#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 3.69 -0.21 2.28 1.01 -0.77 -4.92 120.40 121.48 2pku s VAL 19 Ca 0.00 -2.84 -0.37 0.00 0.00 0.00 0.00 61.98 58.78 2pku s VAL 19 Cb 0.00 -3.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.83 2pku s VAL 19 CO 0.00 -0.86 1.88 -2.65 0.00 0.00 0.00 175.10 173.47 2pku n PRO 20 N 3.64 1.60 -3.75 2.72 -0.02 -1.26 -3.09 135.00 134.83 2pku n PRO 20 Ca 0.07 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2pku n PRO 20 Cb 0.38 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 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 4.43 -0.05 -0.21 -1.23 0.00 -0.17 -5.02 107.32 105.08 2pku s GLY 21 Ca 0.98 0.68 -0.01 0.00 0.00 0.00 0.00 44.72 46.36 2pku s GLY 21 CO 0.57 0.95 -0.11 -1.59 0.00 0.00 0.00 173.10 172.92 2pku s LYS 22 N 1.07 3.07 0.04 2.90 0.00 -1.26 0.19 119.74 125.75 2pku s LYS 22 Ca -0.08 -0.81 0.04 0.00 0.00 0.00 0.00 55.97 55.13 2pku s LYS 22 Cb -0.10 -2.84 -0.04 0.00 0.00 0.00 0.00 37.83 34.85 2pku s LYS 22 CO -0.06 -0.26 -0.06 0.54 0.00 0.00 0.00 175.35 175.51 2pku s VAL 23 N 1.36 3.65 -0.61 1.79 0.11 -0.86 -4.94 120.40 120.90 2pku s VAL 23 Ca 0.04 -0.93 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2pku s VAL 23 Cb -0.15 -2.64 0.16 0.00 -1.53 0.00 0.00 36.38 32.22 2pku s VAL 23 CO -0.07 0.28 0.42 -0.89 -3.33 0.00 0.00 175.10 171.51 2pku s THR 24 N -1.11 3.70 -0.06 5.04 2.01 -1.26 -0.88 115.64 123.08 2pku s THR 24 Ca 0.20 -2.87 -0.06 0.00 0.31 0.00 0.00 61.69 59.27 2pku s THR 24 Cb -0.11 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2pku s THR 24 CO 0.11 -0.86 0.19 -0.76 -0.69 0.00 0.00 174.62 172.61 2pku s LEU 25 N 0.06 4.38 0.03 4.42 1.43 0.30 -4.83 118.68 124.48 2pku s LEU 25 Ca 0.16 0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 53.66 2pku s LEU 25 Cb -0.20 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 2pku s LEU 25 CO -0.03 0.33 0.31 -1.10 0.23 0.00 0.00 176.35 176.09 2pku s GLN 26 N -1.45 3.65 0.84 1.70 1.11 -1.26 0.33 119.66 124.58 2pku s GLN 26 Ca 0.22 0.02 -0.12 0.00 0.01 0.00 0.00 55.36 55.49 2pku s GLN 26 Cb -0.13 -3.06 0.10 0.00 -1.01 0.00 0.00 33.01 28.92 2pku s GLN 26 CO 0.11 0.62 1.19 1.63 0.01 0.00 0.00 175.29 178.86 2pku n LYS 27 N 1.09 -0.02 -1.10 2.91 4.76 -1.15 -4.80 118.16 119.84 2pku n LYS 27 Ca -0.10 0.07 -0.03 0.00 -2.87 0.00 0.00 58.31 55.38 2pku n LYS 27 Cb 0.53 -2.42 0.01 0.00 -1.84 0.00 0.00 35.03 31.31 2pku n LYS 27 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2pku n ASP 28 N -3.60 0.24 0.10 4.39 5.68 -1.26 -4.87 116.55 117.23 2pku n ASP 28 Ca 0.13 -1.18 0.16 0.00 -0.50 0.00 0.00 54.79 53.40 2pku n ASP 28 Cb 0.51 -0.07 0.68 0.00 -1.14 0.00 0.00 41.12 41.10 2pku n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pku h ALA 29 N 0.06 2.30 -0.45 2.12 0.00 -1.96 0.20 119.26 121.53 2pku h ALA 29 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pku h ALA 29 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pku h ALA 29 CO 0.05 -0.41 0.00 1.04 0.00 0.00 0.00 179.25 179.93 2pku n GLN 30 N -4.42 3.26 -2.22 0.00 1.13 -1.26 -4.89 