#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 2.33 -0.06 2.28 1.01 -0.71 -4.94 120.40 120.31 2pku s VAL 19 Ca 0.00 -3.04 -0.30 0.00 0.00 0.00 0.00 61.98 58.64 2pku s VAL 19 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2pku s VAL 19 CO 0.00 -0.79 1.56 -2.16 0.00 0.00 0.00 175.10 173.71 2pku s PRO 20 N -0.01 4.20 0.02 2.72 0.04 -1.26 -1.17 135.00 139.55 2pku s PRO 20 Ca 0.16 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.29 2pku s PRO 20 Cb -0.25 -3.87 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 2pku s PRO 20 CO -0.01 -0.78 -0.04 0.20 0.04 0.00 0.00 177.00 176.40 2pku s GLY 21 N 2.85 0.28 -0.18 0.56 0.00 0.12 -5.00 107.32 105.96 2pku s GLY 21 Ca 0.69 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.92 2pku s GLY 21 CO 0.27 -0.53 -0.09 -1.59 0.00 0.00 0.00 173.10 171.16 2pku s LYS 22 N -1.07 1.85 -0.17 2.90 0.00 -1.26 0.46 119.74 122.45 2pku s LYS 22 Ca -0.09 -0.66 -0.03 0.00 0.00 0.00 0.00 55.97 55.18 2pku s LYS 22 Cb -0.07 -2.19 -0.02 0.00 0.00 0.00 0.00 37.83 35.54 2pku s LYS 22 CO -0.00 -0.39 -0.04 0.54 0.00 0.00 0.00 175.35 175.45 2pku s VAL 23 N 1.50 3.71 -1.10 1.79 0.11 -0.83 -4.94 120.40 120.64 2pku s VAL 23 Ca 0.01 -0.41 -0.18 0.00 -2.93 0.00 0.00 61.98 58.47 2pku s VAL 23 Cb -0.15 -2.64 0.12 0.00 -1.53 0.00 0.00 36.38 32.18 2pku s VAL 23 CO -0.08 0.47 1.39 -0.89 -3.33 0.00 0.00 175.10 172.66 2pku s THR 24 N 0.65 4.57 0.76 5.04 2.01 -1.26 -1.77 115.64 125.64 2pku s THR 24 Ca -0.03 -1.83 -0.10 0.00 0.31 0.00 0.00 61.69 60.05 2pku s THR 24 Cb -0.15 -4.95 0.07 0.00 0.01 0.00 0.00 72.50 67.49 2pku s THR 24 CO 0.02 -1.72 1.11 -0.76 -0.69 0.00 0.00 174.62 172.58 2pku s LEU 25 N 3.03 2.65 0.10 4.42 1.43 0.24 -4.81 118.68 125.74 2pku s LEU 25 Ca 0.42 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.24 2pku s LEU 25 Cb -0.02 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2pku s LEU 25 CO -0.03 -1.78 -0.23 -1.10 0.23 0.00 0.00 176.35 173.43 2pku s GLN 26 N -5.43 1.64 0.70 1.70 -0.21 -1.26 0.13 119.66 116.92 2pku s GLN 26 Ca 0.61 -1.23 -0.12 0.00 0.02 0.00 0.00 55.36 54.65 2pku s GLN 26 Cb -0.11 -2.01 0.01 0.00 1.00 0.00 0.00 33.01 31.91 2pku s GLN 26 CO 0.47 0.48 1.07 0.15 -2.12 0.00 0.00 175.29 175.34 2pku s LYS 27 N -1.90 2.81 0.18 2.91 -0.14 -0.91 -4.66 119.74 118.03 2pku s LYS 27 Ca 0.15 1.08 0.01 0.00 -1.36 0.00 0.00 55.97 55.85 2pku s LYS 27 Cb -0.10 -1.97 0.03 0.00 -1.68 0.00 0.00 37.83 34.11 2pku s LYS 27 CO 0.07 -1.21 0.24 -3.47 -0.76 0.00 0.00 175.35 170.22 2pku n ASP 28 N -3.00 0.40 0.24 2.83 2.03 -1.25 -4.90 116.55 112.90 2pku n ASP 28 Ca 0.08 -1.32 0.08 0.00 0.52 0.00 0.00 54.79 54.15 2pku n ASP 28 Cb 0.53 -0.15 0.60 0.00 -0.72 0.00 0.00 41.12 41.38 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 -0.24 1.61 -0.82 -1.67 0.00 -1.98 -2.24 119.26 113.93 2pku h ALA 29 Ca -0.08 -0.13 -0.50 0.00 0.00 0.00 0.00 54.91 54.20 2pku h ALA 29 Cb 0.32 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.81 2pku h ALA 29 CO 0.09 0.18 0.38 0.00 0.00 0.00 0.00 179.25 179.90 2pku n GLN 30 N -4.15 2.46 -4.32 0.00 10.64 -1.26 -4.91 117.38 115.84 2pku