#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 4.63 -0.36 2.28 1.01 -0.87 -4.80 120.40 122.29 2pku s VAL 19 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 2pku s VAL 19 Cb 0.00 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2pku s VAL 19 CO 0.00 -0.90 2.05 -2.16 0.00 0.00 0.00 175.10 174.09 2pku s PRO 20 N 3.30 2.96 -0.08 2.72 0.04 -1.26 -1.93 135.00 140.75 2pku s PRO 20 Ca 0.24 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2pku s PRO 20 Cb -0.15 -4.35 0.03 0.00 0.04 0.00 0.00 34.50 30.07 2pku s PRO 20 CO 0.17 -2.30 -0.03 0.20 0.04 0.00 0.00 177.00 175.09 2pku s GLY 21 N 8.13 0.59 -0.11 0.56 0.00 -0.22 -5.02 107.32 111.26 2pku s GLY 21 Ca 0.88 -0.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.29 2pku s GLY 21 CO 0.31 0.95 0.06 -1.59 0.00 0.00 0.00 173.10 172.84 2pku s LYS 22 N 1.77 3.25 -0.04 2.90 -2.85 -1.26 -0.16 119.74 123.35 2pku s LYS 22 Ca 0.03 -0.29 0.01 0.00 -1.00 0.00 0.00 55.97 54.73 2pku s LYS 22 Cb -0.13 -2.99 0.02 0.00 -2.06 0.00 0.00 37.83 32.67 2pku s LYS 22 CO -0.06 0.70 -0.05 0.54 0.10 0.00 0.00 175.35 176.59 2pku s VAL 23 N -0.85 0.51 -0.68 1.79 0.11 -0.85 -4.96 120.40 115.46 2pku s VAL 23 Ca 0.13 -0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 58.84 2pku s VAL 23 Cb -0.12 -0.52 0.10 0.00 -1.53 0.00 0.00 36.38 34.31 2pku s VAL 23 CO 0.03 0.20 0.89 -0.89 -3.33 0.00 0.00 175.10 172.00 2pku s THR 24 N 0.72 4.60 -0.11 5.04 2.01 -1.26 -1.08 115.64 125.56 2pku s THR 24 Ca -0.09 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2pku s THR 24 Cb -0.13 -4.62 -0.03 0.00 0.01 0.00 0.00 72.50 67.73 2pku s THR 24 CO 0.00 -1.33 0.01 -0.76 -0.69 0.00 0.00 174.62 171.84 2pku s LEU 25 N 3.25 3.57 0.73 4.42 1.43 0.24 -4.84 118.68 127.47 2pku s LEU 25 Ca 0.20 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 2pku s LEU 25 Cb -0.18 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.26 2pku s LEU 25 CO 0.05 0.31 1.07 -1.10 0.23 0.00 0.00 176.35 176.92 2pku s GLN 26 N -0.45 2.33 0.03 1.70 1.11 -1.26 0.10 119.66 123.22 2pku s GLN 26 Ca 0.08 0.05 -0.16 0.00 0.01 0.00 0.00 55.36 55.33 2pku s GLN 26 Cb -0.12 -2.08 -0.06 0.00 -1.01 0.00 0.00 33.01 29.74 2pku s GLN 26 CO 0.02 -1.26 0.47 0.15 0.01 0.00 0.00 175.29 174.69 2pku s LYS 27 N -5.35 4.02 0.41 2.91 1.02 -1.02 -4.54 119.74 117.19 2pku s LYS 27 Ca 0.60 0.54 -0.07 0.00 0.02 0.00 0.00 55.97 57.05 2pku s LYS 27 Cb -0.11 -3.22 0.10 0.00 -0.52 0.00 0.00 37.83 34.09 2pku s LYS 27 CO 0.48 0.67 0.30 -3.47 -0.92 0.00 0.00 175.35 172.40 2pku n ASP 28 N 1.74 -2.03 0.23 2.83 2.03 -1.22 -4.76 116.55 115.38 2pku n ASP 28 Ca -0.12 -0.47 0.07 0.00 0.52 0.00 0.00 54.79 54.79 2pku n ASP 28 Cb 0.52 -0.30 0.56 0.00 -0.72 0.00 0.00 41.12 41.18 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 -2.37 1.54 -0.66 -1.67 0.00 -1.96 -1.94 119.26 112.20 2pku h ALA 29 Ca -0.12 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 2pku h ALA 29 Cb 0.39 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.03 2pku h ALA 29 CO 0.08 0.23 0.27 0.00 0.00 0.00 0.00 179.25 179.82 2pku n GLN 30 N -4.09 3.24 -3.29 0.00 10.64 -1.26 -4.89 117.38 117.74 2pku n GLN 30 Ca -0.02 -2.62 -0.24 0.00 -1.83 0.00 0.00 57.00 52.29 2pku n GLN 30 Cb 0.26 -2.08 0.02 0.00 -0.86 0.00 0.00 30.24 27.57 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 -0.15 -4.97 -3.61 2.61 5.15 -0.73 -4.95 115.26 108.61 2pku n ASN 31 Ca 0.37 -0.39 -0.27 0.00 -0.60 0.00 0.00 54.58 53.69 2pku n ASN 31 Cb 1.27 -4.04 -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 -6.69 0.45 0.57 1.20 1.43 -1.26 -4.80 118.68 109.57 2pku s LEU 32 Ca 0.40 -0.75 0.28 0.00 -1.03 0.00 0.00 54.13 53.02 2pku s LEU 32 Cb -0.19 -0.29 1.50 0.00 0.03 0.00 0.00 46.19 47.24 2pku s LEU 32 CO 0.49 -0.36 1.98 0.16 0.23 0.00 0.00 176.35 178.85 2pku h ILE 33 N 6.42 0.51 -2.36 -0.59 3.07 -1.91 -3.22 117.51 119.45 2pku h ILE 33 Ca -0.16 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.25 2pku h ILE 33 Cb 1.12 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 2pku h ILE 33 CO 0.32 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.03 2pku n GLY 34 N -1.52 -0.60 3.45 0.16 0.00 -1.26 -2.92 105.19 102.49 2pku n GLY 34 Ca 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.70 -0.79 0.17 -0.61 -4.36 -1.26 -4.27 121.20 109.38 2pku s ILE 35 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.13 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 0.79 -0.55 0.24 0.00 0.00 174.94 175.42 2pku s SER 36 N 2.76 7.41 0.29 4.36 0.15 -1.09 -4.98 113.70 122.60 2pku s SER 36 Ca 0.00 1.67 0.03 0.00 0.70 0.00 0.00 55.95 58.35 2pku s SER 36 Cb -0.11 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2pku s SER 36 CO -0.18 0.20 0.15 0.27 1.20 0.00 0.00 173.24 174.88 2pku s ILE 37 N -1.16 0.35 -0.19 6.45 -5.25 -1.26 0.17 121.20 120.32 2pku s ILE 37 Ca 0.36 -2.00 -0.12 0.00 -0.99 0.00 0.00 60.65 57.91 2pku s ILE 37 Cb -0.23 -2.53 0.06 0.00 2.95 0.00 0.00 42.46 42.71 2pku s ILE 37 CO 0.27 0.00 0.47 -0.83 -1.79 0.00 0.00 174.94 173.05 2pku s GLY 38 N -3.36 -0.38 0.23 6.27 0.00 0.18 -4.85 107.32 105.41 2pku s GLY 38 Ca 0.36 1.64 -0.07 0.00 0.00 0.00 0.00 44.72 46.65 2pku s GLY 38 CO 0.17 1.71 0.32 -0.32 0.00 0.00 0.00 173.10 174.97 2pku s GLY 39 N 1.23 0.97 0.00 0.20 0.00 -1.26 -1.45 107.32 107.01 2pku s GLY 39 Ca -0.08 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2pku s GLY 39 CO -0.12 -0.99 0.00 0.61 0.00 0.00 0.00 173.10 172.60 2pku n GLY 40 N -0.33 0.00 1.08 0.20 0.00 -0.13 -4.12 105.19 101.88 2pku n GLY 40 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.83 -2.83 0.00 4.61 0.00 -0.17 -4.68 120.51 115.62 2pku n ALA 41 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.15 2pku n ALA 41 Cb 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.75 0.00 -0.06 0.00 7.27 -1.26 -2.88 117.38 116.70 2pku n GLN 42 Ca -0.07 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.93 2pku n GLN 42 Cb 0.51 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.06 2pku n GLN 42 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 2pku n TYR 43 N 0.00 0.00 -3.19 3.69 4.11 -1.26 -4.78 117.16 115.72 2pku n TYR 43 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.68 