#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 5.13 -0.62 2.28 1.01 -0.85 -4.88 120.40 122.47 2pku s VAL 19 Ca 0.00 -2.07 -0.26 0.00 0.00 0.00 0.00 61.98 59.64 2pku s VAL 19 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2pku s VAL 19 CO 0.00 -0.93 1.92 -2.16 0.00 0.00 0.00 175.10 173.94 2pku s PRO 20 N 0.82 2.56 -0.03 2.72 0.04 -1.26 -2.68 135.00 137.17 2pku s PRO 20 Ca 0.11 0.63 0.06 0.00 0.04 0.00 0.00 61.00 61.84 2pku s PRO 20 Cb -0.20 -4.45 -0.01 0.00 0.04 0.00 0.00 34.50 29.87 2pku s PRO 20 CO -0.03 -2.84 -0.22 0.20 0.04 0.00 0.00 177.00 174.16 2pku s GLY 21 N 8.50 1.09 -0.40 0.56 0.00 -0.84 -5.02 107.32 111.21 2pku s GLY 21 Ca 0.70 -0.91 -0.05 0.00 0.00 0.00 0.00 44.72 44.46 2pku s GLY 21 CO 0.20 -0.66 0.20 -1.59 0.00 0.00 0.00 173.10 171.25 2pku s LYS 22 N -0.32 2.29 0.32 2.90 -2.85 -1.26 -1.44 119.74 119.37 2pku s LYS 22 Ca 0.03 -1.62 -0.10 0.00 -1.00 0.00 0.00 55.97 53.28 2pku s LYS 22 Cb -0.10 -3.61 -0.07 0.00 -2.06 0.00 0.00 37.83 31.99 2pku s LYS 22 CO 0.01 -0.98 0.66 0.54 0.10 0.00 0.00 175.35 175.68 2pku s VAL 23 N 1.26 4.85 -0.33 1.79 0.11 -0.49 -4.85 120.40 122.74 2pku s VAL 23 Ca 0.04 0.53 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 2pku s VAL 23 Cb -0.23 -3.68 0.09 0.00 -1.53 0.00 0.00 36.38 31.04 2pku s VAL 23 CO -0.02 -0.29 0.04 -0.89 -3.33 0.00 0.00 175.10 170.62 2pku s THR 24 N -2.08 2.40 -0.09 5.04 2.01 -1.26 -0.60 115.64 121.06 2pku s THR 24 Ca 0.49 -2.18 -0.01 0.00 0.31 0.00 0.00 61.69 60.31 2pku s THR 24 Cb -0.11 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2pku s THR 24 CO 0.25 -0.51 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.88 2pku s LEU 25 N 0.97 3.35 0.23 4.42 1.43 0.30 -4.85 118.68 124.54 2pku s LEU 25 Ca 0.07 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 2pku s LEU 25 Cb -0.20 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 2pku s LEU 25 CO -0.07 0.35 0.69 -1.10 0.23 0.00 0.00 176.35 176.45 2pku s GLN 26 N -0.71 4.14 0.67 1.70 1.11 -1.26 0.62 119.66 125.93 2pku s GLN 26 Ca 0.11 0.74 -0.18 0.00 0.01 0.00 0.00 55.36 56.05 2pku s GLN 26 Cb -0.11 -2.80 -0.00 0.00 -1.01 0.00 0.00 33.01 29.09 2pku s GLN 26 CO 0.02 0.36 1.29 1.63 0.01 0.00 0.00 175.29 178.60 2pku n LYS 27 N 0.51 1.02 -0.19 2.91 4.76 -0.60 -4.79 118.16 121.78 2pku n LYS 27 Ca -0.02 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2pku n LYS 27 Cb 0.52 -2.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.18 2pku n LYS 27 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2pku n ASP 28 N -2.05 0.00 0.13 4.39 -0.08 -1.26 -4.88 116.55 112.80 2pku n ASP 28 Ca 0.16 -0.85 0.02 0.00 -1.51 0.00 0.00 54.79 52.61 2pku n ASP 28 Cb 0.48 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.30 2pku n ASP 28 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pku h ALA 29 N -1.49 1.42 -0.76 -1.67 0.00 -1.96 -2.66 119.26 112.14 2pku h ALA 29 Ca 0.00 -0.26 -0.47 0.00 0.00 0.00 0.00 54.91 54.18 2pku h ALA 29 Cb 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 17.45 2pku h ALA 29 CO 0.00 0.41 0.26 0.00 0.00 0.00 0.00 179.25 179.92 2pku n GLN 30 N -4.20 2.47 -4.19 0.00 -0.00 -1.26 -4.93 117.38 105.27 2pku n GLN 30 Ca -0.01 -3.34 -0.31 0.00 -0.00 0.00 0.00 57.00 53.34 2pku n GLN 30 Cb 0.33 -2.12 -0.06 0.00 -0.00 0.00 0.00 30.24 28.39 2pku n GLN 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2pku n ASN 31 N -1.01 -0.53 -3.48 2.61 6.94 -1.00 -4.93 115.26 113.86 2pku n ASN 31 Ca 0.50 -1.13 -0.21 0.00 -0.02 0.00 0.00 54.58 53.73 2pku n ASN 31 Cb 1.07 -2.35 -0.13 0.00 -2.36 0.00 0.00 39.78 36.02 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 -7.20 0.02 0.51 -4.53 1.43 -1.26 -4.65 118.68 103.00 2pku s LEU 32 Ca 0.21 -0.66 0.19 0.00 -1.03 0.00 0.00 54.13 52.85 2pku s LEU 32 Cb -0.12 0.22 1.28 0.00 0.03 0.00 0.00 46.19 47.60 2pku s LEU 32 CO 0.95 -0.37 2.06 0.16 0.23 0.00 0.00 176.35 179.37 2pku h ILE 33 N 6.32 0.88 -1.22 -0.59 3.07 -1.92 -3.36 117.51 120.70 2pku h ILE 33 Ca -0.16 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2pku h ILE 33 Cb 1.10 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 2pku h ILE 33 CO 0.33 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 178.06 2pku n GLY 34 N -1.58 0.27 3.50 0.16 0.00 -1.26 -2.89 105.19 103.38 2pku n GLY 34 Ca 0.04 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.52 0.01 0.07 -0.61 -4.36 -1.26 -3.78 121.20 109.74 2pku s ILE 35 Ca 0.00 -0.04 0.05 0.00 -0.26 0.00 0.00 60.65 60.39 2pku s ILE 35 Cb 0.00 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 2pku s ILE 35 CO 0.00 -0.02 -0.03 -0.55 0.24 0.00 0.00 174.94 174.58 2pku s SER 36 N -0.21 4.85 0.24 4.36 0.15 -0.96 -5.01 113.70 117.11 2pku s SER 36 Ca -0.04 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2pku s SER 36 Cb -0.03 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 2pku s SER 36 CO 0.03 0.20 0.21 0.27 1.20 0.00 0.00 173.24 175.15 2pku s ILE 37 N -1.22 0.00 -0.26 6.45 -4.36 -1.26 -0.09 121.20 120.45 2pku s ILE 37 Ca 0.23 -1.94 -0.15 0.00 -0.26 0.00 0.00 60.65 58.53 2pku s ILE 37 Cb -0.11 -2.49 0.08 0.00 1.25 0.00 0.00 42.46 41.19 2pku s ILE 37 CO 0.15 0.00 0.64 -0.83 0.24 0.00 0.00 174.94 175.14 2pku s GLY 38 N -3.21 -0.58 0.01 6.27 0.00 0.12 -4.81 107.32 105.14 2pku s GLY 38 Ca 0.38 2.24 -0.29 0.00 0.00 0.00 0.00 44.72 47.05 2pku s GLY 38 CO 0.16 2.23 1.05 -0.32 0.00 0.00 0.00 173.10 176.22 2pku s GLY 39 N 1.50 -0.35 0.00 0.20 0.00 -1.26 -1.48 107.32 105.94 2pku s GLY 39 Ca -0.09 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2pku s GLY 39 CO -0.17 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.75 2pku n GLY 40 N -0.34 0.61 2.05 0.20 0.00 0.30 -4.12 105.19 103.89 2pku n GLY 40 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.06 4.61 0.00 -0.91 -3.98 120.51 117.18 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 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2pku n ALA 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pku n GLN 42 N -2.98 0.37 -0.04 0.00 1.13 -1.26 -3.60 117.38 111.01 2pku n GLN 42 Ca 0.00 0.46 -0.13 0.00 -1.94 0.00 0.00 57.00 55.40 2pku n GLN 42 Cb 0.00 -1.51 -0.07 0.00 0.11 0.00 0.00 30.24 28.77 2pku n GLN 42 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 2pku h TYR 43 N -0.82 0.26 -2.70 1.08 -1.99 -2.03 -3.37 116.97 107.40 2pku h TYR 43 Ca 0.00 -0.07 -0.61 0.00 2.00 0.00 0.00 58.73 60.05 2pku h TYR 43 Cb 0.44 -0.06 -0.42 0.00 2.00 0.00 0.00 36.73 38.69 2pku h TYR 43 CO -0.19 0.58 -0.59 0.00 -0.00 0.00 0.00 178.16 177.96 2pku n PRO 45 N 1.51 0.08 -2.76 0.00 -0.04 -1.24 0.11 135.00 132.67 2pku n PRO 45 Ca 0.24 0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 63.61 2pku n PRO 45 Cb 0.38 -1.63 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 2pku n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pku s LEU 47 N -2.79 2.87 -0.07 0.00 2.01 -1.26 -3.94 118.68 115.50 2pku s LEU 47 Ca 0.58 -0.64 -0.14 0.00 0.01 0.00 0.00 54.13 53.94 2pku s LEU 47 Cb -0.14 -1.56 0.03 0.00 0.01 0.00 0.00 46.19 44.53 2pku s LEU 47 CO 0.18 0.11 0.35 -0.31 1.01 0.00 0.00 176.35 177.69 2pku s TYR 48 N -1.70 -0.29 0.46 0.29 2.02 -0.55 -4.37 117.35 113.20 2pku s TYR 48 Ca 0.24 0.62 -0.16 0.00 -0.37 0.00 0.00 57.07 57.40 2pku s TYR 48 Cb -0.09 0.12 -0.08 0.00 -0.40 0.00 0.00 41.96 41.51 2pku s TYR 48 CO 0.14 -0.31 0.91 0.42 -1.57 0.00 0.00 175.55 175.15 2pku s ILE 49 N -0.63 4.56 -0.07 2.71 1.01 -1.14 0.15 121.20 127.80 2pku s ILE 49 Ca -0.07 1.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.65 2pku s ILE 49 Cb -0.04 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2pku s ILE 49 CO 0.03 -0.53 -0.15 0.52 0.00 0.00 0.00 174.94 174.82 2pku n VAL 50 N -1.20 0.74 -3.87 2.92 0.31 0.87 -4.29 118.33 113.81 2pku n VAL 50 Ca 0.06 0.30 -0.05 0.00 -0.01 0.00 0.00 64.34 64.63 2pku n VAL 50 Cb 0.54 -1.82 0.02 0.00 -0.91 0.00 0.00 33.84 31.68 2pku n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pku s GLN 51 N -1.88 1.68 0.34 5.55 1.03 -1.26 -3.39 119.66 121.74 2pku s GLN 51 Ca -0.12 -1.10 0.09 0.00 0.04 0.00 0.00 55.36 54.28 2pku s GLN 51 Cb 0.02 0.46 -0.06 0.00 0.03 0.00 0.00 33.01 33.46 2pku s GLN 51 CO 0.18 -0.79 -0.04 0.08 -2.54 0.00 0.00 175.29 172.18 2pku s VAL 52 N -2.08 2.45 0.19 3.63 1.01 -1.26 -2.27 120.40 122.06 2pku s VAL 52 Ca 0.20 -2.08 0.07 0.00 0.00 0.00 0.00 61.98 60.17 2pku s VAL 52 Cb -0.04 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2pku s VAL 52 CO 0.08 -0.20 0.06 -0.36 0.00 0.00 0.00 175.10 174.68 2pku s PHE 53 N -2.56 2.95 0.50 5.22 0.40 -1.25 -5.02 117.98 118.22 2pku s PHE 53 Ca 0.34 -0.11 -0.19 0.00 -0.60 0.00 0.00 56.93 56.37 2pku s PHE 53 Cb 0.01 -1.40 -0.08 0.00 0.51 0.00 0.00 43.02 42.07 2pku s PHE 53 CO 0.18 0.53 1.02 0.34 0.70 0.00 0.00 175.22 178.00 2pku s ASP 54 N -3.19 6.34 -1.73 1.36 2.15 -1.26 -3.51 116.67 116.83 2pku s ASP 54 Ca 0.30 1.84 0.00 0.00 0.43 0.00 0.00 52.55 55.12 2pku s ASP 54 Cb -0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2pku s ASP 54 CO 0.21 -0.78 0.00 0.59 -0.17 0.00 0.00 175.17 175.02 2pku n ASN 55 N -1.18 -5.33 -4.67 -0.34 3.02 -1.26 -4.99 115.26 100.50 2pku n ASN 55 Ca 0.09 0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.50 2pku n ASN 55 Cb 0.53 -4.42 -0.08 0.00 -0.61 0.00 0.00 39.78 35.20 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 -2.84 3.88 0.36 3.41 -4.23 -1.23 -4.99 115.64 110.00 2pku s THR 56 Ca 0.00 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 