n GLN 30 Ca -0.02 -3.29 -0.37 0.00 -1.83 0.00 0.00 57.00 51.49 2pku n GLN 30 Cb 0.22 -2.15 -0.05 0.00 -0.86 0.00 0.00 30.24 27.40 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 -1.02 -2.10 -3.54 2.61 6.94 -0.84 -4.92 115.26 112.39 2pku n ASN 31 Ca 0.53 -1.12 -0.24 0.00 -0.02 0.00 0.00 54.58 53.73 2pku n ASN 31 Cb 1.11 -2.28 -0.15 0.00 -2.36 0.00 0.00 39.78 36.11 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 -7.25 0.24 0.38 -4.53 1.43 -1.26 -4.57 118.68 103.12 2pku s LEU 32 Ca 0.63 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 2pku s LEU 32 Cb -0.35 -0.06 0.76 0.00 0.03 0.00 0.00 46.19 46.56 2pku s LEU 32 CO 0.97 -0.37 2.00 0.16 0.23 0.00 0.00 176.35 179.34 2pku h ILE 33 N 6.38 1.08 -0.70 -0.59 3.07 -1.91 -3.32 117.51 121.51 2pku h ILE 33 Ca -0.17 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.00 2pku h ILE 33 Cb 1.10 0.31 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 2pku h ILE 33 CO 0.34 0.13 0.00 0.61 -1.05 0.00 0.00 178.15 178.18 2pku n GLY 34 N -1.46 -0.44 3.62 0.16 0.00 -1.26 -3.28 105.19 102.53 2pku n GLY 34 Ca 0.07 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.08 -0.72 0.13 -0.61 -4.36 -1.26 -4.29 121.20 110.02 2pku s ILE 35 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 60.65 60.16 2pku s ILE 35 Cb 0.00 -1.00 -0.08 0.00 1.25 0.00 0.00 42.46 42.63 2pku s ILE 35 CO 0.00 0.00 0.71 -0.55 0.24 0.00 0.00 174.94 175.34 2pku s SER 36 N 2.56 7.28 0.29 4.36 0.15 -1.07 -4.98 113.70 122.29 2pku s SER 36 Ca -0.07 1.52 0.02 0.00 0.70 0.00 0.00 55.95 58.13 2pku s SER 36 Cb -0.10 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2pku s SER 36 CO -0.19 0.23 0.13 0.27 1.20 0.00 0.00 173.24 174.88 2pku s ILE 37 N -1.11 0.43 -0.30 6.45 -5.25 -1.26 0.57 121.20 120.74 2pku s ILE 37 Ca 0.34 -2.00 -0.11 0.00 -0.99 0.00 0.00 60.65 57.88 2pku s ILE 37 Cb -0.22 -2.55 0.13 0.00 2.95 0.00 0.00 42.46 42.76 2pku s ILE 37 CO 0.24 0.00 0.69 -0.83 -1.79 0.00 0.00 174.94 173.25 2pku s GLY 38 N -3.36 -0.65 -0.23 6.27 0.00 0.24 -4.81 107.32 104.78 2pku s GLY 38 Ca 0.36 2.44 -0.28 0.00 0.00 0.00 0.00 44.72 47.24 2pku s GLY 38 CO 0.16 2.98 1.07 -0.32 0.00 0.00 0.00 173.10 176.99 2pku s GLY 39 N 2.64 -0.14 0.00 0.20 0.00 -1.26 -1.69 107.32 107.06 2pku s GLY 39 Ca -0.06 2.46 0.00 0.00 0.00 0.00 0.00 44.72 47.11 2pku s GLY 39 CO -0.19 1.42 0.00 0.61 0.00 0.00 0.00 173.10 174.94 2pku n GLY 40 N 1.34 0.96 0.63 0.20 0.00 0.31 -2.68 105.19 105.96 2pku n GLY 40 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.83 0.07 4.61 0.00 -0.86 -3.78 120.51 118.38 2pku n ALA 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pku n ALA 41 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2pku n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2pku h GLN 42 N 0.00 0.40 0.01 0.00 7.50 -1.99 -1.94 115.11 119.09 2pku h GLN 42 Ca 0.00 -0.45 -0.31 0.00 0.50 0.00 0.00 58.65 58.39 2pku h GLN 42 Cb 0.00 0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.61 2pku h GLN 42 CO 0.00 1.12 -1.82 0.66 -1.50 0.00 0.00 178.83 177.29 2pku n TYR 43 N -3.73 0.91 -3.01 2.96 4.02 -1.26 -4.74 117.16 