2pku n TYR 43 Cb 0.00 -0.64 -0.05 0.00 -0.00 0.00 0.00 39.34 38.65 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2pku h PRO 45 N 3.59 0.00 -5.45 0.00 0.11 -1.82 0.16 132.00 128.59 2pku h PRO 45 Ca 0.10 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.86 2pku h PRO 45 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2pku h PRO 45 CO 0.53 0.31 1.26 0.00 -0.21 0.00 0.00 178.00 179.88 2pku s LEU 47 N 12.04 2.11 -0.18 0.00 1.02 -1.26 -4.79 118.68 127.62 2pku s LEU 47 Ca 1.02 0.93 -0.27 0.00 0.02 0.00 0.00 54.13 55.83 2pku s LEU 47 Cb -0.31 -3.29 0.08 0.00 0.02 0.00 0.00 46.19 42.69 2pku s LEU 47 CO 0.25 -2.42 0.74 -0.47 0.02 0.00 0.00 176.35 174.47 2pku s TYR 48 N -3.34 -0.70 0.73 0.29 5.04 -0.53 -4.26 117.35 114.58 2pku s TYR 48 Ca 0.63 1.52 -0.11 0.00 -2.44 0.00 0.00 57.07 56.67 2pku s TYR 48 Cb -0.14 0.34 0.03 0.00 0.35 0.00 0.00 41.96 42.53 2pku s TYR 48 CO 0.52 -0.45 1.07 0.42 -1.34 0.00 0.00 175.55 175.77 2pku s ILE 49 N -0.29 3.75 0.01 3.14 1.01 -1.17 -0.65 121.20 127.01 2pku s ILE 49 Ca -0.04 0.57 -0.00 0.00 0.00 0.00 0.00 60.65 61.17 2pku s ILE 49 Cb -0.03 -3.24 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 2pku s ILE 49 CO 0.04 -0.74 -0.01 0.52 0.00 0.00 0.00 174.94 174.75 2pku n VAL 50 N -3.27 0.23 -3.55 2.92 0.31 0.13 -4.60 118.33 110.50 2pku n VAL 50 Ca 0.08 0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 64.37 2pku n VAL 50 Cb 0.54 -1.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.22 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 -1.21 0.97 0.26 5.55 0.74 -1.26 -3.72 119.66 120.99 2pku s GLN 51 Ca -0.01 0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.85 2pku s GLN 51 Cb 0.00 0.46 -0.03 0.00 1.10 0.00 0.00 33.01 34.54 2pku s GLN 51 CO 0.01 -0.27 0.40 0.08 -0.55 0.00 0.00 175.29 174.97 2pku s VAL 52 N -0.83 5.22 -0.00 1.34 1.01 -1.26 -2.67 120.40 123.22 2pku s VAL 52 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2pku s VAL 52 Cb -0.01 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2pku s VAL 52 CO 0.07 -0.37 -0.03 -0.36 0.00 0.00 0.00 175.10 174.42 2pku s PHE 53 N -2.04 3.00 0.73 5.22 0.40 -1.26 -5.04 117.98 118.98 2pku s PHE 53 Ca 0.36 0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.57 2pku s PHE 53 Cb -0.09 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.83 2pku s PHE 53 CO 0.31 0.42 1.21 -0.51 0.70 0.00 0.00 175.22 177.35 2pku s ASP 54 N -1.49 4.18 -0.72 1.36 1.11 -1.26 -2.92 116.67 116.93 2pku s ASP 54 Ca 0.18 2.37 0.00 0.00 0.18 0.00 0.00 52.55 55.29 2pku s ASP 54 Cb -0.11 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.29 2pku s ASP 54 CO 0.09 -2.28 0.00 0.59 1.18 0.00 0.00 175.17 174.75 2pku n ASN 55 N -2.71 -4.22 -4.71 0.27 5.03 -1.26 -5.01 115.26 102.65 2pku n ASN 55 Ca 0.14 0.17 -0.30 0.00 0.87 0.00 0.00 54.58 55.46 2pku n ASN 55 Cb 0.50 -2.31 -0.07 0.00 -1.02 0.00 0.00 39.78 36.87 2pku n ASN 55 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2pku s THR 56 N -2.12 4.12 0.53 3.41 -4.23 -1.15 -4.98 115.64 111.23 2pku s THR 56 Ca 0.00 -0.99 0.20 