2pku s THR 56 Cb 0.00 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.25 2pku s THR 56 CO 0.00 0.07 1.98 1.55 -0.54 0.00 0.00 174.62 177.68 2pku h PRO 57 N 3.29 0.76 -0.19 3.99 0.13 -1.88 0.25 132.00 138.36 2pku h PRO 57 Ca -0.48 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.52 2pku h PRO 57 Cb 1.17 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2pku h PRO 57 CO 0.58 0.50 -0.28 0.00 -0.23 0.00 0.00 178.00 178.57 2pku h ALA 58 N 1.61 1.18 0.00 -0.56 0.00 -1.81 -1.84 119.26 117.84 2pku h ALA 58 Ca 0.28 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2pku h ALA 58 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pku h ALA 58 CO -0.08 0.53 -0.47 0.00 0.00 0.00 0.00 179.25 179.23 2pku h ALA 59 N 1.39 0.10 -0.60 0.00 0.00 -1.54 -2.56 119.26 116.05 2pku h ALA 59 Ca 0.04 -0.75 0.11 0.00 0.00 0.00 0.00 54.91 54.32 2pku h ALA 59 Cb 0.66 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2pku h ALA 59 CO 0.05 0.27 0.41 -0.07 0.00 0.00 0.00 179.25 179.90 2pku h LEU 60 N -1.00 0.31 0.02 0.00 3.38 -0.59 -0.80 115.31 116.63 2pku h LEU 60 Ca -0.13 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.60 2pku h LEU 60 Cb 1.08 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2pku h LEU 60 CO -0.08 0.18 -1.28 -0.78 0.09 0.00 0.00 178.44 176.58 2pku h ASP 61 N 0.35 0.07 -4.63 -0.43 1.82 -1.46 -3.50 116.42 108.63 2pku h ASP 61 Ca 0.28 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 2pku h ASP 61 Cb 0.64 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.59 2pku h ASP 61 CO -0.07 1.07 -0.99 0.61 -1.61 0.00 0.00 179.24 178.25 2pku n GLY 62 N 1.46 -4.35 1.15 -0.78 0.00 -0.31 -5.02 105.19 97.33 2pku n GLY 62 Ca -0.07 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 0.88 0.00 -5.05 2.61 5.66 -1.24 -5.07 114.28 112.07 2pku n THR 63 Ca -0.14 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 2pku n THR 63 Cb 0.22 -0.04 -0.15 0.00 -1.55 0.00 0.00 70.33 68.80 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 -1.57 1.84 0.00 1.08 -7.23 -1.26 -5.00 120.40 108.25 2pku s VAL 64 Ca 0.00 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2pku s VAL 64 Cb 0.00 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.40 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 2.34 0.00 -1.54 1.32 0.00 -1.26 -4.78 120.51 116.59 2pku n ALA 65 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 2pku n ALA 65 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 1.21 0.00 0.00 0.00 -1.22 -1.83 120.51 115.67 2pku n ALA 66 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2pku n ALA 66 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 16.56 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 6.09 4.20 3.77 0.00 0.00 -1.26 -5.00 105.19 112.98 2pku n GLY 67 Ca 0.37 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 6.11 -0.37 1.61 1.01 -0.76 -4.55 116.67 119.72 2pku s ASP 68 Ca 0.00 2.48 -0.07 0.00 0.71 0.00 0.00 52.55 55.67 2pku s ASP 68 Cb 0.00 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.37 2pku s ASP 68 CO 0.00 -0.97 0.17 -0.70 0.21 0.00 0.00 175.17 173.88 2pku s GLU 69 N -2.55 2.56 -0.01 8.23 2.12 -0.82 -2.87 118.70 125.35 2pku s GLU 69 Ca 0.62 -1.