#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 4.28 0.51 2.28 0.11 -0.93 -4.95 120.40 121.70 2pku s VAL 19 Ca 0.00 -0.19 -0.22 0.00 -2.93 0.00 0.00 61.98 58.64 2pku s VAL 19 Cb 0.00 -2.96 -0.06 0.00 -1.53 0.00 0.00 36.38 31.83 2pku s VAL 19 CO 0.00 0.39 1.25 -2.16 -3.33 0.00 0.00 175.10 171.25 2pku s PRO 20 N 1.16 3.40 -0.26 1.54 0.04 -1.26 -1.70 135.00 137.91 2pku s PRO 20 Ca 0.04 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 62.98 2pku s PRO 20 Cb -0.14 -2.27 0.13 0.00 0.04 0.00 0.00 34.50 32.25 2pku s PRO 20 CO 0.03 -0.90 0.53 0.20 0.04 0.00 0.00 177.00 176.89 2pku s GLY 21 N -1.23 -0.61 -0.20 0.56 0.00 0.30 -4.89 107.32 101.24 2pku s GLY 21 Ca 0.69 1.77 -0.06 0.00 0.00 0.00 0.00 44.72 47.11 2pku s GLY 21 CO 0.40 2.85 0.03 -1.59 0.00 0.00 0.00 173.10 174.79 2pku s LYS 22 N 2.75 3.74 -0.05 2.90 -2.85 -1.26 0.51 119.74 125.47 2pku s LYS 22 Ca 0.03 -0.46 0.03 0.00 -1.00 0.00 0.00 55.97 54.57 2pku s LYS 22 Cb -0.13 -3.16 0.01 0.00 -2.06 0.00 0.00 37.83 32.49 2pku s LYS 22 CO -0.17 0.07 -0.12 0.54 0.10 0.00 0.00 175.35 175.77 2pku s VAL 23 N 0.89 1.09 -0.64 1.79 0.11 -0.92 -4.98 120.40 117.75 2pku s VAL 23 Ca 0.02 -0.47 -0.20 0.00 -2.93 0.00 0.00 61.98 58.40 2pku s VAL 23 Cb -0.14 -0.99 0.10 0.00 -1.53 0.00 0.00 36.38 33.83 2pku s VAL 23 CO 0.02 0.34 0.79 -0.89 -3.33 0.00 0.00 175.10 172.04 2pku s THR 24 N 0.52 4.72 -0.10 5.04 2.01 -1.26 -1.59 115.64 124.98 2pku s THR 24 Ca -0.11 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 2pku s THR 24 Cb -0.14 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.78 2pku s THR 24 CO 0.03 -1.23 -0.04 -0.76 -0.69 0.00 0.00 174.62 171.93 2pku s LEU 25 N 2.93 3.28 0.64 4.42 1.43 0.23 -4.82 118.68 126.79 2pku s LEU 25 Ca 0.15 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2pku s LEU 25 Cb -0.21 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2pku s LEU 25 CO 0.06 0.31 0.96 -1.10 0.23 0.00 0.00 176.35 176.80 2pku s GLN 26 N -0.47 2.61 0.50 1.70 1.11 -1.26 0.11 119.66 123.96 2pku s GLN 26 Ca 0.07 -0.09 -0.17 0.00 0.01 0.00 0.00 55.36 55.19 2pku s GLN 26 Cb -0.12 -2.22 -0.08 0.00 -1.01 0.00 0.00 33.01 29.58 2pku s GLN 26 CO 0.02 -0.95 0.97 0.15 0.01 0.00 0.00 175.29 175.50 2pku s LYS 27 N -5.12 3.96 0.48 2.91 -0.14 -1.25 -4.68 119.74 115.90 2pku s LYS 27 Ca 0.57 0.94 -0.05 0.00 -1.36 0.00 0.00 55.97 56.07 2pku s LYS 27 Cb -0.11 -2.15 0.10 0.00 -1.68 0.00 0.00 37.83 34.00 2pku s LYS 27 CO 0.45 -0.24 0.65 -3.47 -0.76 0.00 0.00 175.35 171.98 2pku n ASP 28 N -1.50 0.39 0.26 2.83 2.03 -1.24 -4.86 116.55 114.46 2pku n ASP 28 Ca 0.06 -1.44 0.11 0.00 0.52 0.00 0.00 54.79 54.04 2pku n ASP 28 Cb 0.54 -0.46 0.73 0.00 -0.72 0.00 0.00 41.12 41.21 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 -1.23 1.88 -0.67 -1.67 0.00 -1.98 -0.16 119.26 115.42 2pku h ALA 29 Ca -0.21 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2pku h ALA 29 Cb 0.67 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2pku h ALA 29 CO 0.18 -0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.55 2pku n GLN 30 N -4.30 4.20 -3.22 0.00 10.64 -1.26 -4.91 117.38 118.52 2pku n GLN 