#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 3.62 -0.42 2.28 1.01 -0.72 -4.91 120.40 121.26 2pku s VAL 19 Ca 0.00 -2.97 -0.33 0.00 0.00 0.00 0.00 61.98 58.68 2pku s VAL 19 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 2pku s VAL 19 CO 0.00 -0.87 2.27 -2.65 0.00 0.00 0.00 175.10 173.85 2pku n PRO 20 N 3.48 1.01 -4.25 2.72 -0.02 -1.26 -2.83 135.00 133.84 2pku n PRO 20 Ca 0.07 0.23 -0.18 0.00 -2.02 0.00 0.00 63.50 61.61 2pku n PRO 20 Cb 0.37 -2.54 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 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 8.20 1.12 -0.01 -1.23 0.00 0.13 -5.01 107.32 110.52 2pku s GLY 21 Ca 1.10 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2pku s GLY 21 CO 0.45 -1.39 0.00 -1.59 0.00 0.00 0.00 173.10 170.57 2pku s LYS 22 N -2.75 0.09 -0.02 2.90 0.00 -1.26 0.73 119.74 119.43 2pku s LYS 22 Ca 0.10 0.05 0.05 0.00 0.00 0.00 0.00 55.97 56.17 2pku s LYS 22 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 37.83 37.57 2pku s LYS 22 CO 0.03 -0.06 -0.17 0.54 0.00 0.00 0.00 175.35 175.69 2pku s VAL 23 N 0.47 1.37 -0.74 1.79 0.11 -0.88 -4.97 120.40 117.55 2pku s VAL 23 Ca -0.04 -0.73 -0.15 0.00 -2.93 0.00 0.00 61.98 58.13 2pku s VAL 23 Cb -0.06 -1.15 0.19 0.00 -1.53 0.00 0.00 36.38 33.82 2pku s VAL 23 CO -0.01 0.39 0.70 -0.89 -3.33 0.00 0.00 175.10 171.96 2pku s THR 24 N -0.32 5.43 -0.03 5.04 2.01 -1.26 -1.42 115.64 125.10 2pku s THR 24 Ca 0.05 -2.10 -0.13 0.00 0.31 0.00 0.00 61.69 59.81 2pku s THR 24 Cb -0.08 -4.45 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 2pku s THR 24 CO -0.00 -1.01 0.36 -0.76 -0.69 0.00 0.00 174.62 172.52 2pku s LEU 25 N 0.77 4.45 0.02 4.42 1.43 0.10 -4.83 118.68 125.05 2pku s LEU 25 Ca 0.14 0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 53.84 2pku s LEU 25 Cb -0.16 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2pku s LEU 25 CO -0.05 0.32 0.81 -1.10 0.23 0.00 0.00 176.35 176.56 2pku s GLN 26 N -0.97 4.52 0.46 1.70 -1.52 -1.26 -1.25 119.66 121.33 2pku s GLN 26 Ca 0.22 1.13 -0.25 0.00 -1.95 0.00 0.00 55.36 54.51 2pku s GLN 26 Cb -0.16 -3.40 -0.08 0.00 -0.22 0.00 0.00 33.01 29.16 2pku s GLN 26 CO 0.11 0.17 1.36 0.15 -0.25 0.00 0.00 175.29 176.83 2pku s LYS 27 N 0.32 3.67 0.06 2.91 1.02 -1.24 -4.80 119.74 121.67 2pku s LYS 27 Ca 0.42 2.26 -0.01 0.00 0.02 0.00 0.00 55.97 58.65 2pku s LYS 27 Cb -0.20 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 2pku s LYS 27 CO 0.24 -0.77 0.06 -3.47 -0.92 0.00 0.00 175.35 170.48 2pku n ASP 28 N -0.28 -0.55 0.18 2.83 -0.08 -1.26 -4.84 116.55 112.55 2pku n ASP 28 Ca 0.06 -0.77 0.03 0.00 -1.51 0.00 0.00 54.79 52.60 2pku n ASP 28 Cb 0.43 -0.05 0.41 0.00 2.34 0.00 0.00 41.12 44.25 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 -2.01 1.52 -0.83 -1.67 0.00 -1.95 -2.58 119.26 111.73 2pku h ALA 29 Ca -0.02 -0.24 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 2pku h ALA 29 Cb 0.06 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 17.52 2pku h ALA 29 CO 0.01 0.35 0.38 1.04 0.00 0.00 0.00 179.25 181.03 2pku n GLN 30 N -4.23 2.53 -3.45 0.00 3.00 -1.26 -4.90 117.38 109.08 2pku n GLN 30 Ca -0.02 -3.33 -0.22 0.00 -0.01 0.00 0.00 57.00 53.42 2pku n GLN 30 Cb 0.31 -2.16 -0.03 0.00 0.00 0.00 0.00 30.24 28.36 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 -0.99 -2.43 -3.83 1.08 6.94 -0.97 -4.89 115.26 110.16 2pku n ASN 31 Ca 0.53 -0.38 -0.30 0.00 -0.02 0.00 0.00 54.58 54.41 2pku n ASN 31 Cb 1.06 -2.09 -0.15 0.00 -2.36 0.00 0.00 39.78 36.24 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 -6.28 3.12 0.59 -4.53 1.43 -1.26 -4.63 118.68 107.12 2pku s LEU 32 Ca 0.41 -1.93 0.30 0.00 -1.03 0.00 0.00 54.13 51.88 2pku s LEU 32 Cb -0.23 -1.14 1.79 0.00 0.03 0.00 0.00 46.19 46.64 2pku s LEU 32 CO 0.50 -0.39 2.20 0.16 0.23 0.00 0.00 176.35 179.06 2pku h ILE 33 N 6.38 0.48 -1.46 -0.59 3.07 -1.90 -3.35 117.51 120.14 2pku h ILE 33 Ca -0.09 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.32 2pku h ILE 33 Cb 1.00 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2pku h ILE 33 CO 0.49 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.20 2pku n GLY 34 N -1.34 0.27 3.21 0.16 0.00 -1.26 -2.46 105.19 103.76 2pku n GLY 34 Ca -0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.43 0.03 -0.04 -0.61 -4.36 -1.26 -4.03 121.20 108.50 2pku s ILE 35 Ca 0.00 -0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.18 2pku s ILE 35 Cb 0.00 -0.50 -0.03 0.00 1.25 0.00 0.00 42.46 43.18 2pku s ILE 35 CO 0.00 -0.12 -0.06 -0.55 0.24 0.00 0.00 174.94 174.44 2pku s SER 36 N -0.50 4.66 0.05 4.36 0.15 -1.24 -5.02 113.70 116.16 2pku s SER 36 Ca -0.06 -0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 2pku s SER 36 Cb -0.04 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 2pku s SER 36 CO 0.02 0.33 0.01 0.27 1.20 0.00 0.00 173.24 175.07 2pku s ILE 37 N -0.90 0.20 -0.06 6.45 -5.25 -1.26 0.10 121.20 120.48 2pku s ILE 37 Ca 0.15 -1.63 0.03 0.00 -0.99 0.00 0.00 60.65 58.20 2pku s ILE 37 Cb -0.11 -1.41 0.01 0.00 2.95 0.00 0.00 42.46 43.90 2pku s ILE 37 CO 0.04 -0.90 -0.13 -0.83 -1.79 0.00 0.00 174.94 171.33 2pku s GLY 38 N -2.82 0.81 0.03 6.27 0.00 -0.32 -4.84 107.32 106.47 2pku s GLY 38 Ca 0.05 -0.47 -0.16 0.00 0.00 0.00 0.00 44.72 44.14 2pku s GLY 38 CO -0.10 0.01 0.35 -0.32 0.00 0.00 0.00 173.10 173.05 2pku s GLY 39 N 0.52 -0.19 -0.40 0.20 0.00 -1.26 -0.85 107.32 105.33 2pku s GLY 39 Ca -0.12 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.80 2pku s GLY 39 CO 0.03 -0.03 0.91 -0.32 0.00 0.00 0.00 173.10 173.69 2pku s GLY 40 N -1.89 -1.54 1.08 0.20 0.00 -0.27 -4.40 107.32 100.50 2pku s GLY 40 Ca -0.07 0.42 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 2pku s GLY 40 CO -0.01 4.02 0.61 0.00 0.00 0.00 0.00 173.10 177.72 2pku n ALA 41 N 3.28 -3.71 -1.43 3.20 0.00 -1.18 0.14 120.51 120.80 2pku n ALA 41 Ca 0.12 -1.08 -0.15 0.00 0.00 0.00 0.00 53.44 52.33 2pku n ALA 41 Cb 0.61 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -4.27 -1.46 0.00 0.00 6.02 -1.26 -3.81 117.38 112.61 2pku n GLN 42 Ca 0.10 1.02 0.00 0.00 -0.01 0.00 0.00 57.00 58.10 2pku n GLN 42 Cb 0.42 -5.35 0.00 0.00 1.02 0.00 0.00 30.24 