117.38 108.98 2pku n GLN 30 Ca 0.05 -2.13 -0.14 0.00 -1.94 0.00 0.00 57.00 52.85 2pku n GLN 30 Cb 0.41 -1.84 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 2pku n GLN 30 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2pku n ASN 31 N 0.64 -4.11 -3.73 1.08 5.15 0.71 -4.93 115.26 110.08 2pku n ASN 31 Ca 0.19 0.20 -0.26 0.00 -0.60 0.00 0.00 54.58 54.10 2pku n ASN 31 Cb 0.77 -3.54 -0.17 0.00 -0.53 0.00 0.00 39.78 36.31 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 -5.30 0.95 0.55 1.20 1.43 -1.26 -4.77 118.68 111.48 2pku s LEU 32 Ca 0.00 -0.64 0.22 0.00 -1.03 0.00 0.00 54.13 52.68 2pku s LEU 32 Cb 0.00 -0.52 1.46 0.00 0.03 0.00 0.00 46.19 47.16 2pku s LEU 32 CO 0.00 -0.29 2.15 0.16 0.23 0.00 0.00 176.35 178.60 2pku h ILE 33 N 6.46 0.80 -1.50 -0.59 3.07 -1.91 -3.36 117.51 120.48 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 1.12 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 2pku h ILE 33 CO 0.31 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.02 2pku n GLY 34 N -1.49 0.06 3.62 0.16 0.00 -1.26 -3.02 105.19 103.26 2pku n GLY 34 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.93 -0.00 0.10 -0.61 -4.36 -1.26 -3.89 121.20 110.25 2pku s ILE 35 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.35 2pku s ILE 35 Cb 0.00 -0.98 -0.05 0.00 1.25 0.00 0.00 42.46 42.68 2pku s ILE 35 CO 0.00 0.00 0.32 -0.44 0.24 0.00 0.00 174.94 175.07 2pku s SER 36 N 1.19 6.47 0.04 4.36 0.01 -1.03 -5.01 113.70 119.72 2pku s SER 36 Ca -0.06 0.52 -0.00 0.00 1.31 0.00 0.00 55.95 57.71 2pku s SER 36 Cb -0.05 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 2pku s SER 36 CO -0.12 0.11 -0.04 0.27 0.41 0.00 0.00 173.24 173.87 2pku s ILE 37 N -1.57 0.24 -0.17 1.44 -5.25 -1.26 -0.69 121.20 113.95 2pku s ILE 37 Ca 0.37 -1.43 -0.14 0.00 -0.99 0.00 0.00 60.65 58.46 2pku s ILE 37 Cb -0.13 -1.00 0.05 0.00 2.95 0.00 0.00 42.46 44.33 2pku s ILE 37 CO 0.24 -0.76 0.43 -0.83 -1.79 0.00 0.00 174.94 172.23 2pku s GLY 38 N -2.29 -0.33 0.09 6.27 0.00 0.86 -4.88 107.32 107.04 2pku s GLY 38 Ca -0.02 1.30 -0.27 0.00 0.00 0.00 0.00 44.72 45.73 2pku s GLY 38 CO -0.06 1.20 1.09 -0.32 0.00 0.00 0.00 173.10 175.02 2pku s GLY 39 N 0.49 -0.30 0.00 0.20 0.00 -1.26 -1.11 107.32 105.34 2pku s GLY 39 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2pku s GLY 39 CO -0.02 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.75 2pku n GLY 40 N -0.48 0.48 0.49 0.20 0.00 0.30 -4.53 105.19 101.65 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 -0.06 4.61 0.00 -0.45 -3.82 120.51 117.78 2pku n ALA 41 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2pku n ALA 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.57 0.38 0.16 0.00 6.02 -1.26 -3.56 117.38 116.55 2pku n GLN 42 Ca 0.00 0.35 0.04 0.00 -0.01 0.00 0.00 57.00 57.39 2pku n GLN 42 Cb 0.00 -1.40 0.08 0.00 1.02 0.00 0.00 30.24 29.94 2pku n GLN 42 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 2pku h TYR 43 N -0.80 0.00 -1.60 1.08 -0.00 -2.03 -3.39 116.97 110.23 2pku h TYR 43 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 