30 Ca -0.02 -3.06 -0.23 0.00 -1.83 0.00 0.00 57.00 51.85 2pku n GLN 30 Cb 0.12 -2.23 0.02 0.00 -0.86 0.00 0.00 30.24 27.28 2pku n GLN 30 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2pku n ASN 31 N 0.18 -4.91 -3.60 2.61 5.15 -0.07 -4.96 115.26 109.66 2pku n ASN 31 Ca 0.35 -0.35 -0.19 0.00 -0.60 0.00 0.00 54.58 53.79 2pku n ASN 31 Cb 1.30 -4.00 -0.15 0.00 -0.53 0.00 0.00 39.78 36.40 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 -6.61 -0.02 0.52 1.20 1.43 -1.26 -4.77 118.68 109.17 2pku s LEU 32 Ca 0.36 0.00 0.17 0.00 -1.03 0.00 0.00 54.13 53.64 2pku s LEU 32 Cb -0.18 0.22 1.29 0.00 0.03 0.00 0.00 46.19 47.55 2pku s LEU 32 CO 0.45 -0.29 2.14 0.16 0.23 0.00 0.00 176.35 179.05 2pku h ILE 33 N 6.36 0.97 -1.66 -0.59 3.07 -1.92 -3.30 117.51 120.44 2pku h ILE 33 Ca -0.15 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2pku h ILE 33 Cb 1.13 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 2pku h ILE 33 CO 0.21 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 177.93 2pku n GLY 34 N -1.48 -0.05 3.42 0.16 0.00 -1.26 -3.00 105.19 102.97 2pku n GLY 34 Ca -0.03 -0.36 -0.15 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 -0.65 0.02 -0.02 -0.61 -4.36 -1.26 -3.86 121.20 110.47 2pku s ILE 35 Ca 0.00 -0.18 0.07 0.00 -0.26 0.00 0.00 60.65 60.28 2pku s ILE 35 Cb 0.00 -0.93 -0.02 0.00 1.25 0.00 0.00 42.46 42.75 2pku s ILE 35 CO 0.00 -0.10 -0.23 -0.55 0.24 0.00 0.00 174.94 174.30 2pku s SER 36 N -1.63 3.33 0.13 4.36 0.15 -0.97 -5.02 113.70 114.05 2pku s SER 36 Ca -0.08 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.19 2pku s SER 36 Cb -0.01 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 2pku s SER 36 CO 0.03 0.32 -0.09 0.27 1.20 0.00 0.00 173.24 174.97 2pku s ILE 37 N -0.67 1.00 -0.23 6.45 -5.25 -1.26 -0.16 121.20 121.08 2pku s ILE 37 Ca 0.11 -1.99 -0.06 0.00 -0.99 0.00 0.00 60.65 57.71 2pku s ILE 37 Cb -0.10 -1.76 0.11 0.00 2.95 0.00 0.00 42.46 43.66 2pku s ILE 37 CO -0.00 -0.77 0.46 -0.83 -1.79 0.00 0.00 174.94 172.00 2pku s GLY 38 N -3.08 -0.47 -0.25 6.27 0.00 0.13 -4.83 107.32 105.09 2pku s GLY 38 Ca 0.14 1.54 -0.27 0.00 0.00 0.00 0.00 44.72 46.14 2pku s GLY 38 CO -0.01 2.63 1.07 -0.32 0.00 0.00 0.00 173.10 176.47 2pku s GLY 39 N 2.66 -0.12 0.00 0.20 0.00 -1.26 -2.09 107.32 106.71 2pku s GLY 39 Ca 0.02 2.59 0.00 0.00 0.00 0.00 0.00 44.72 47.33 2pku s GLY 39 CO -0.15 1.60 0.00 0.61 0.00 0.00 0.00 173.10 175.16 2pku n GLY 40 N 1.68 -0.38 0.09 0.20 0.00 0.14 -2.47 105.19 104.46 2pku n GLY 40 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.11 4.61 0.00 -1.19 -3.95 120.51 116.88 2pku n ALA 41 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2pku n ALA 41 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2pku n ALA 41 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2pku n GLN 42 N -1.02 0.73 -0.05 0.00 0.00 -1.26 -4.06 117.38 111.71 2pku n GLN 42 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 57.00 56.97 2pku n GLN 42 Cb 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 30.24 28.66 2pku n GLN 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2pku n TYR 