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 2pku s GLU 69 Cb -0.33 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 2pku s GLU 69 CO 0.41 -0.81 1.19 -1.50 -0.54 0.00 0.00 175.26 174.01 2pku s ILE 70 N 1.39 4.20 -0.07 -3.70 2.07 -1.26 -0.18 121.20 123.64 2pku s ILE 70 Ca 0.01 1.55 0.23 0.00 -1.41 0.00 0.00 60.65 61.03 2pku s ILE 70 Cb -0.21 -4.00 0.42 0.00 0.13 0.00 0.00 42.46 38.80 2pku s ILE 70 CO 0.02 0.05 1.15 1.07 -1.91 0.00 0.00 174.94 175.32 2pku n THR 71 N 4.33 0.30 0.00 4.00 5.66 0.21 -4.56 114.28 124.23 2pku n THR 71 Ca 0.10 -1.39 0.00 0.00 -3.05 0.00 0.00 64.05 59.71 2pku n THR 71 Cb 0.46 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 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 0.15 0.42 3.65 1.09 0.00 -1.19 -3.59 105.19 105.72 2pku n GLY 72 Ca 0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 2pku n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pku s VAL 73 N -2.00 0.00 -1.57 1.61 0.11 0.19 -3.13 120.40 115.61 2pku s VAL 73 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2pku s VAL 73 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2pku s VAL 73 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 2pku n ASN 74 N 2.96 -4.24 0.00 3.54 2.85 0.23 -1.08 115.26 119.52 2pku n ASN 74 Ca -0.16 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2pku n ASN 74 Cb 0.57 -3.79 0.00 0.00 1.24 0.00 0.00 39.78 37.79 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 -0.44 2.89 3.83 8.20 0.00 -1.26 -5.00 105.19 113.41 2pku n GLY 75 Ca -0.16 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 2pku n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pku s ARG 76 N 0.00 4.12 0.77 1.61 1.70 -0.24 -5.07 118.95 121.84 2pku s ARG 76 Ca 0.00 0.81 -0.12 0.00 -0.47 0.00 0.00 55.73 55.95 2pku s ARG 76 Cb 0.00 -2.51 0.05 0.00 -0.57 0.00 0.00 34.95 31.92 2pku s ARG 76 CO 0.00 0.19 1.10 -1.54 -1.08 0.00 0.00 175.30 173.97 2pku s SER 77 N -2.09 4.77 0.00 -2.89 1.04 -1.26 0.53 113.70 113.80 2pku s SER 77 Ca 0.53 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2pku s SER 77 Cb -0.12 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2pku s SER 77 CO 0.18 -1.78 0.66 2.30 0.98 0.00 0.00 173.24 175.58 2pku n ILE 78 N -3.30 0.36 0.20 -1.02 -6.64 -1.24 -4.74 119.36 102.98 2pku n ILE 78 Ca 0.07 -0.37 0.05 0.00 -1.77 0.00 0.00 62.75 60.73 2pku n ILE 78 Cb 0.57 0.85 0.49 0.00 -1.44 0.00 0.00 39.64 40.11 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 0.07 -0.95 6.28 1.57 -1.86 -2.56 116.57 119.13 2pku h LYS 79 Ca 0.00 -0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.13 2pku h LYS 79 Cb 0.78 -0.01 -0.31 0.00 0.08 0.00 0.00 32.23 32.77 2pku h LYS 79 CO 0.00 0.21 0.58 0.41 -0.57 0.00 0.00 179.45 180.08 2pku n GLY 80 N -1.07 5.85 3.05 3.86 0.00 -1.26 -4.51 105.19 111.10 2pku n GLY 80 Ca -0.02 -2.26 -0.11 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.75 0.51 0.84 1.61 1.02 -0.97 -5.15 119.74 113.86 2pku s LYS 81 Ca 0.62 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.64 2pku