112.31 2pku n TYR 43 Ca -0.07 0.31 -0.13 0.00 -0.01 0.00 0.00 57.90 58.00 2pku n TYR 43 Cb 0.85 -1.16 -0.03 0.00 -0.02 0.00 0.00 39.34 38.98 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pku h PRO 45 N 5.24 0.00 -6.49 0.00 0.13 -1.54 0.92 132.00 130.25 2pku h PRO 45 Ca 0.14 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.74 2pku h PRO 45 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 2pku h PRO 45 CO 0.16 0.13 0.72 0.00 -0.23 0.00 0.00 178.00 178.78 2pku s LEU 47 N 1.42 4.21 0.03 0.00 2.01 -1.26 -4.28 118.68 120.81 2pku s LEU 47 Ca 0.63 0.22 -0.01 0.00 0.01 0.00 0.00 54.13 54.98 2pku s LEU 47 Cb -0.34 -2.73 -0.03 0.00 0.01 0.00 0.00 46.19 43.10 2pku s LEU 47 CO 0.29 0.20 -0.02 -0.31 1.01 0.00 0.00 176.35 177.52 2pku s TYR 48 N -1.42 0.35 0.60 0.29 1.51 -0.68 -3.76 117.35 114.23 2pku s TYR 48 Ca 0.31 -0.72 -0.08 0.00 -1.01 0.00 0.00 57.07 55.58 2pku s TYR 48 Cb -0.13 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 2pku s TYR 48 CO 0.24 -0.27 0.94 0.42 -1.11 0.00 0.00 175.55 175.77 2pku s ILE 49 N -2.41 4.09 0.01 2.71 1.01 -1.15 0.83 121.20 126.30 2pku s ILE 49 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2pku s ILE 49 Cb -0.03 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2pku s ILE 49 CO -0.04 -0.71 0.00 0.52 0.00 0.00 0.00 174.94 174.70 2pku n VAL 50 N -2.64 0.16 -3.57 2.92 0.31 0.19 -4.58 118.33 111.13 2pku n VAL 50 Ca 0.04 0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.28 2pku n VAL 50 Cb 0.56 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.37 2pku n VAL 50 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2pku s GLN 51 N -1.13 0.82 0.50 5.55 0.74 -1.25 -3.70 119.66 121.19 2pku s GLN 51 Ca 0.00 0.36 -0.01 0.00 0.05 0.00 0.00 55.36 55.75 2pku s GLN 51 Cb 0.00 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.50 2pku s GLN 51 CO 0.00 -0.22 0.75 0.08 -0.55 0.00 0.00 175.29 175.34 2pku s VAL 52 N -0.80 3.79 -0.05 1.34 1.01 -1.26 -2.61 120.40 121.82 2pku s VAL 52 Ca -0.05 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2pku s VAL 52 Cb -0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2pku s VAL 52 CO 0.04 -0.35 -0.17 -0.36 0.00 0.00 0.00 175.10 174.27 2pku s PHE 53 N -2.70 2.61 0.89 5.22 0.08 -1.26 -5.01 117.98 117.81 2pku s PHE 53 Ca 0.51 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 2pku s PHE 53 Cb -0.10 -1.61 0.13 0.00 -0.57 0.00 0.00 43.02 40.87 2pku s PHE 53 CO 0.40 0.10 1.13 -0.25 -0.10 0.00 0.00 175.22 176.50 2pku n ASP 54 N 2.43 0.42 -0.35 1.36 8.00 -1.26 -2.91 116.55 124.24 2pku n ASP 54 Ca -0.17 0.46 -0.05 0.00 0.71 0.00 0.00 54.79 55.75 2pku n ASP 54 Cb 0.52 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.12 2pku n ASP 54 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pku n ASN 55 N -3.87 -4.56 -4.69 -2.24 3.02 -1.26 -5.00 115.26 96.65 2pku n ASN 55 Ca 0.12 0.11 -0.27 0.00 -0.03 0.00 0.00 54.58 54.51 2pku n ASN 55 Cb 0.52 -2.46 -0.07 0.00 -0.61 0.00 0.00 39.78 37.15 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 -1.83 3.91 0.52 3.41 -4.23 -1.15 -4.97 115.64 111.31 2pku s THR 56 Ca 0.00 -1.26 0.18 0.00 -1.18 0.00 0.00 61.69 59.43 2pku s THR 56 Cb 0.00 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.20 2pku s THR 56 CO 0.00 -0.05 2.10 1.55 -0.54 0.00 0.00 174.62 177.68 2pku h PRO 57 N 2.84 0.02 0.01 3.99 0.13 -1.85 0.72 132.00 137.85 2pku h PRO 57 Ca -0.47 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 2pku h PRO 57 Cb 1.19 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2pku h PRO 57 CO 0.59 0.01 -0.89 0.00 -0.23 0.00 0.00 178.00 177.48 2pku h ALA 58 N 1.92 0.52 0.00 -0.56 0.00 -1.81 -2.05 119.26 117.27 2pku h ALA 58 Ca 0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 2pku h ALA 58 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2pku h ALA 58 CO -0.00 0.95 -1.30 0.00 0.00 0.00 0.00 179.25 178.90 2pku h ALA 59 N 0.99 0.62 0.16 0.00 0.00 -1.44 -3.00 119.26 116.60 2pku h ALA 59 Ca -0.04 -0.63 -0.30 0.00 0.00 0.00 0.00 54.91 53.94 2pku h ALA 59 Cb 1.53 0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.54 2pku h ALA 59 CO 0.13 0.69 -1.33 -0.07 0.00 0.00 0.00 179.25 178.66 2pku h LEU 60 N 0.00 0.54 0.00 0.00 3.38 0.35 -3.36 115.31 116.23 2pku h LEU 60 Ca -0.12 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 2pku h LEU 60 Cb 1.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2pku h LEU 60 CO 0.03 1.47 -0.00 -0.78 0.09 0.00 0.00 178.44 179.25 2pku h ASP 61 N 0.09 -0.00 -1.35 -0.43 3.58 -1.52 -3.50 116.42 113.29 2pku h ASP 61 Ca -0.18 -0.86 0.00 0.00 0.42 0.00 0.00 57.03 56.42 2pku h ASP 61 Cb 2.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.08 2pku h ASP 61 CO 0.22 0.86 0.00 0.61 -2.88 0.00 0.00 179.24 178.05 2pku n GLY 62 N 1.24 -0.96 2.05 -0.78 0.00 -1.13 -5.08 105.19 100.54 2pku n GLY 62 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.07 0.00 -3.24 2.61 -1.04 -1.25 -5.10 114.28 106.18 2pku n THR 63 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2pku n THR 63 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.34 4.88 0.00 12.58 -7.23 -1.26 -5.02 120.40 123.00 2pku s VAL 64 Ca 0.00 1.21 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 2pku s VAL 64 Cb 0.00 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2pku s VAL 64 CO 0.00 0.46 0.00 0.00 -0.31 0.00 0.00 175.10 175.25 2pku n ALA 65 N 2.43 0.00 -1.70 1.32 0.00 -1.26 -4.78 120.51 116.52 2pku n ALA 65 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 2pku n ALA 65 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.00 1.18 -1.21 0.00 0.00 -1.24 -3.29 120.51 112.95 2pku n ALA 66 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2pku n ALA 66 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 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 0.88 0.76 3.26 0.00 0.00 -1.26 -5.04 105.19 103.80 2pku n GLY 67 Ca 0.09 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.71 2.12 -0.37 1.61 1.01 -1.21 -3.79 116.67 113.34 2pku s ASP 68 Ca 0.00 -0.83 0.01 0.00 0.71 0.00 0.00 52.55 52.43 2pku s ASP 68 Cb 0.00 -0.08 0.10 0.00 1.01 0.00 0.00 42.92 43.95 2pku s ASP 68 CO 0.00 -0.13 0.11 -0.70 0.21 0.00 0.00 175.17 174.66 2pku s GLU 69 N -2.75 1.79 0.05 8.23 -6.30 -0.37 -2.93 118.70 116.41 2pku s GLU 69 Ca 0.11 -1.81 -0.31 0.00 -2.50 0.00 0.00 54.97 50.46 2pku s GLU 69 Cb -0.05 -3.37 -0.06 0.00 0.00 0.00 0.00 34.13 30.65 2pku s GLU 69 CO 0.04 -0.97 1.41 -1.50 0.02 0.00 0.00 175.26 174.25 2pku s ILE 70 N 1.03 3.55 -0.15 -3.70 1.10 -1.25 -0.47 121.20 121.32 2pku s ILE 70 Ca 0.08 1.01 0.16 0.00 -0.51 0.00 0.00 60.65 61.40 2pku s ILE 70 Cb -0.21 -3.65 0.35 0.00 0.15 0.00 0.00 42.46 39.10 2pku s ILE 70 CO -0.06 0.03 1.20 1.07 -2.11 0.00 0.00 174.94 175.07 2pku n THR 71 N 4.40 0.34 0.00 4.00 5.66 -0.67 -4.47 114.28 123.55 2pku n THR 71 Ca 0.13 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 59.83 2pku n THR 71 Cb 0.43 0.97 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 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 -0.37 2.12 2.97 1.09 0.00 -1.23 -4.29 105.19 105.47 2pku n GLY 72 Ca -0.07 -0.43 -0.06 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 -2.00 -0.70 -1.73 1.61 1.01 -0.49 -1.28 120.40 116.83 2pku s VAL 73 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2pku s VAL 73 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2pku s VAL 73 CO 0.00 -0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.54 2pku n ASN 74 N 5.37 -5.60 0.00 3.32 3.02 0.14 -1.59 115.26 119.94 2pku n ASN 74 Ca -0.01 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2pku n ASN 74 Cb 0.50 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pku n GLY 75 N -0.97 3.08 3.77 7.41 0.00 -1.26 -5.00 105.19 112.22 2pku n GLY 75 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.17 4.02 -0.21 1.61 1.81 -0.62 -4.99 118.95 120.40 2pku s ARG 76 Ca 0.00 2.16 -0.18 0.00 -1.72 0.00 0.00 55.73 55.99 2pku s ARG 76 Cb 0.00 -2.80 -0.03 0.00 -0.45 0.00 0.00 34.95 31.67 2pku s ARG 76 CO 0.00 -0.45 0.53 -1.12 -0.68 0.00 0.00 175.30 173.57 2pku s SER 77 N -0.71 6.55 -0.13 0.23 0.01 -1.26 -1.39 113.70 117.01 2pku s SER 77 Ca 0.56 0.66 0.15 0.00 1.31 0.00 0.00 55.95 58.63 2pku s SER 77 Cb -0.38 -2.29 0.48 0.00 0.21 0.00 0.00 66.02 64.03 2pku s SER 77 CO 0.49 -0.20 1.39 2.30 0.41 0.00 0.00 173.24 177.63 2pku n ILE 78 N 4.64 1.90 0.18 1.44 -6.64 -1.26 -4.57 119.36 115.05 2pku n ILE 78 Ca -0.04 -1.59 0.03 0.00 -1.77 0.00 0.00 62.75 59.38 2pku n ILE 78 Cb 0.50 -0.02 0.39 0.00 -1.44 0.00 0.00 39.64 39.08 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 1.99 0.04 -1.55 6.28 1.57 -1.90 -3.13 116.57 119.87 2pku h LYS 79 Ca 0.00 -0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 58.15 2pku h LYS 79 Cb 1.25 -0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.16 2pku h LYS 79 CO 0.16 0.33 -0.40 0.41 -0.57 0.00 0.00 179.45 179.39 2pku n GLY 80 N -0.65 5.94 3.11 3.86 0.00 -1.26 -4.41 105.19 111.78 2pku n GLY 80 Ca -0.02 -2.71 -0.13 0.00 0.00 0.00 0.00 46.02 43.16 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 -3.64 0.67 0.69 1.61 -0.14 -1.18 -5.14 119.74 112.61 2pku s LYS 81 Ca 0.49 -0.95 -0.08 0.00 -1.36 0.00 0.00 55.97 54.07 2pku s LYS 81 Cb 0.41 -0.37 0.05 0.00 -1.68 0.00 0.00 37.83 36.23 2pku s LYS 81 CO -0.22 0.06 1.02 0.99 -0.76 0.00 0.00 175.35 176.44 