58.73 58.28 2pku h TYR 43 Cb 0.55 0.00 -0.31 0.00 0.00 0.00 0.00 36.73 36.98 2pku h TYR 43 CO -0.24 0.42 -0.86 0.00 -0.00 0.00 0.00 178.16 177.48 2pku h PRO 45 N 4.66 0.00 -6.75 0.00 0.13 -1.77 0.90 132.00 129.18 2pku h PRO 45 Ca 0.09 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.69 2pku h PRO 45 Cb 0.95 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.15 2pku h PRO 45 CO 0.34 0.26 0.86 0.00 -0.23 0.00 0.00 178.00 179.23 2pku s LEU 47 N -0.08 4.06 0.17 0.00 2.01 -1.26 -4.02 118.68 119.56 2pku s LEU 47 Ca 0.64 0.13 -0.12 0.00 0.01 0.00 0.00 54.13 54.79 2pku s LEU 47 Cb -0.46 -2.99 0.01 0.00 0.01 0.00 0.00 46.19 42.76 2pku s LEU 47 CO 0.43 -0.30 0.37 -0.47 1.01 0.00 0.00 176.35 177.38 2pku s TYR 48 N -2.19 0.15 0.30 0.29 5.04 -0.26 -4.49 117.35 116.18 2pku s TYR 48 Ca 0.40 -0.51 0.03 0.00 -2.44 0.00 0.00 57.07 54.55 2pku s TYR 48 Cb -0.09 0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.31 2pku s TYR 48 CO 0.33 -0.78 0.46 0.42 -1.34 0.00 0.00 175.55 174.64 2pku s ILE 49 N -3.91 5.17 -0.01 3.14 1.01 -1.25 -0.10 121.20 125.25 2pku s ILE 49 Ca 0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2pku s ILE 49 Cb 0.02 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2pku s ILE 49 CO -0.03 -0.45 -0.05 0.52 0.00 0.00 0.00 174.94 174.94 2pku n VAL 50 N -1.61 0.39 -3.78 2.92 0.31 0.14 -4.36 118.33 112.34 2pku n VAL 50 Ca -0.07 0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.48 2pku n VAL 50 Cb 0.57 -1.45 0.02 0.00 -0.91 0.00 0.00 33.84 32.06 2pku n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pku n GLN 51 N -2.92 0.61 -4.48 5.55 10.64 -1.26 -3.57 117.38 121.96 2pku n GLN 51 Ca -0.02 -1.33 -0.25 0.00 -1.83 0.00 0.00 57.00 53.57 2pku n GLN 51 Cb 0.07 1.76 -0.10 0.00 -0.86 0.00 0.00 30.24 31.12 2pku n GLN 51 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2pku s VAL 52 N -2.18 2.38 0.18 -0.39 1.01 -1.26 -2.47 120.40 117.68 2pku s VAL 52 Ca 0.18 -2.14 0.06 0.00 0.00 0.00 0.00 61.98 60.07 2pku s VAL 52 Cb -0.03 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2pku s VAL 52 CO 0.06 -0.21 0.12 -0.36 0.00 0.00 0.00 175.10 174.70 2pku s PHE 53 N -2.58 3.07 0.51 5.22 0.08 -1.25 -5.03 117.98 118.01 2pku s PHE 53 Ca 0.33 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 57.14 2pku s PHE 53 Cb 0.01 -1.46 -0.07 0.00 -0.57 0.00 0.00 43.02 40.93 2pku s PHE 53 CO 0.17 0.52 1.03 0.34 -0.10 0.00 0.00 175.22 177.18 2pku s ASP 54 N -3.22 6.29 -1.76 1.36 -1.08 -1.26 -3.53 116.67 113.48 2pku s ASP 54 Ca 0.31 1.81 0.00 0.00 -0.52 0.00 0.00 52.55 54.15 2pku s ASP 54 Cb -0.09 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2pku s ASP 54 CO 0.23 -0.81 0.00 0.59 0.52 0.00 0.00 175.17 175.69 2pku n ASN 55 N -1.33 -5.64 -4.64 -0.34 3.02 -1.26 -4.99 115.26 100.08 2pku n ASN 55 Ca 0.08 0.05 -0.26 0.00 -0.03 0.00 0.00 54.58 54.42 2pku n ASN 55 Cb 0.53 -4.70 -0.08 0.00 -0.61 0.00 0.00 39.78 34.92 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 -2.96 3.56 0.48 3.41 -4.23 -1.23 -4.99 115.64 109.68 2pku s THR 56 Ca 0.00 -1.53 0.15 0.00 -1.18 0.00 0.00 61.69 59.13 2pku s THR 56 Cb 0.00 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.27 2pku s THR 56 CO 0.00 -0.13 2.06 1.55 -0.54 0.00 0.00 174.62 177.56 2pku h PRO 57 N 2.68 0.03 -0.17 3.99 0.13 -1.89 0.24 132.00 137.01 2pku h PRO 57 Ca -0.47 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 2pku h PRO 57 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2pku h PRO 57 CO 0.57 0.11 -0.70 0.00 -0.23 0.00 0.00 178.00 177.75 2pku h ALA 58 N 1.89 0.42 0.05 -0.56 0.00 -1.82 -2.01 119.26 117.23 2pku h ALA 58 Ca 0.01 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2pku h ALA 58 Cb 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pku h ALA 58 CO 0.01 0.70 -0.33 0.00 0.00 0.00 0.00 179.25 179.62 2pku h ALA 59 N 0.68 -0.03 -0.74 0.00 0.00 -1.65 -2.79 119.26 114.73 2pku h ALA 59 Ca -0.03 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.35 2pku h ALA 59 Cb 1.31 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2pku h ALA 59 CO 0.14 0.15 0.46 -0.07 0.00 0.00 0.00 179.25 179.93 2pku h LEU 60 N -0.70 0.74 -1.08 0.00 3.38 -0.65 -1.56 115.31 115.44 2pku h LEU 60 Ca -0.06 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2pku h LEU 60 Cb 1.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2pku h LEU 60 CO 0.06 0.50 -0.44 -0.78 0.09 0.00 0.00 178.44 177.88 2pku h ASP 61 N 0.88 0.05 -4.63 -0.43 1.82 -1.48 -3.49 116.42 109.14 2pku h ASP 61 Ca 0.31 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2pku h ASP 61 Cb 0.07 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.07 2pku h ASP 61 CO -0.13 0.48 -0.61 0.61 -1.61 0.00 0.00 179.24 177.97 2pku n GLY 62 N -0.25 -2.98 2.06 -0.78 0.00 -0.59 -5.02 105.19 97.62 2pku n GLY 62 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.22 0.00 -3.70 2.61 -1.04 -1.24 -5.08 114.28 106.05 2pku n THR 63 Ca 0.03 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.69 2pku n THR 63 Cb 0.12 -0.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.31 5.23 0.00 12.58 -7.23 -1.26 -5.04 120.40 123.37 2pku s VAL 64 Ca 0.00 0.27 -0.01 0.00 -1.81 0.00 0.00 61.98 60.43 2pku s VAL 64 Cb 0.00 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.35 2pku s VAL 64 CO 0.00 0.34 0.04 0.00 -0.31 0.00 0.00 175.10 175.17 2pku n ALA 65 N 1.05 -0.11 -1.67 1.32 0.00 -1.26 -4.75 120.51 115.09 2pku n ALA 65 Ca -0.10 -0.03 -0.45 0.00 0.00 0.00 0.00 53.44 52.86 2pku n ALA 65 Cb 0.53 0.01 -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 n ALA 66 N -2.93 1.04 0.00 0.00 0.00 -1.23 -1.79 120.51 115.59 2pku n ALA 66 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2pku n ALA 66 Cb 0.02 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 2.07 2.78 3.61 0.00 0.00 -1.26 -5.00 105.19 107.39 2pku n GLY 67 Ca 0.11 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 0.19 5.55 -0.47 1.61 1.11 -0.74 -4.60 116.67 119.31 2pku s ASP 68 Ca 0.00 1.98 -0.29 0.00 0.18 0.00 0.00 52.55 54.42 2pku s ASP 68 Cb 0.00 -2.51 0.02 0.00 1.07 0.00 0.00 42.92 41.50 2pku s ASP 68 CO 0.00 -1.88 1.31 -0.70 1.18 0.00 0.00 175.17 175.08 2pku s GLU 