00 179.01 178.28 2pku h VAL 86 N -0.29 1.14 -0.15 3.13 -1.51 -1.28 -1.70 116.25 115.59 2pku h VAL 86 Ca 0.00 -0.29 0.03 0.00 -1.23 0.00 0.00 66.70 65.21 2pku h VAL 86 Cb 0.30 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 29.64 2pku h VAL 86 CO 0.00 0.16 -0.04 0.00 -1.23 0.00 0.00 177.57 176.45 2pku h ALA 87 N 1.25 0.09 -0.18 5.19 0.00 -1.28 -1.54 119.26 122.81 2pku h ALA 87 Ca 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2pku h ALA 87 Cb -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2pku h ALA 87 CO -0.07 -0.49 0.03 0.87 0.00 0.00 0.00 179.25 179.60 2pku h LYS 88 N -0.01 0.25 -0.36 0.00 6.56 -1.16 -2.31 116.57 119.54 2pku h LYS 88 Ca 0.07 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2pku h LYS 88 Cb 0.12 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 2pku h LYS 88 CO -0.16 0.25 0.16 1.98 -2.06 0.00 0.00 179.45 179.61 2pku h MET 89 N 0.25 0.53 -0.06 3.15 4.05 -0.36 -1.18 114.93 121.31 2pku h MET 89 Ca 0.06 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2pku h MET 89 Cb 0.12 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2pku h MET 89 CO -0.00 0.50 0.02 0.82 0.23 0.00 0.00 176.91 178.48 2pku h ILE 90 N 0.44 1.17 -0.07 1.77 1.08 -0.93 -1.63 117.51 119.35 2pku h ILE 90 Ca 0.12 -0.52 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 2pku h ILE 90 Cb 0.16 1.42 -0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2pku h ILE 90 CO -0.01 0.15 0.05 1.56 -0.69 0.00 0.00 178.15 179.21 2pku h GLN 91 N -0.11 0.00 -0.05 2.37 4.20 -1.36 -2.18 115.11 117.98 2pku h GLN 91 Ca 0.02 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 2pku h GLN 91 Cb 0.22 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.01 2pku h GLN 91 CO -0.00 0.00 -0.51 0.93 -0.67 0.00 0.00 178.83 178.58 2pku h GLU 92 N 0.00 0.43 -6.97 1.46 5.08 -0.85 -3.45 114.58 110.28 2pku h GLU 92 Ca 0.03 -0.40 -0.55 0.00 -1.00 0.00 0.00 59.36 57.45 2pku h GLU 92 Cb 0.14 0.10 0.12 0.00 0.50 0.00 0.00 28.75 29.61 2pku h GLU 92 CO -0.00 1.05 0.71 0.28 -1.00 0.00 0.00 179.01 180.04 2pku n VAL 93 N -4.27 2.64 -4.23 3.13 0.31 -0.65 -5.02 118.33 110.24 2pku n VAL 93 Ca -0.09 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.55 2pku n VAL 93 Cb 0.61 -1.86 -0.12 0.00 -0.91 0.00 0.00 33.84 31.57 2pku n VAL 93 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2pku s LYS 94 N -2.37 0.98 3.42 5.55 0.00 -1.26 -4.96 119.74 121.09 2pku s LYS 94 Ca 0.60 -1.13 0.00 0.00 0.00 0.00 0.00 55.97 55.44 2pku s LYS 94 Cb -0.46 -0.97 0.00 0.00 0.00 0.00 0.00 37.83 36.40 2pku s LYS 94 CO 0.59 0.21 0.00 0.41 0.00 0.00 0.00 175.35 176.55 2pku n GLY 95 N 0.89 0.17 3.57 0.59 0.00 -1.26 -4.70 105.19 104.44 2pku n GLY 95 Ca -0.18 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 2.96 -0.10 1.61 1.03 -1.26 -1.71 118.70 121.23 2pku s GLU 96 Ca 0.00 0.73 -0.16 0.00 0.03 0.00 0.00 54.97 55.57 2pku s GLU 96 Cb 0.00 -4.27 -0.05 0.00 -0.80 0.00 0.00 34.13 29.01 2pku s GLU 96 CO 0.00 -2.33 0.41 0.08 -1.33 0.00 0.00 175.26 172.09 2pku s VAL 97 N 7.76 5.18 -0.12 1.83 1.01 0.20 -4.88 120.40 131.38 2pku s VAL 97 Ca 0.65 0.81 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 2pku s VAL 97 Cb -0.14 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2pku s VAL 97 CO 0.24 0.42 -0.11 -0.89 0.00 0.00 0.00 175.10 174.77 2pku s THR 98 N 0.09 3.29 -0.05 3.92 2.01 -1.26 0.80 115.64 124.43 2pku s THR 98 Ca 0.23 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2pku s THR 98 Cb -0.15 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 69.99 2pku s THR 98 CO 0.09 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.84 2pku s ILE 99 N 0.12 0.87 -0.58 1.82 1.09 -0.20 0.11 121.20 124.44 2pku s ILE 99 Ca -0.05 -0.33 -0.19 0.00 -1.10 0.00 0.00 60.65 58.97 2pku s ILE 99 Cb -0.14 -0.83 0.09 0.00 -1.06 0.00 0.00 42.46 40.52 2pku s ILE 99 CO 0.04 0.30 0.71 -1.00 -0.10 0.00 0.00 174.94 174.89 2pku s HIS 100 N 0.71 2.97 0.09 3.97 3.76 -0.58 -1.73 115.29 124.49 2pku s HIS 100 Ca -0.13 -0.79 0.07 0.00 -0.15 0.00 0.00 55.06 54.06 2pku s HIS 100 Cb -0.15 -3.92 -0.04 0.00 1.11 0.00 0.00 32.58 29.58 2pku s HIS 100 CO 0.02 -1.26 -0.10 1.52 -0.85 0.00 0.00 174.74 174.07 2pku s TYR 101 N 2.83 2.75 -0.27 1.40 1.13 0.57 -1.35 117.35 124.42 2pku s TYR 101 Ca 0.14 -0.15 0.01 0.00 -1.41 0.00 0.00 57.07 55.66 2pku s TYR 101 Cb -0.22 -1.45 0.05 0.00 -1.10 0.00 0.00 41.96 39.24 2pku s TYR 101 CO 0.08 0.42 -0.08 -0.80 -2.51 0.00 0.00 175.55 172.66 2pku s ASN 102 N -2.12 4.51 0.44 -0.18 0.01 -0.51 0.48 114.94 117.58 2pku s ASN 102 Ca 0.21 -1.30 -0.23 0.00 -0.71 0.00 0.00 52.86 50.82 2pku s ASN 102 Cb -0.11 -1.60 -0.08 0.00 0.41 0.00 0.00 41.25 39.87 2pku s ASN 102 CO 0.13 -0.20 1.14 -0.54 -1.51 0.00 0.00 177.10 176.12 2pku s LYS 103 N 1.16 3.87 0.00 -0.60 1.02 -0.52 -1.84 119.74 122.84 2pku s LYS 103 Ca -0.07 1.71 0.00 0.00 0.02 0.00 0.00 55.97 57.63 2pku s LYS 103 Cb -0.19 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2pku s LYS 103 CO -0.04 -0.44 0.24 1.28 -0.92 0.00 0.00 175.35 175.47