43 N -2.87 0.00 -3.18 3.69 4.01 -1.26 -4.79 117.16 112.76 2pku n TYR 43 Ca -0.36 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.16 2pku n TYR 43 Cb 1.10 -0.50 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 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 3.45 0.00 -6.40 0.00 0.11 -1.80 0.41 132.00 127.77 2pku h PRO 45 Ca 0.11 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.68 2pku h PRO 45 Cb 0.83 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.95 2pku h PRO 45 CO 0.58 0.00 0.96 0.00 -0.21 0.00 0.00 178.00 179.33 2pku s LEU 47 N 2.74 4.07 0.12 0.00 1.02 -1.26 -4.36 118.68 121.01 2pku s LEU 47 Ca 0.71 0.32 0.06 0.00 0.02 0.00 0.00 54.13 55.24 2pku s LEU 47 Cb -0.36 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 2pku s LEU 47 CO 0.30 0.37 -0.15 -0.31 0.02 0.00 0.00 176.35 176.58 2pku s TYR 48 N -0.78 1.43 0.08 0.29 1.51 -0.89 -2.77 117.35 116.22 2pku s TYR 48 Ca 0.13 -0.53 -0.19 0.00 -1.01 0.00 0.00 57.07 55.47 2pku s TYR 48 Cb -0.12 -0.75 -0.07 0.00 -0.11 0.00 0.00 41.96 40.91 2pku s TYR 48 CO 0.03 0.15 0.57 0.42 -1.11 0.00 0.00 175.55 175.61 2pku s ILE 49 N -1.94 4.74 -0.09 2.71 1.01 0.34 0.21 121.20 128.19 2pku s ILE 49 Ca 0.08 1.19 -0.04 0.00 0.00 0.00 0.00 60.65 61.87 2pku s ILE 49 Cb -0.06 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2pku s ILE 49 CO 0.03 0.52 -0.08 0.58 0.00 0.00 0.00 174.94 175.99 2pku h VAL 50 N 3.45 0.00 -2.34 2.92 2.07 -0.85 -3.22 116.25 118.29 2pku h VAL 50 Ca -0.49 -0.66 0.19 0.00 0.82 0.00 0.00 66.70 66.56 2pku h VAL 50 Cb 1.21 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2pku h VAL 50 CO 0.64 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.82 2pku s GLN 51 N -1.69 1.14 0.26 1.57 -2.07 -1.26 -3.88 119.66 113.74 2pku s GLN 51 Ca -0.07 -0.70 0.10 0.00 -1.82 0.00 0.00 55.36 52.87 2pku s GLN 51 Cb 0.01 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 2pku s GLN 51 CO 0.10 -0.53 -0.04 0.08 -1.32 0.00 0.00 175.29 173.58 2pku s VAL 52 N -2.57 3.29 -0.03 3.63 1.01 -1.26 -2.28 120.40 122.20 2pku s VAL 52 Ca 0.18 -1.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.17 2pku s VAL 52 Cb -0.01 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2pku s VAL 52 CO 0.03 -0.37 0.08 -0.36 0.00 0.00 0.00 175.10 174.49 2pku s PHE 53 N -2.32 3.33 0.72 5.22 0.40 -1.25 -5.02 117.98 119.06 2pku s PHE 53 Ca 0.31 0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 56.75 2pku s PHE 53 Cb -0.06 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.73 2pku s PHE 53 CO 0.19 0.57 1.17 -0.51 0.70 0.00 0.00 175.22 177.34 2pku s ASP 54 N -1.54 4.38 -1.58 1.36 1.01 -1.26 -3.04 116.67 116.00 2pku s ASP 54 Ca 0.21 2.23 0.00 0.00 0.71 0.00 0.00 52.55 55.70 2pku s ASP 54 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2pku s ASP 54 CO 0.11 -2.13 0.00 0.59 0.21 0.00 0.00 175.17 173.96 2pku n ASN 55 N -2.75 -4.82 -4.64 0.27 3.02 -1.26 -5.00 115.26 100.08 2pku n ASN 55 Ca 0.12 0.30 -0.27 0.00 -0.03 0.00 0.00 54.58 54.70 2pku n ASN 55 Cb 0.51 -3.74 -0.08 0.00 -0.61 0.00 0.00 39.78 35.85 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 -2.62 