26.33 2pku n GLN 42 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 2pku n TYR 43 N -2.35 0.00 -3.12 1.08 0.18 -1.24 -5.05 117.16 106.66 2pku n TYR 43 Ca -0.15 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.44 2pku n TYR 43 Cb 0.60 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.51 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2pku h PRO 45 N 4.73 0.00 -6.66 0.00 0.13 -1.84 -0.68 132.00 127.68 2pku h PRO 45 Ca 0.10 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.68 2pku h PRO 45 Cb 0.95 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.16 2pku h PRO 45 CO 0.33 0.16 0.82 0.00 -0.23 0.00 0.00 178.00 179.08 2pku s LEU 47 N 0.26 4.39 0.33 0.00 1.98 -1.26 -4.49 118.68 119.88 2pku s LEU 47 Ca 0.70 0.45 0.05 0.00 -2.89 0.00 0.00 54.13 52.44 2pku s LEU 47 Cb -0.57 -2.27 -0.07 0.00 0.66 0.00 0.00 46.19 43.95 2pku s LEU 47 CO 0.44 0.36 0.03 -0.31 -1.89 0.00 0.00 176.35 174.98 2pku s TYR 48 N -1.13 2.04 -0.17 5.38 1.51 -0.03 -4.55 117.35 120.41 2pku s TYR 48 Ca 0.19 -0.87 -0.00 0.00 -1.01 0.00 0.00 57.07 55.38 2pku s TYR 48 Cb -0.12 -1.33 0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2pku s TYR 48 CO 0.09 0.12 -0.05 0.42 -1.11 0.00 0.00 175.55 175.02 2pku s ILE 49 N -3.16 1.11 0.55 2.71 1.01 -1.26 -1.17 121.20 120.99 2pku s ILE 49 Ca 0.35 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 2pku s ILE 49 Cb 0.08 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.27 2pku s ILE 49 CO 0.15 0.12 0.82 -0.69 0.00 0.00 0.00 174.94 175.34 2pku s VAL 50 N 1.63 3.54 0.41 2.92 1.01 0.29 -3.93 120.40 126.27 2pku s VAL 50 Ca 0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 2pku s VAL 50 Cb -0.15 -3.37 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 2pku s VAL 50 CO -0.08 -0.33 0.62 0.00 0.00 0.00 0.00 175.10 175.32 2pku n GLN 51 N -2.41 0.68 -1.55 2.72 10.64 -1.26 -3.71 117.38 122.48 2pku n GLN 51 Ca 0.04 0.25 -0.15 0.00 -1.83 0.00 0.00 57.00 55.31 2pku n GLN 51 Cb 0.58 -1.57 0.09 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 -0.75 0.00 -4.38 -0.39 0.24 -1.26 -4.14 118.33 107.65 2pku n VAL 52 Ca 0.11 -0.81 -0.31 0.00 -2.04 0.00 0.00 64.34 61.30 2pku n VAL 52 Cb 0.39 -1.30 -0.10 0.00 -1.47 0.00 0.00 33.84 31.35 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 -2.07 2.75 0.85 6.34 0.08 -1.26 -5.00 117.98 119.67 2pku s PHE 53 Ca 0.41 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 57.21 2pku s PHE 53 Cb -0.02 -1.49 0.10 0.00 -0.57 0.00 0.00 43.02 41.05 2pku s PHE 53 CO 0.28 0.38 1.14 0.34 -0.10 0.00 0.00 175.22 177.26 2pku s ASP 54 N -1.84 3.54 -0.82 1.36 -1.08 -1.26 -3.06 116.67 113.51 2pku s ASP 54 Ca 0.19 2.13 0.00 0.00 -0.52 0.00 0.00 52.55 54.35 2pku s ASP 54 Cb -0.11 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 2pku s ASP 54 CO 0.10 -2.69 0.00 0.59 0.52 0.00 0.00 175.17 173.69 2pku n ASN 55 N -3.78 -4.71 -4.83 -0.34 3.02 -1.26 -5.00 115.26 98.36 2pku n ASN 55 Ca 0.11 0.19 -0.32 0.00 -0.03 0.00 0.00 54.58 54.54 2pku n ASN 55 Cb 0.52 -2.88 -0.06 0.00 -0.61 0.00 0.00 39.78 36.75 