69 N 6.17 3.58 0.13 8.23 2.12 -0.21 -3.80 118.70 134.93 2pku s GLU 69 Ca 1.00 0.69 -0.30 0.00 0.36 0.00 0.00 54.97 56.71 2pku s GLU 69 Cb -0.34 -4.00 -0.07 0.00 0.26 0.00 0.00 34.13 29.98 2pku s GLU 69 CO 0.36 -1.57 1.06 -1.50 -0.54 0.00 0.00 175.26 173.07 2pku s ILE 70 N 5.18 4.14 -0.32 -3.70 2.07 -1.26 -0.02 121.20 127.28 2pku s ILE 70 Ca 0.54 1.77 0.17 0.00 -1.41 0.00 0.00 60.65 61.71 2pku s ILE 70 Cb -0.10 -4.13 0.45 0.00 0.13 0.00 0.00 42.46 38.81 2pku s ILE 70 CO 0.31 0.26 1.27 1.07 -1.91 0.00 0.00 174.94 175.94 2pku n THR 71 N 2.77 0.61 0.00 4.00 5.66 0.56 -4.71 114.28 123.17 2pku n THR 71 Ca 0.03 -2.09 0.00 0.00 -3.05 0.00 0.00 64.05 58.94 2pku n THR 71 Cb 0.47 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.31 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 -0.82 3.41 3.38 1.09 0.00 -1.22 -4.60 105.19 106.44 2pku n GLY 72 Ca -0.02 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.89 -0.01 -0.45 1.61 1.01 -0.26 -0.19 120.40 120.21 2pku s VAL 73 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2pku s VAL 73 Cb 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.68 2pku s VAL 73 CO 0.00 0.02 0.04 -0.46 0.00 0.00 0.00 175.10 174.70 2pku n ASN 74 N 3.81 -2.06 -0.50 3.32 0.23 0.24 0.91 115.26 121.21 2pku n ASN 74 Ca -0.20 0.31 -0.02 0.00 -0.53 0.00 0.00 54.58 54.15 2pku n ASN 74 Cb 0.56 -1.84 0.00 0.00 -2.08 0.00 0.00 39.78 36.43 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pku n GLY 75 N -0.64 0.64 3.07 4.83 0.00 -1.26 -5.01 105.19 106.82 2pku n GLY 75 Ca -0.04 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.70 0.56 -0.04 1.61 0.52 0.26 -5.13 118.95 112.03 2pku s ARG 76 Ca 0.03 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 2pku s ARG 76 Cb -0.01 -0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 2pku s ARG 76 CO 0.03 0.07 1.00 -1.12 0.02 0.00 0.00 175.30 175.30 2pku s SER 77 N -1.50 7.32 -0.03 0.23 0.01 -1.26 -1.11 113.70 117.36 2pku s SER 77 Ca -0.08 1.62 0.08 0.00 1.31 0.00 0.00 55.95 58.87 2pku s SER 77 Cb -0.09 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.46 2pku s SER 77 CO 0.01 -0.34 0.13 2.30 0.41 0.00 0.00 173.24 175.75 2pku n ILE 78 N 4.15 0.16 -0.05 1.44 -6.64 -1.26 -4.48 119.36 112.67 2pku n ILE 78 Ca 0.07 -0.23 0.23 0.00 -1.77 0.00 0.00 62.75 61.06 2pku n ILE 78 Cb 0.50 -0.04 0.71 0.00 -1.44 0.00 0.00 39.64 39.37 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 0.00 6.28 1.57 -1.86 0.77 116.57 123.33 2pku h LYS 79 Ca -0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2pku h LYS 79 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2pku h LYS 79 CO 0.00 0.00 -1.35 0.41 -0.57 0.00 0.00 179.45 177.94 2pku n GLY 80 N -1.64 -1.26 3.84 3.86 0.00 -1.26 -3.98 105.19 104.75 2pku n GLY 80 Ca 0.13 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.07 3.06 0.76 1.61 -0.14 0.26 -5.01 119.74 117.21 2pku s LYS 81 Ca -0.03 0.80 -0.09 0.00 -1.36 0.00 0.00 55.97 55.30 2pku s LYS 81 Cb 0.09 -2.02 0.09 0.00 -1.68 0.00 0.00 37.83 34.31 2pku s LYS 81 CO 0.81 -0.97 1.09 0.99 -0.76 0.00 0.00 175.35 176.51 