3.60 0.49 3.41 -4.23 -1.17 -4.99 115.64 110.13 2pku s THR 56 Ca 0.00 -1.46 0.22 0.00 -1.18 0.00 0.00 61.69 59.27 2pku s THR 56 Cb 0.00 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.31 2pku s THR 56 CO 0.00 -0.09 2.10 1.55 -0.54 0.00 0.00 174.62 177.64 2pku h PRO 57 N 2.81 0.00 0.08 3.99 0.13 -1.87 0.63 132.00 137.76 2pku h PRO 57 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 2pku h PRO 57 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2pku h PRO 57 CO 0.57 0.09 -1.12 0.00 -0.23 0.00 0.00 178.00 177.32 2pku h ALA 58 N 1.91 0.20 0.00 -0.56 0.00 -1.80 -2.03 119.26 116.98 2pku h ALA 58 Ca -0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 54.91 53.95 2pku h ALA 58 Cb 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2pku h ALA 58 CO 0.01 0.86 -1.22 0.00 0.00 0.00 0.00 179.25 178.91 2pku h ALA 59 N 0.61 0.65 0.18 0.00 0.00 -1.63 -3.16 119.26 115.90 2pku h ALA 59 Ca -0.12 -0.82 -0.31 0.00 0.00 0.00 0.00 54.91 53.66 2pku h ALA 59 Cb 1.80 0.19 0.03 0.00 0.00 0.00 0.00 17.79 19.81 2pku h ALA 59 CO 0.19 0.93 -1.34 -0.07 0.00 0.00 0.00 179.25 178.95 2pku h LEU 60 N 0.00 0.85 0.24 0.00 3.38 0.17 -3.35 115.31 116.60 2pku h LEU 60 Ca -0.13 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 56.99 2pku h LEU 60 Cb 1.59 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2pku h LEU 60 CO 0.06 1.64 -0.12 0.44 0.09 0.00 0.00 178.44 180.55 2pku h ASP 61 N 0.22 -0.27 -0.83 -0.43 5.19 -1.51 -3.49 116.42 115.29 2pku h ASP 61 Ca -0.21 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2pku h ASP 61 Cb 2.03 0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.61 2pku h ASP 61 CO 0.25 0.09 0.00 0.61 -3.12 0.00 0.00 179.24 177.07 2pku n GLY 62 N -0.28 0.62 2.03 2.75 0.00 -1.19 -5.07 105.19 104.05 2pku n GLY 62 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.32 0.00 -3.45 2.61 -1.04 -1.26 -5.09 114.28 105.74 2pku n THR 63 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 2pku n THR 63 Cb 0.14 -0.22 -0.07 0.00 -1.82 0.00 0.00 70.33 68.36 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 -1.56 5.25 0.00 12.58 -7.23 -1.26 -5.03 120.40 123.15 2pku s VAL 64 Ca 0.00 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 2pku s VAL 64 Cb 0.00 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.25 2pku s VAL 64 CO 0.00 0.31 0.00 0.00 -0.31 0.00 0.00 175.10 175.10 2pku n ALA 65 N 4.05 0.00 -1.70 1.32 0.00 -1.26 -4.69 120.51 118.23 2pku n ALA 65 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 2pku n ALA 65 Cb 0.51 0.00 -0.01 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 -3.00 1.32 0.00 0.00 0.00 -1.25 -2.06 120.51 115.52 2pku n ALA 66 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2pku n ALA 66 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 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 0.97 3.02 3.79 0.00 0.00 -1.21 -5.00 105.19 106.75 2pku n GLY 67 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 0.60 6.59 -0.30 1.61 1.11 -0.88 -4.07 116.67 121.33 2pku s ASP 68 Ca 0.00 1.97 -0.04 0.00 0.18 0.00 0.00 52.55 54.66 2pku s ASP 68 Cb 0.00 