s LYS 81 Cb 0.49 -0.08 0.12 0.00 -0.52 0.00 0.00 37.83 37.84 2pku s LYS 81 CO 0.01 -0.01 1.19 0.95 -0.92 0.00 0.00 175.35 176.57 2pku s THR 82 N -2.06 2.05 0.35 2.17 -4.23 -1.26 -4.85 115.64 107.81 2pku s THR 82 Ca -0.07 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.44 2pku s THR 82 Cb -0.05 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.96 2pku s THR 82 CO -0.02 0.00 1.88 0.07 -0.54 0.00 0.00 174.62 176.01 2pku h LYS 83 N -1.16 0.42 -0.13 3.99 2.10 -1.72 -1.62 116.57 118.46 2pku h LYS 83 Ca -0.45 -0.09 -0.10 0.00 -2.00 0.00 0.00 60.65 58.01 2pku h LYS 83 Cb 1.29 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2pku h LYS 83 CO 0.55 0.50 -0.30 -0.24 -2.00 0.00 0.00 179.45 177.95 2pku h VAL 84 N 0.40 1.38 -0.74 0.07 3.04 -1.93 -1.70 116.25 116.76 2pku h VAL 84 Ca 0.08 -1.59 -0.01 0.00 -1.01 0.00 0.00 66.70 64.17 2pku h VAL 84 Cb 0.36 2.08 -0.04 0.00 -2.01 0.00 0.00 31.29 31.69 2pku h VAL 84 CO 0.02 0.47 0.42 -0.33 -1.01 0.00 0.00 177.57 177.14 2pku h GLU 85 N 0.01 1.03 0.04 4.17 4.39 -1.89 -0.71 114.58 121.62 2pku h GLU 85 Ca -0.00 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2pku h GLU 85 Cb 0.91 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2pku h GLU 85 CO 0.07 0.75 -0.02 0.28 -1.16 0.00 0.00 179.01 178.93 2pku h VAL 86 N 1.02 1.18 0.08 3.13 2.07 -1.32 -1.20 116.25 121.20 2pku h VAL 86 Ca 0.26 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2pku h VAL 86 Cb 0.01 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2pku h VAL 86 CO -0.04 0.18 -0.20 0.00 0.02 0.00 0.00 177.57 177.53 2pku h ALA 87 N 0.57 -0.31 -0.14 1.67 0.00 -1.18 -1.55 119.26 118.33 2pku h ALA 87 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pku h ALA 87 Cb 0.34 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2pku h ALA 87 CO 0.01 -0.72 0.09 0.87 0.00 0.00 0.00 179.25 179.50 2pku h LYS 88 N -0.36 0.18 -0.25 0.00 1.57 -1.17 -2.25 116.57 114.29 2pku h LYS 88 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2pku h LYS 88 Cb 0.40 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2pku h LYS 88 CO -0.13 0.12 0.13 1.98 -0.57 0.00 0.00 179.45 180.99 2pku h MET 89 N 0.19 0.35 0.13 3.15 4.05 -0.23 -0.94 114.93 121.61 2pku h MET 89 Ca 0.05 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2pku h MET 89 Cb -0.01 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2pku h MET 89 CO -0.01 0.33 -0.06 0.82 0.23 0.00 0.00 176.91 178.22 2pku h ILE 90 N 0.28 0.96 -0.28 1.77 1.08 -0.83 -1.77 117.51 118.72 2pku h ILE 90 Ca 0.09 -0.34 0.08 0.00 -0.39 0.00 0.00 64.86 64.30 2pku h ILE 90 Cb 0.09 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2pku h ILE 90 CO -0.01 0.08 0.21 1.56 -0.69 0.00 0.00 178.15 179.30 2pku h GLN 91 N -0.33 0.00 -0.10 2.37 4.20 -1.38 -1.04 115.11 118.83 2pku h GLN 91 Ca -0.02 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.47 2pku h GLN 91 Cb 0.26 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.05 2pku h GLN 91 CO 0.03 0.00 -0.84 0.93 -0.67 0.00 0.00 178.83 178.28 2pku h GLU 92 N 0.00 0.68 -7.16 1.46 4.39 -0.77 -3.45 114.58 109.72 2pku h GLU 92 Ca 0.13 -0.60 -0.54 0.00 0.34 