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 -2.03 4.93 0.53 3.41 -4.23 -1.17 -4.97 115.64 112.10 2pku s THR 56 Ca 0.00 -0.49 0.18 0.00 -1.18 0.00 0.00 61.69 60.20 2pku s THR 56 Cb 0.00 -3.34 0.29 0.00 1.34 0.00 0.00 72.50 70.79 2pku s THR 56 CO 0.00 0.22 2.13 1.55 -0.54 0.00 0.00 174.62 177.98 2pku h PRO 57 N 3.52 0.00 0.01 3.99 0.13 -1.84 0.61 132.00 138.42 2pku h PRO 57 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.68 0.00 -0.88 0.00 -0.23 0.00 0.00 178.00 177.57 2pku h ALA 58 N 1.96 0.55 0.00 -0.56 0.00 -1.74 -2.25 119.26 117.22 2pku h ALA 58 Ca 0.03 -0.77 -0.20 0.00 0.00 0.00 0.00 54.91 53.97 2pku h ALA 58 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2pku h ALA 58 CO -0.00 1.02 -1.44 0.00 0.00 0.00 0.00 179.25 178.83 2pku h ALA 59 N 1.07 0.68 0.02 0.00 0.00 -1.49 -3.12 119.26 116.42 2pku h ALA 59 Ca -0.02 -1.01 -0.21 0.00 0.00 0.00 0.00 54.91 53.67 2pku h ALA 59 Cb 1.53 0.31 0.02 0.00 0.00 0.00 0.00 17.79 19.65 2pku h ALA 59 CO 0.12 1.11 -0.83 -0.07 0.00 0.00 0.00 179.25 179.58 2pku h LEU 60 N 0.00 0.69 -0.58 0.00 3.38 0.12 -3.29 115.31 115.64 2pku h LEU 60 Ca -0.19 -0.77 -0.15 0.00 0.09 0.00 0.00 57.88 56.86 2pku h LEU 60 Cb 1.71 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2pku h LEU 60 CO 0.06 1.38 -0.50 0.44 0.09 0.00 0.00 178.44 179.91 2pku h ASP 61 N 0.09 0.60 -3.28 -0.43 3.32 -1.56 -3.49 116.42 111.66 2pku h ASP 61 Ca -0.11 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2pku h ASP 61 Cb 1.52 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2pku h ASP 61 CO 0.16 1.00 -0.07 0.61 -1.72 0.00 0.00 179.24 179.22 2pku n GLY 62 N 0.15 -1.18 2.08 2.75 0.00 -1.18 -5.05 105.19 102.76 2pku n GLY 62 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.37 0.00 -3.33 2.61 -1.04 -1.24 -5.09 114.28 105.81 2pku n THR 63 Ca 0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.64 2pku n THR 63 Cb 0.05 -0.05 -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 -1.40 5.04 0.00 12.58 -7.23 -1.26 -5.03 120.40 123.10 2pku s VAL 64 Ca 0.00 1.02 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 2pku s VAL 64 Cb 0.00 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.12 2pku s VAL 64 CO 0.00 0.44 0.00 0.00 -0.31 0.00 0.00 175.10 175.23 2pku n ALA 65 N 2.77 0.00 -2.11 1.32 0.00 -1.26 -4.68 120.51 116.55 2pku n ALA 65 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2pku n ALA 65 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.00 3.62 0.00 0.00 0.00 -1.25 -3.37 121.76 119.76 2pku s ALA 66 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2pku s ALA 66 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2pku s ALA 66 CO 0.00 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2pku n GLY 67 N 3.80 1.14 3.67 0.00 0.00 -1.25 -4.94 105.19 107.61 2pku n GLY 67 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2pku n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pku n ASP 68 N 0.00 1.77 -3.75 1.61 9.92 -1.22 -4.30 116.55 120.58 2pku n ASP 68 Ca 0.00 -2.33 -0.23 0.00 -0.53 0.00 0.00 54.79 51.70 2pku n ASP 68 Cb 0.00 -0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 39.84 2pku n ASP 68 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2pku s GLU 69 N -4.62 0.49 0.61 -1.24 2.12 -0.52 -4.24 118.70 111.30 2pku s GLU 69 Ca 0.59 0.09 -0.16 0.00 0.36 0.00 0.00 54.97 55.85 2pku s GLU 69 Cb -0.04 -1.05 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 2pku s GLU 69 CO 0.38 -0.35 1.07 -1.50 -0.54 0.00 0.00 175.26 174.32 2pku s ILE 70 N 2.00 3.66 -0.05 -3.70 2.07 -1.26 -0.07 121.20 123.85 2pku s ILE 70 Ca 0.04 0.79 0.02 0.00 -1.41 0.00 0.00 60.65 60.09 2pku s ILE 70 Cb -0.13 -3.31 0.05 0.00 0.13 0.00 0.00 42.46 39.20 2pku s ILE 70 CO -0.05 -0.46 0.89 1.07 -1.91 0.00 0.00 174.94 174.47 2pku n THR 71 N -2.11 0.00 0.00 4.00 5.66 0.18 -4.86 114.28 117.15 2pku n THR 71 Ca 0.09 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2pku n THR 71 Cb 0.53 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 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 -0.21 1.84 3.57 1.09 0.00 -1.22 -3.80 105.19 106.46 2pku n GLY 72 Ca -0.21 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.85 -1.78 1.61 0.11 0.84 -2.12 120.40 116.21 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 0.06 -3.20 -3.33 0.00 0.00 175.10 168.63 2pku n ASN 74 N 5.31 -5.97 0.00 3.54 2.85 0.28 -1.39 115.26 119.88 2pku n ASN 74 Ca -0.11 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2pku n ASN 74 Cb 0.50 -4.95 0.00 0.00 1.24 0.00 0.00 39.78 36.57 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 -1.07 3.06 3.81 8.20 0.00 -1.26 -4.95 105.19 112.99 2pku n GLY 75 Ca -0.24 0.00 -0.30 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 -0.20 2.08 0.05 1.61 0.52 -0.49 -5.06 118.95 117.47 2pku s ARG 76 Ca 0.00 0.58 0.02 0.00 -0.52 0.00 0.00 55.73 55.81 2pku s ARG 76 Cb 0.00 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 2pku s ARG 76 CO 0.00 -1.61 0.07 -1.54 0.02 0.00 0.00 175.30 172.24 2pku s SER 77 N -3.97 5.50 0.00 0.23 1.04 -1.26 -0.11 113.70 115.13 2pku s SER 77 Ca 0.61 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2pku s SER 77 Cb -0.14 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2pku s SER 77 CO 0.54 0.21 0.82 2.30 0.98 0.00 0.00 173.24 178.09 2pku n ILE 78 N 0.77 0.66 0.25 -1.02 -6.64 -1.25 -4.73 119.36 107.40 2pku n ILE 78 Ca -0.11 -0.70 0.08 0.00 -1.77 0.00 0.00 62.75 60.26 2pku n ILE 78 Cb 0.52 0.69 0.64 0.00 -1.44 0.00 0.00 39.64 40.05 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 0.00 0.00 -0.83 6.28 1.79 -1.90 -2.44 116.57 119.47 2pku h LYS 79 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2pku h LYS 79 Cb 0.58 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.88 2pku h LYS 79 CO 0.00 0.06 -0.05 0.41 -1.08 0.00 0.00 179.45 178.79 2pku n GLY 80 N -1.31 6.07 3.20 3.86 0.00 -1.26 -4.84 105.19 110.91 2pku n GLY 80 Ca -0.03 -2.41 -0.15 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.67 0.90 0.53 1.61 -0.14 -0.92 -5.14 119.74 112.92 2pku s LYS 81 Ca 0.56 -1.19 0.05 0.00 -1.36 0.00 0.00 55.97 54.03 2pku s LYS 81 Cb 0.45 -0.64 0.05 0.00 -1.68 0.00 0.00 37.83 36.01 