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.45 2pku s ASP 68 CO 0.00 -0.61 0.04 -0.70 1.18 0.00 0.00 175.17 175.08 2pku s GLU 69 N -2.85 2.70 0.07 8.23 2.12 -0.59 -0.51 118.70 127.88 2pku s GLU 69 Ca 0.62 -1.11 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2pku s GLU 69 Cb -0.19 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2pku s GLU 69 CO 0.23 -0.56 1.10 -1.50 -0.54 0.00 0.00 175.26 173.99 2pku s ILE 70 N 1.37 4.25 -0.15 -3.70 2.07 -1.12 -0.84 121.20 123.08 2pku s ILE 70 Ca -0.02 1.70 0.12 0.00 -1.41 0.00 0.00 60.65 61.04 2pku s ILE 70 Cb -0.19 -4.09 0.28 0.00 0.13 0.00 0.00 42.46 38.60 2pku s ILE 70 CO 0.00 0.18 1.22 1.07 -1.91 0.00 0.00 174.94 175.51 2pku n THR 71 N 3.49 0.20 0.00 4.00 5.66 -0.21 -4.25 114.28 123.17 2pku n THR 71 Ca 0.06 -0.94 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 2pku n THR 71 Cb 0.48 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.51 1.51 2.97 1.09 0.00 -1.23 -4.28 105.19 104.74 2pku n GLY 72 Ca -0.14 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.10 -0.56 -1.86 1.61 1.01 -0.64 -0.61 120.40 118.26 2pku s VAL 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2pku s VAL 73 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.65 2pku s VAL 73 CO 0.00 -0.07 0.00 0.59 0.00 0.00 0.00 175.10 175.62 2pku n ASN 74 N 5.36 -5.67 0.00 3.32 4.13 0.22 -1.45 115.26 121.17 2pku n ASN 74 Ca -0.05 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2pku n ASN 74 Cb 0.50 -4.77 0.00 0.00 -1.54 0.00 0.00 39.78 33.97 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pku n GLY 75 N -0.86 3.01 3.77 7.41 0.00 -1.26 -5.01 105.19 112.25 2pku n GLY 75 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.19 4.28 -0.44 1.61 0.52 -0.53 -4.97 118.95 119.22 2pku s ARG 76 Ca 0.00 2.07 -0.24 0.00 -0.52 0.00 0.00 55.73 57.05 2pku s ARG 76 Cb 0.00 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.53 2pku s ARG 76 CO 0.00 -0.20 0.83 0.45 0.02 0.00 0.00 175.30 176.40 2pku s SER 77 N -0.71 6.47 -0.07 0.23 0.15 -1.26 -1.62 113.70 116.89 2pku s SER 77 Ca 0.51 0.05 0.11 0.00 0.70 0.00 0.00 55.95 57.32 2pku s SER 77 Cb -0.37 -2.41 0.44 0.00 -1.71 0.00 0.00 66.02 61.98 2pku s SER 77 CO 0.48 -0.93 1.30 2.30 1.20 0.00 0.00 173.24 177.59 2pku n ILE 78 N 6.17 1.10 0.18 6.45 -6.64 -1.26 -4.18 119.36 121.18 2pku n ILE 78 Ca 0.04 -0.72 0.02 0.00 -1.77 0.00 0.00 62.75 60.32 2pku n ILE 78 Cb 0.48 -0.00 0.35 0.00 -1.44 0.00 0.00 39.64 39.03 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 2.54 0.00 -0.87 6.28 1.79 -1.89 -2.85 116.57 121.57 2pku h LYS 79 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2pku h LYS 79 Cb 0.97 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.35 2pku h LYS 79 CO 0.14 0.39 0.51 0.41 -1.08 0.00 0.00 179.45 179.81 2pku n GLY 80 N -0.40 4.96 3.20 3.86 0.00 -1.26 -4.73 105.19 110.81 2pku n GLY 80 Ca -0.02 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.42 0.90 0.76 1.61 1.02 -1.08 -5.12 119.74 114.41 2pku s LYS 81 Ca 0.56 -1.16 -0.07 0.00 0.02 0.00 0.00 55.97 55.33 2pku s LYS 81 Cb 0.47 -0.69 0.11 0.00 -0.52 0.00 0.00 37.83 37.20 2pku s LYS 81 CO 0.06 