2pku s THR 82 N -3.13 2.17 0.21 2.17 2.01 -1.26 -4.79 115.64 113.01 2pku s THR 82 Ca 0.57 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.27 2pku s THR 82 Cb -0.13 -2.97 0.15 0.00 0.01 0.00 0.00 72.50 69.57 2pku s THR 82 CO 0.54 0.00 1.85 0.50 -0.69 0.00 0.00 174.62 176.82 2pku h LYS 83 N -0.83 0.86 -0.17 4.92 3.64 -1.80 -0.87 116.57 122.32 2pku h LYS 83 Ca -0.44 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 2pku h LYS 83 Cb 1.30 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2pku h LYS 83 CO 0.57 0.57 -0.27 0.28 -2.27 0.00 0.00 179.45 178.33 2pku h VAL 84 N 0.89 1.26 0.06 2.00 2.07 -1.93 -1.73 116.25 118.87 2pku h VAL 84 Ca 0.29 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2pku h VAL 84 Cb 0.01 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2pku h VAL 84 CO -0.11 0.37 -0.03 -0.33 0.02 0.00 0.00 177.57 177.50 2pku h GLU 85 N 0.29 -0.08 -0.36 1.57 4.39 -1.68 -1.93 114.58 116.78 2pku h GLU 85 Ca 0.04 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2pku h GLU 85 Cb 0.63 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2pku h GLU 85 CO 0.05 0.28 0.21 0.28 -1.16 0.00 0.00 179.01 178.67 2pku h VAL 86 N -0.45 1.13 0.08 3.13 2.07 -1.14 0.04 116.25 121.10 2pku h VAL 86 Ca -0.01 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.22 2pku h VAL 86 Cb 0.40 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2pku h VAL 86 CO 0.01 0.13 -0.18 0.00 0.02 0.00 0.00 177.57 177.56 2pku h ALA 87 N 1.08 -0.28 -0.27 1.67 0.00 -1.34 -1.68 119.26 118.44 2pku h ALA 87 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2pku h ALA 87 Cb 0.03 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2pku h ALA 87 CO -0.02 -0.69 0.03 0.87 0.00 0.00 0.00 179.25 179.44 2pku h LYS 88 N -0.33 0.40 0.41 0.00 1.57 -1.24 -2.43 116.57 114.95 2pku h LYS 88 Ca 0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2pku h LYS 88 Cb 0.36 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2pku h LYS 88 CO -0.11 0.40 -0.22 1.98 -0.57 0.00 0.00 179.45 180.93 2pku h MET 89 N 0.39 -0.56 -0.22 3.15 4.05 -0.24 0.26 114.93 121.76 2pku h MET 89 Ca 0.09 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 2pku h MET 89 Cb 0.21 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2pku h MET 89 CO 0.00 -0.37 0.07 0.82 0.23 0.00 0.00 176.91 177.66 2pku h ILE 90 N -0.58 0.94 0.00 1.77 1.08 -1.15 0.16 117.51 119.72 2pku h ILE 90 Ca -0.05 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 2pku h ILE 90 Cb 0.46 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2pku h ILE 90 CO 0.08 0.03 -0.12 1.56 -0.69 0.00 0.00 178.15 179.01 2pku h GLN 91 N 0.17 0.00 0.23 2.37 4.20 -1.32 -2.60 115.11 118.16 2pku h GLN 91 Ca 0.10 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.48 2pku h GLN 91 Cb 0.07 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.88 2pku h GLN 91 CO -0.11 0.12 -1.43 0.93 -0.67 0.00 0.00 178.83 177.67 2pku h GLU 92 N 0.00 0.52 -6.93 1.46 5.08 0.65 -3.46 114.58 111.91 2pku h GLU 92 Ca -0.00 -0.87 -0.55 0.00 -1.00 0.00 0.00 59.36 56.94 2pku h GLU 92 Cb 0.30 