2pku s LYS 81 CO 0.02 0.11 0.74 0.99 -0.76 0.00 0.00 175.35 176.44 2pku s THR 82 N -2.38 2.63 0.31 2.17 2.01 -1.26 -4.84 115.64 114.27 2pku s THR 82 Ca 0.07 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.28 2pku s THR 82 Cb -0.03 -2.81 0.30 0.00 0.01 0.00 0.00 72.50 69.97 2pku s THR 82 CO 0.01 0.00 1.86 0.07 -0.69 0.00 0.00 174.62 175.87 2pku h LYS 83 N 0.20 0.88 -0.49 4.92 2.10 -1.91 0.13 116.57 122.40 2pku h LYS 83 Ca -0.39 -0.05 -0.12 0.00 -2.00 0.00 0.00 60.65 58.09 2pku h LYS 83 Cb 1.29 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2pku h LYS 83 CO 0.46 0.58 -0.17 -0.39 -2.00 0.00 0.00 179.45 177.93 2pku h VAL 84 N 0.90 1.27 -0.07 0.07 -1.51 -1.94 0.75 116.25 115.72 2pku h VAL 84 Ca 0.46 -1.33 -0.02 0.00 -1.23 0.00 0.00 66.70 64.58 2pku h VAL 84 Cb 0.50 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2pku h VAL 84 CO -0.22 0.46 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.23 2pku h GLU 85 N 0.84 0.14 -0.38 5.19 4.39 -1.61 -1.94 114.58 121.21 2pku h GLU 85 Ca 0.12 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2pku h GLU 85 Cb 0.75 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2pku h GLU 85 CO 0.06 0.49 0.12 -0.39 -1.16 0.00 0.00 179.01 178.13 2pku h VAL 86 N -0.22 1.21 -0.90 3.13 -1.51 -0.80 -0.33 116.25 116.83 2pku h VAL 86 Ca 0.02 -0.68 0.04 0.00 -1.23 0.00 0.00 66.70 64.84 2pku h VAL 86 Cb 0.44 0.94 -0.05 0.00 -2.13 0.00 0.00 31.29 30.49 2pku h VAL 86 CO 0.01 0.24 0.59 0.00 -1.23 0.00 0.00 177.57 177.18 2pku h ALA 87 N 0.97 1.44 -0.02 5.19 0.00 -0.86 -1.66 119.26 124.31 2pku h ALA 87 Ca 0.12 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2pku h ALA 87 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pku h ALA 87 CO -0.00 0.47 -0.78 0.87 0.00 0.00 0.00 179.25 179.80 2pku h LYS 88 N 1.12 0.22 -0.74 0.00 1.57 -1.09 -1.65 116.57 116.00 2pku h LYS 88 Ca 0.36 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2pku h LYS 88 Cb 0.04 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2pku h LYS 88 CO -0.11 0.90 0.29 1.98 -0.57 0.00 0.00 179.45 181.94 2pku h MET 89 N 0.14 1.10 0.05 3.15 4.05 -0.18 -0.29 114.93 122.96 2pku h MET 89 Ca -0.03 -0.20 -0.12 0.00 -0.28 0.00 0.00 59.70 59.07 2pku h MET 89 Cb 1.37 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2pku h MET 89 CO 0.12 0.91 -0.50 0.82 0.23 0.00 0.00 176.91 178.49 2pku h ILE 90 N 1.06 1.54 0.00 1.77 1.08 -1.36 -1.88 117.51 119.73 2pku h ILE 90 Ca 0.25 -2.25 -0.01 0.00 -0.39 0.00 0.00 64.86 62.46 2pku h ILE 90 Cb 0.21 2.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.94 2pku h ILE 90 CO -0.02 0.63 -0.03 1.56 -0.69 0.00 0.00 178.15 179.60 2pku h GLN 91 N -0.43 0.00 0.00 2.37 1.08 -1.26 -3.06 115.11 113.81 2pku h GLN 91 Ca -0.08 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 2pku h GLN 91 Cb 1.