0.12 1.07 0.99 -0.92 0.00 0.00 175.35 176.67 2pku s THR 82 N -2.19 2.19 0.31 2.17 2.01 -1.26 -4.76 115.64 114.11 2pku s THR 82 Ca 0.06 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2pku s THR 82 Cb -0.04 -2.87 0.27 0.00 0.01 0.00 0.00 72.50 69.86 2pku s THR 82 CO 0.01 0.00 1.96 0.07 -0.69 0.00 0.00 174.62 175.97 2pku h LYS 83 N -0.79 0.99 -0.11 4.92 2.10 -1.61 -0.89 116.57 121.19 2pku h LYS 83 Ca -0.42 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 58.00 2pku h LYS 83 Cb 1.28 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 2pku h LYS 83 CO 0.49 0.66 -0.65 -0.39 -2.00 0.00 0.00 179.45 177.56 2pku h VAL 84 N 1.02 1.36 0.06 0.07 -1.51 -1.93 -2.09 116.25 113.22 2pku h VAL 84 Ca 0.32 -2.00 -0.00 0.00 -1.23 0.00 0.00 66.70 63.79 2pku h VAL 84 Cb 0.02 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2pku h VAL 84 CO -0.09 0.60 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.50 2pku h GLU 85 N 0.30 -0.07 -0.17 5.19 4.39 -1.71 -2.41 114.58 120.10 2pku h GLU 85 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2pku h GLU 85 Cb 1.20 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2pku h GLU 85 CO 0.11 0.25 0.09 0.28 -1.16 0.00 0.00 179.01 178.58 2pku h VAL 86 N -0.40 1.11 -0.22 3.13 2.07 -1.25 -1.92 116.25 118.78 2pku h VAL 86 Ca -0.01 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.25 2pku h VAL 86 Cb 0.36 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2pku h VAL 86 CO 0.01 0.11 -0.26 0.00 0.02 0.00 0.00 177.57 177.45 2pku h ALA 87 N 0.97 -0.19 -0.58 1.67 0.00 -1.40 -0.42 119.26 119.31 2pku h ALA 87 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2pku h ALA 87 Cb 0.09 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2pku h ALA 87 CO -0.01 -0.70 0.38 0.87 0.00 0.00 0.00 179.25 179.80 2pku h LYS 88 N -0.28 0.72 -0.58 0.00 6.56 -1.35 -2.07 116.57 119.56 2pku h LYS 88 Ca 0.13 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2pku h LYS 88 Cb 0.48 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.95 2pku h LYS 88 CO -0.38 0.47 0.36 1.98 -2.06 0.00 0.00 179.45 179.82 2pku h MET 89 N 0.74 0.79 0.46 3.15 4.05 -0.29 -1.15 114.93 122.68 2pku h MET 89 Ca 0.22 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 2pku h MET 89 Cb -0.02 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 2pku h MET 89 CO -0.05 0.55 -0.22 0.82 0.23 0.00 0.00 176.91 178.24 2pku h ILE 90 N 0.79 0.52 -0.26 1.77 1.08 -0.59 -0.86 117.51 119.96 2pku h ILE 90 Ca 0.21 -0.24 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 2pku h ILE 90 Cb -0.04 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 2pku h ILE 90 CO -0.04 0.04 0.25 1.56 -0.69 0.00 0.00 178.15 179.27 2pku h GLN 91 N -0.77 0.00 0.08 2.37 4.20 -1.36 -2.52 115.11 117.11 2pku h GLN 91 Ca -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2pku h GLN 91 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2pku h GLN 91 CO 0.10 0.00 -0.04 0.93 -0.67 0.00 0.00 178.83 179.16 2pku h GLU 92 N 0.00 -0.10 -7.00 1.46 4.39 -0.85 -3.46 114.58 109.01 2pku h GLU 92 Ca 0.12 0.01 -0.56 0.00 0.34 0.00 0.00 59.36 59.27 2pku h GLU 92 Cb 0.63 