0.32 0.12 0.00 0.50 0.00 0.00 28.75 29.99 2pku h GLU 92 CO 0.02 1.41 0.65 0.28 -1.00 0.00 0.00 179.01 180.37 2pku n VAL 93 N -3.71 2.60 -4.40 3.13 0.31 0.45 -5.02 118.33 111.70 2pku n VAL 93 Ca -0.16 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.46 2pku n VAL 93 Cb 1.09 -1.78 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 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 -2.32 1.49 4.43 5.55 1.02 -1.26 -4.97 119.74 123.67 2pku s LYS 94 Ca 0.60 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.92 2pku s LYS 94 Cb -0.47 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2pku s LYS 94 CO 0.59 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 2pku n GLY 95 N -0.48 0.91 3.53 -3.33 0.00 -1.26 -4.53 105.19 100.02 2pku n GLY 95 Ca -0.07 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 3.26 0.38 1.61 -1.05 -1.26 -2.95 118.70 118.69 2pku s GLU 96 Ca 0.00 -0.59 -0.23 0.00 -0.15 0.00 0.00 54.97 54.00 2pku s GLU 96 Cb 0.00 -4.42 -0.10 0.00 -0.44 0.00 0.00 34.13 29.16 2pku s GLU 96 CO 0.00 -2.07 0.95 0.08 0.95 0.00 0.00 175.26 175.17 2pku s VAL 97 N 5.10 4.29 0.01 1.83 1.01 0.15 -4.82 120.40 127.98 2pku s VAL 97 Ca 0.34 1.64 0.06 0.00 0.00 0.00 0.00 61.98 64.02 2pku s VAL 97 Cb -0.08 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2pku s VAL 97 CO 0.09 -0.10 -0.17 -0.89 0.00 0.00 0.00 175.10 174.02 2pku s THR 98 N -1.91 1.39 -0.03 3.92 2.01 -1.26 0.11 115.64 119.86 2pku s THR 98 Ca 0.57 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2pku s THR 98 Cb -0.14 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.22 2pku s THR 98 CO 0.18 0.29 0.00 -0.63 -0.69 0.00 0.00 174.62 173.77 2pku s ILE 99 N -0.55 0.20 -0.81 1.82 1.09 -0.06 0.81 121.20 123.70 2pku s ILE 99 Ca 0.06 0.09 -0.21 0.00 -1.10 0.00 0.00 60.65 59.49 2pku s ILE 99 Cb -0.07 -0.30 0.10 0.00 -1.06 0.00 0.00 42.46 41.13 2pku s ILE 99 CO 0.00 0.16 1.06 -1.00 -0.10 0.00 0.00 174.94 175.06 2pku s HIS 100 N 1.12 2.90 0.49 3.97 3.76 0.73 -2.03 115.29 126.22 2pku s HIS 100 Ca -0.08 -0.99 0.01 0.00 -0.15 0.00 0.00 55.06 53.84 2pku s HIS 100 Cb -0.13 -4.30 0.01 0.00 1.11 0.00 0.00 32.58 29.27 2pku s HIS 100 CO -0.02 -1.57 0.71 1.52 -0.85 0.00 0.00 174.74 174.53 2pku s TYR 101 N 3.39 3.08 -0.14 1.40 1.13 0.13 -0.32 117.35 126.02 2pku s TYR 101 Ca 0.28 0.14 -0.02 0.00 -1.41 0.00 0.00 57.07 56.05 2pku s TYR 101 Cb -0.10 -2.48 0.05 0.00 -1.10 0.00 0.00 41.96 38.32 2pku s TYR 101 CO -0.01 -0.56 0.03 -0.80 -2.51 0.00 0.00 175.55 171.71 2pku s ASN 102 N -4.30 2.32 0.32 -0.18 0.01 0.97 -1.00 114.94 113.09 2pku s ASN 102 Ca 0.52 -0.51 -0.28 0.00 -0.71 0.00 0.00 52.86 51.88 2pku s ASN 102 Cb -0.10 -0.49 -0.10 0.00 0.41 0.00 0.00 41.25 40.97 2pku s ASN 102 CO 0.38 -0.27 1.17 -0.54 -1.51 0.00 0.00 177.10 176.33 2pku s LYS 103 N 1.94 4.43 0.00 -0.60 1.02 -1.18 -1.04 119.74 124.31 2pku s LYS 103 Ca 0.02 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.91 2pku s LYS 103 Cb -0.15 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2pku s LYS 103 CO -0.07 -0.01 0.03 1.28 -0.92 0.00 0.00 175.35 175.66