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 2pku h GLN 91 CO 0.10 0.03 -0.58 0.93 -0.95 0.00 0.00 178.83 178.35 2pku h GLU 92 N 0.00 0.00 -6.92 1.46 4.39 -1.08 -3.48 114.58 108.95 2pku h GLU 92 Ca -0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2pku h GLU 92 Cb 0.07 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 28.90 2pku h GLU 92 CO 0.00 0.56 0.02 1.55 -1.16 0.00 0.00 179.01 179.98 2pku n VAL 93 N -4.58 2.52 -4.33 3.13 3.14 -0.71 -5.03 118.33 112.48 2pku n VAL 93 Ca -0.15 -0.36 -0.18 0.00 -2.96 0.00 0.00 64.34 60.69 2pku n VAL 93 Cb 0.41 -1.04 -0.06 0.00 -1.06 0.00 0.00 33.84 32.10 2pku n VAL 93 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2pku n LYS 94 N -1.76 0.56 0.00 1.45 4.76 -1.26 -4.90 118.16 117.01 2pku n LYS 94 Ca 0.12 -2.57 0.00 0.00 -2.87 0.00 0.00 58.31 52.99 2pku n LYS 94 Cb 0.50 1.60 0.00 0.00 -1.84 0.00 0.00 35.03 35.28 2pku n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pku n GLY 95 N -0.16 -1.00 3.59 0.72 0.00 -1.26 -4.56 105.19 102.52 2pku n GLY 95 Ca -0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 3.12 0.03 1.61 1.03 -1.26 -3.72 118.70 119.51 2pku s GLU 96 Ca 0.00 1.67 -0.10 0.00 0.03 0.00 0.00 54.97 56.57 2pku s GLU 96 Cb 0.00 -4.32 -0.05 0.00 -0.80 0.00 0.00 34.13 28.96 2pku s GLU 96 CO 0.00 -2.12 0.35 0.14 -1.33 0.00 0.00 175.26 172.31 2pku s VAL 97 N 8.04 5.16 -0.33 1.83 -7.23 -0.38 -4.91 120.40 122.58 2pku s VAL 97 Ca 0.90 0.43 0.01 0.00 -1.81 0.00 0.00 61.98 61.51 2pku s VAL 97 Cb -0.27 -3.62 0.08 0.00 0.56 0.00 0.00 36.38 33.14 2pku s VAL 97 CO 0.33 0.38 0.05 -0.89 -0.31 0.00 0.00 175.10 174.66 2pku s THR 98 N -1.29 2.64 -0.18 5.32 2.01 -1.26 0.03 115.64 122.91 2pku s THR 98 Ca 0.29 -1.95 -0.16 0.00 0.31 0.00 0.00 61.69 60.17 2pku s THR 98 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 2pku s THR 98 CO 0.16 -0.42 0.42 -0.63 -0.69 0.00 0.00 174.62 173.46 2pku s ILE 99 N 1.06 5.20 -0.45 1.82 1.09 -0.50 0.98 121.20 130.40 2pku s ILE 99 Ca 0.03 0.78 -0.21 0.00 -1.10 0.00 0.00 60.65 60.14 2pku s ILE 99 Cb -0.20 -3.75 0.03 0.00 -1.06 0.00 0.00 42.46 37.47 2pku s ILE 99 CO -0.05 0.28 0.69 -1.00 -0.10 0.00 0.00 174.94 174.76 2pku s HIS 100 N 1.07 3.04 0.37 3.97 3.76 -0.90 -2.07 115.29 124.51 2pku s HIS 100 Ca 0.21 -0.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.20 2pku s HIS 100 Cb -0.15 -3.47 -0.06 0.00 1.11 0.00 0.00 32.58 30.02 2pku s HIS 100 CO 0.08 -0.92 0.04 1.52 -0.85 0.00 0.00 174.74 174.61 2pku s TYR 101 N 2.98 2.55 -0.03 1.40 -0.85 0.22 0.49 117.35 124.11 2pku s TYR 101 Ca 0.25 -0.51 0.04 0.00 -0.52 0.00 0.00 57.07 56.34 2pku s TYR 101 Cb -0.14 -1.62 -0.01 0.00 0.38 0.00 0.00 41.96 40.58 2pku s TYR 101 CO 0.20 0.42 -0.16 -0.80 -1.52 0.00 0.00 175.55 173.69 2pku s ASN 102 N -3.75 2.02 -0.17 -0.18 0.01 0.90 0.18 114.94 113.96 2pku s ASN 102 Ca 0.36 -0.32 -0.16 0.00 -0.71 0.00 0.00 52.86 52.03 2pku s ASN 102 Cb 0.02 -0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.19 2pku s ASN 102 CO 0.20 0.16 0.39 -0.54 -1.51 0.00 0.00 177.10 175.80 2pku s LYS 103 N -0.09 4.25 0.00 -0.60 1.02 -1.13 -1.44 119.74 121.75 2pku s LYS 103 Ca -0.00 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2pku s LYS 103 Cb -0.10 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2pku s LYS 103 CO 0.01 0.10 0.00 1.47 -0.92 0.00 0.00 175.35 176.01