0.00 0.00 59.36 58.69 2pku h GLU 92 Cb 0.54 0.14 0.16 0.00 -0.10 0.00 0.00 28.75 29.49 2pku h GLU 92 CO -0.00 1.21 0.43 0.08 -1.16 0.00 0.00 179.01 179.56 2pku s VAL 93 N -3.60 2.13 0.05 3.13 1.01 -0.40 -5.04 120.40 117.68 2pku s VAL 93 Ca -0.09 0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2pku s VAL 93 Cb 0.09 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2pku s VAL 93 CO 0.89 -0.03 -0.06 -0.54 0.00 0.00 0.00 175.10 175.36 2pku s LYS 94 N -3.75 0.56 3.45 2.72 -0.14 -1.26 -4.99 119.74 116.33 2pku s LYS 94 Ca 0.77 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 54.49 2pku s LYS 94 Cb -0.32 -0.16 0.00 0.00 -1.68 0.00 0.00 37.83 35.67 2pku s LYS 94 CO 0.44 0.00 0.00 0.41 -0.76 0.00 0.00 175.35 175.45 2pku n GLY 95 N 1.05 0.38 3.52 -3.33 0.00 -1.26 -4.63 105.19 100.93 2pku n GLY 95 Ca -0.20 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 3.31 0.53 1.61 -1.05 -1.26 -1.55 118.70 120.28 2pku s GLU 96 Ca 0.00 -0.72 -0.16 0.00 -0.15 0.00 0.00 54.97 53.93 2pku s GLU 96 Cb 0.00 -4.55 -0.07 0.00 -0.44 0.00 0.00 34.13 29.07 2pku s GLU 96 CO 0.00 -2.06 1.00 0.08 0.95 0.00 0.00 175.26 175.23 2pku s VAL 97 N 4.91 4.45 -0.03 1.83 1.01 0.20 -4.82 120.40 127.96 2pku s VAL 97 Ca 0.35 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2pku s VAL 97 Cb -0.08 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2pku s VAL 97 CO 0.06 -0.69 -0.10 -0.89 0.00 0.00 0.00 175.10 173.48 2pku s THR 98 N -2.63 0.85 -0.04 3.92 2.01 -1.26 0.11 115.64 118.61 2pku s THR 98 Ca 0.59 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2pku s THR 98 Cb -0.11 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.65 2pku s THR 98 CO 0.33 0.27 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.79 2pku s ILE 99 N 0.26 0.95 -0.55 1.82 1.09 0.23 0.74 121.20 125.75 2pku s ILE 99 Ca -0.05 -0.43 -0.17 0.00 -1.10 0.00 0.00 60.65 58.91 2pku s ILE 99 Cb -0.10 -0.85 0.12 0.00 -1.06 0.00 0.00 42.46 40.57 2pku s ILE 99 CO 0.01 0.30 0.55 -1.00 -0.10 0.00 0.00 174.94 174.70 2pku s HIS 100 N 0.34 3.19 0.37 3.97 3.76 -1.18 -1.40 115.29 124.34 2pku s HIS 100 Ca -0.07 -1.20 0.07 0.00 -0.15 0.00 0.00 55.06 53.72 2pku s HIS 100 Cb -0.11 -3.84 -0.01 0.00 1.11 0.00 0.00 32.58 29.72 2pku s HIS 100 CO 0.01 -1.09 0.42 1.52 -0.85 0.00 0.00 174.74 174.76 2pku s TYR 101 N 1.88 2.90 -0.16 1.40 1.13 -0.52 -0.61 117.35 123.35 2pku s TYR 101 Ca 0.05 -0.34 0.00 0.00 -1.41 0.00 0.00 57.07 55.37 2pku s TYR 101 Cb -0.28 -2.07 0.03 0.00 -1.10 0.00 0.00 41.96 38.54 2pku s TYR 101 CO 0.04 -0.07 -0.10 -0.80 -2.51 0.00 0.00 175.55 172.10 2pku s ASN 102 N -4.15 2.81 -0.20 -0.18 0.02 0.75 -1.99 114.94 111.99 2pku s ASN 102 Ca 0.47 -0.60 -0.29 0.00 -1.02 0.00 0.00 52.86 51.42 2pku s ASN 102 Cb -0.07 -1.08 0.00 0.00 0.02 0.00 0.00 41.25 40.12 2pku s ASN 102 CO 0.30 -0.12 1.10 -0.54 0.02 0.00 0.00 177.10 177.86 2pku s LYS 103 N 1.53 4.27 0.00 -0.60 1.02 -1.09 -1.95 119.74 122.92 2pku s LYS 103 Ca 0.03 1.45 0.15 0.00 0.02 0.00 0.00 55.97 57.61 2pku s LYS 103 Cb -0.14 -3.66 0.12 0.00 -0.52 0.00 0.00 37.83 33.62 2pku s LYS 103 CO -0.09 -0.62 0.96 1.28 -0.92 0.00 0.00 175.35 175.96