0.02 0.17 0.00 -0.10 0.00 0.00 28.75 29.47 2pku h GLU 92 CO -0.00 0.36 0.29 1.55 -1.16 0.00 0.00 179.01 180.05 2pku n VAL 93 N -4.80 3.91 -4.44 3.13 3.14 -0.36 -5.03 118.33 113.88 2pku n VAL 93 Ca -0.06 -0.45 -0.21 0.00 -2.96 0.00 0.00 64.34 60.66 2pku n VAL 93 Cb 0.25 -1.28 -0.05 0.00 -1.06 0.00 0.00 33.84 31.70 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 0.80 0.00 1.45 4.76 -1.26 -4.93 118.16 117.22 2pku n LYS 94 Ca 0.15 -2.68 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 2pku n LYS 94 Cb 0.48 1.21 0.00 0.00 -1.84 0.00 0.00 35.03 34.88 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 0.11 0.03 3.59 0.72 0.00 -1.26 -4.50 105.19 103.87 2pku n GLY 95 Ca -0.08 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 2pku n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pku n GLU 96 N -0.90 1.91 -3.46 1.61 0.28 -1.26 -3.88 120.64 114.93 2pku n GLU 96 Ca 0.00 0.51 -0.38 0.00 -0.16 0.00 0.00 57.16 57.13 2pku n GLU 96 Cb 0.00 -3.23 -0.08 0.00 1.43 0.00 0.00 31.44 29.56 2pku n GLU 96 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2pku s VAL 97 N 8.44 5.24 -0.25 3.84 1.01 0.30 -4.84 120.40 134.13 2pku s VAL 97 Ca 1.01 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 63.43 2pku s VAL 97 Cb -0.34 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2pku s VAL 97 CO 0.35 0.25 0.13 -0.89 0.00 0.00 0.00 175.10 174.94 2pku s THR 98 N 1.45 4.85 -0.10 3.92 2.01 -1.26 0.74 115.64 127.24 2pku s THR 98 Ca 0.15 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2pku s THR 98 Cb -0.15 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2pku s THR 98 CO 0.08 0.31 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.58 2pku s ILE 99 N 1.51 3.22 -0.82 1.82 1.09 -0.62 0.70 121.20 128.10 2pku s ILE 99 Ca 0.06 -0.62 -0.18 0.00 -1.10 0.00 0.00 60.65 58.81 2pku s ILE 99 Cb -0.15 -2.33 0.15 0.00 -1.06 0.00 0.00 42.46 39.06 2pku s ILE 99 CO 0.06 0.55 0.94 -1.00 -0.10 0.00 0.00 174.94 175.39 2pku s HIS 100 N -0.07 3.25 0.30 3.97 3.76 0.22 -2.16 115.29 124.57 2pku s HIS 100 Ca -0.02 -1.44 0.00 0.00 -0.15 0.00 0.00 55.06 53.46 2pku s HIS 100 Cb -0.14 -4.10 -0.04 0.00 1.11 0.00 0.00 32.58 29.41 2pku s HIS 100 CO 0.04 -1.32 0.50 1.52 -0.85 0.00 0.00 174.74 174.62 2pku s TYR 101 N 2.05 3.49 -0.18 1.40 -0.85 0.18 -1.04 117.35 122.40 2pku s TYR 101 Ca 0.24 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 57.11 2pku s TYR 101 Cb -0.11 -1.87 0.05 0.00 0.38 0.00 0.00 41.96 40.42 2pku s TYR 101 CO -0.05 0.21 -0.02 -0.80 -1.52 0.00 0.00 175.55 173.37 2pku s ASN 102 N -3.80 2.98 0.24 -0.18 -0.87 -0.02 0.11 114.94 113.40 2pku s ASN 102 Ca 0.39 -0.78 -0.30 0.00 -1.57 0.00 0.00 52.86 50.61 2pku s ASN 102 Cb -0.10 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.25 40.20 2pku s ASN 102 CO 0.33 -0.23 1.27 -0.54 -2.57 0.00 0.00 177.10 175.36 2pku s LYS 103 N 1.67 4.43 0.00 -0.60 1.02 -0.69 -1.54 119.74 124.04 2pku s LYS 103 Ca -0.01 2.04 0.19 0.00 0.02 0.00 0.00 55.97 58.21 2pku s LYS 103 Cb -0.16 -3.17 0.15 0.00 -0.52 0.00 0.00 37.83 34.13 2pku s LYS 103 CO -0.07 -0.15 1.09 1.28 -0.92 0.00 0.00 175.35 176.57