2pku s THR 82 N -1.96 2.63 0.41 2.17 2.01 -1.26 -4.76 115.64 114.88 2pku s THR 82 Ca -0.03 -0.11 0.10 0.00 0.31 0.00 0.00 61.69 61.96 2pku s THR 82 Cb -0.06 -3.14 0.30 0.00 0.01 0.00 0.00 72.50 69.62 2pku s THR 82 CO -0.00 -0.15 2.00 0.07 -0.69 0.00 0.00 174.62 175.84 2pku h LYS 83 N -0.58 0.51 -0.10 4.92 2.10 -1.60 -0.88 116.57 120.94 2pku h LYS 83 Ca -0.45 -0.03 -0.22 0.00 -2.00 0.00 0.00 60.65 57.95 2pku h LYS 83 Cb 1.30 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2pku h LYS 83 CO 0.61 0.34 -0.81 0.28 -2.00 0.00 0.00 179.45 177.87 2pku h VAL 84 N 0.52 1.31 -0.01 0.07 2.07 -1.92 -2.18 116.25 116.11 2pku h VAL 84 Ca 0.24 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 2pku h VAL 84 Cb 0.30 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2pku h VAL 84 CO -0.07 0.65 0.00 -0.33 0.02 0.00 0.00 177.57 177.84 2pku h GLU 85 N 0.43 0.02 -0.54 1.57 4.39 -1.66 -1.50 114.58 117.29 2pku h GLU 85 Ca -0.06 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2pku h GLU 85 Cb 1.43 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 2pku h GLU 85 CO 0.16 0.24 0.24 0.28 -1.16 0.00 0.00 179.01 178.77 2pku h VAL 86 N -0.20 1.21 -0.67 3.13 2.07 -1.28 -1.23 116.25 119.28 2pku h VAL 86 Ca 0.00 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2pku h VAL 86 Cb 0.23 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2pku h VAL 86 CO 0.00 0.24 0.41 0.00 0.02 0.00 0.00 177.57 178.24 2pku h ALA 87 N 1.08 0.87 -0.29 1.67 0.00 -1.33 -2.01 119.26 119.26 2pku h ALA 87 Ca 0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2pku h ALA 87 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2pku h ALA 87 CO -0.02 0.17 -0.25 0.87 0.00 0.00 0.00 179.25 180.02 2pku h LYS 88 N 0.81 0.56 -0.15 0.00 6.56 -1.02 -2.45 116.57 120.89 2pku h LYS 88 Ca 0.27 -0.22 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 2pku h LYS 88 Cb 0.02 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 2pku h LYS 88 CO -0.11 0.77 0.06 1.98 -2.06 0.00 0.00 179.45 180.09 2pku h MET 89 N 0.50 0.13 0.13 3.15 4.05 -0.52 -0.87 114.93 121.49 2pku h MET 89 Ca 0.07 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2pku h MET 89 Cb 0.70 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2pku h MET 89 CO 0.05 0.09 -0.06 0.82 0.23 0.00 0.00 176.91 178.04 2pku h ILE 90 N 0.14 0.97 -0.25 1.77 1.08 -1.35 -1.78 117.51 118.08 2pku h ILE 90 Ca 0.06 -0.39 0.07 0.00 -0.39 0.00 0.00 64.86 64.22 2pku h ILE 90 Cb 0.03 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 2pku h ILE 90 CO -0.06 0.09 0.26 1.56 -0.69 0.00 0.00 178.15 179.31 2pku h GLN 91 N -0.35 0.00 0.06 2.37 4.20 -1.33 -1.61 115.11 118.45 2pku h GLN 91 Ca -0.02 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2pku h GLN 91 Cb 0.29 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.08 2pku h GLN 91 CO 0.03 0.00 -0.57 0.93 -0.67 0.00 0.00 178.83 178.55 2pku h GLU 92 N 0.00 0.27 -7.09 1.46 4.39 -0.72 -3.46 114.58 109.43 2pku h GLU 92 Ca 0.12 -0.38 -0.55 0.00 0.34 0.00 0.00 59.36 58.88 2pku h GLU 92 Cb 0.63 0.13 0.17 0.00 -0.10 0.00 0.00 28.75 29.58 2pku h GLU 92 CO -0.00 1.13 0.36 0.28 -1.16 0.00 0.00 179.01 179.61 2pku n VAL 93 N -4.27 3.61 -4.03 3.13 0.31 -0.61 -5.04 118.33 111.44 2pku n VAL 93 Ca -0.12 -0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 2pku n VAL 93 Cb 0.69 -1.31 -0.11 0.00 -0.91 0.00 0.00 33.84 32.20 2pku n VAL 93 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2pku s LYS 94 N -3.55 0.43 2.32 5.55 -0.14 -1.26 -4.97 119.74 118.12 2pku s LYS 94 Ca 0.78 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 2pku s LYS 94 Cb -0.35 -0.11 0.00 0.00 -1.68 0.00 0.00 37.83 35.69 2pku s LYS 94 CO 0.46 0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.46 2pku n GLY 95 N 1.54 -0.50 3.56 -3.33 0.00 -1.26 -4.66 105.19 100.54 2pku n GLY 95 Ca -0.23 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 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 2.22 0.16 1.61 1.03 -1.26 -2.13 118.70 120.34 2pku s GLU 96 Ca 0.00 0.09 -0.25 0.00 0.03 0.00 0.00 54.97 54.84 2pku s GLU 96 Cb 0.00 -4.91 -0.08 0.00 -0.80 0.00 0.00 34.13 28.34 2pku s GLU 96 CO 0.00 -3.69 0.77 0.54 -1.33 0.00 0.00 175.26 171.55 2pku s VAL 97 N 11.66 4.37 -0.08 1.83 0.11 0.34 -4.83 120.40 133.80 2pku s VAL 97 Ca 0.78 1.70 -0.01 0.00 -2.93 0.00 0.00 61.98 61.53 2pku s VAL 97 Cb -0.09 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 2pku s VAL 97 CO 0.04 0.52 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.42 2pku s THR 98 N -1.14 4.03 -0.06 5.04 2.01 -1.26 0.80 115.64 125.06 2pku s THR 98 Ca 0.36 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 2pku s THR 98 Cb -0.23 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.63 2pku s THR 98 CO 0.26 0.60 -0.00 -0.63 -0.69 0.00 0.00 174.62 174.16 2pku s ILE 99 N -0.84 0.34 -0.49 1.82 1.09 -0.73 0.28 121.20 122.68 2pku s ILE 99 Ca 0.13 0.10 -0.20 0.00 -1.10 0.00 0.00 60.65 59.57 2pku s ILE 99 Cb -0.11 -0.47 0.04 0.00 -1.06 0.00 0.00 42.46 40.86 2pku s ILE 99 CO 0.02 0.23 0.67 -1.00 -0.10 0.00 0.00 174.94 174.76 2pku s HIS 100 N 1.65 3.02 -0.01 3.97 3.76 -0.40 -1.97 115.29 125.31 2pku s HIS 100 Ca -0.00 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 2pku s HIS 100 Cb -0.13 -3.53 -0.03 0.00 1.11 0.00 0.00 32.58 30.00 2pku s HIS 100 CO -0.04 -1.01 -0.01 1.52 -0.85 0.00 0.00 174.74 174.35 2pku s TYR 101 N 2.88 3.04 -0.32 1.40 1.13 0.17 -1.66 117.35 123.99 2pku s TYR 101 Ca 0.20 0.07 -0.07 0.00 -1.41 0.00 0.00 57.07 55.85 2pku s TYR 101 Cb -0.16 -1.67 0.02 0.00 -1.10 0.00 0.00 41.96 39.04 2pku s TYR 101 CO 0.16 0.44 0.11 -0.80 -2.51 0.00 0.00 175.55 172.95 2pku s ASN 102 N -1.44 5.29 0.10 -0.18 0.01 0.38 -0.70 114.94 118.40 2pku s ASN 102 Ca 0.18 -0.86 -0.31 0.00 -0.71 0.00 0.00 52.86 51.16 2pku s ASN 102 Cb -0.11 -1.90 -0.07 0.00 0.41 0.00 0.00 41.25 39.57 2pku s ASN 102 CO 0.09 -0.26 1.35 -0.75 -1.51 0.00 0.00 177.10 176.02 2pku s LYS 103 N 1.48 4.34 0.00 -0.60 2.20 -0.31 -1.24 119.74 125.61 2pku s LYS 103 Ca 0.01 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 2pku s LYS 103 Cb -0.18 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2pku s LYS 103 CO 0.03 -0.41 0.43 1.28 -0.36 0.00 0.00 175.35 176.33