0.00 -1.18 0.00 0.00 61.69 59.72 2pku s THR 56 Cb 0.00 -2.99 0.32 0.00 1.34 0.00 0.00 72.50 71.17 2pku s THR 56 CO 0.00 0.08 2.09 1.55 -0.54 0.00 0.00 174.62 177.81 2pku h PRO 57 N 3.26 0.00 0.02 3.99 0.13 -1.87 0.61 132.00 138.13 2pku h PRO 57 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 2pku h PRO 57 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2pku h PRO 57 CO 0.61 0.00 -0.95 0.00 -0.23 0.00 0.00 178.00 177.43 2pku h ALA 58 N 1.90 0.39 0.00 -0.56 0.00 -1.78 -2.20 119.26 117.01 2pku h ALA 58 Ca 0.09 -0.74 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 2pku h ALA 58 Cb 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2pku h ALA 58 CO -0.00 0.88 -1.18 0.00 0.00 0.00 0.00 179.25 178.94 2pku h ALA 59 N 0.82 0.64 0.07 0.00 0.00 -1.48 -2.93 119.26 116.38 2pku h ALA 59 Ca -0.07 -0.82 -0.25 0.00 0.00 0.00 0.00 54.91 53.77 2pku h ALA 59 Cb 1.60 0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.59 2pku h ALA 59 CO 0.16 0.94 -1.02 -0.07 0.00 0.00 0.00 179.25 179.25 2pku h LEU 60 N 0.00 0.78 0.01 0.00 3.38 0.11 -3.35 115.31 116.25 2pku h LEU 60 Ca -0.12 -0.80 -0.00 0.00 0.09 0.00 0.00 57.88 57.05 2pku h LEU 60 Cb 1.59 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2pku h LEU 60 CO 0.06 1.49 -0.00 0.44 0.09 0.00 0.00 178.44 180.52 2pku h ASP 61 N 0.17 -0.01 -1.22 -0.43 5.19 -1.54 -3.50 116.42 115.09 2pku h ASP 61 Ca -0.15 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.65 2pku h ASP 61 Cb 1.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.22 2pku h ASP 61 CO 0.20 0.62 0.00 0.61 -3.12 0.00 0.00 179.24 177.54 2pku n GLY 62 N 0.61 0.49 1.81 2.75 0.00 -1.11 -5.08 105.19 104.67 2pku n GLY 62 Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.45 0.05 -3.62 2.61 -1.04 -1.25 -5.09 114.28 105.49 2pku n THR 63 Ca 0.00 0.02 -0.37 0.00 -2.04 0.00 0.00 64.05 61.66 2pku n THR 63 Cb 0.20 -0.30 -0.07 0.00 -1.82 0.00 0.00 70.33 68.34 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 -1.22 5.29 0.00 12.58 -7.23 -1.26 -4.94 120.40 123.62 2pku s VAL 64 Ca 0.00 0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 60.59 2pku s VAL 64 Cb 0.00 -3.59 0.03 0.00 0.56 0.00 0.00 36.38 33.38 2pku s VAL 64 CO 0.00 0.50 0.44 0.00 -0.31 0.00 0.00 175.10 175.72 2pku n ALA 65 N 2.73 -1.22 -1.54 1.32 0.00 -1.26 -4.71 120.51 115.83 2pku n ALA 65 Ca -0.15 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 2pku n ALA 65 Cb 0.53 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.27 0.61 0.00 0.00 0.00 -1.24 -1.58 120.51 116.02 2pku n ALA 66 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2pku n ALA 66 Cb 0.20 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 6.26 1.77 3.86 0.00 0.00 -1.26 -5.03 105.19 110.79 2pku n GLY 67 Ca 0.48 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 6.68 -0.34 1.61 1.01 -0.62 -4.41 116.67 120.60 2pku s ASP 68 Ca 0.00 1.26 -0.06 0.00 0.71 0.00 0.00 52.55 54.45 2pku s ASP 68 Cb 0.00 -2.37 0.04 0.00 1.01 0.00 0.00 42.92 41.61 2pku s ASP 68 CO 0.00 -0.31 0.11 -0.70 0.21 0.00 0.00 175.17 174.49 2pku s GLU 69 N -3.38 2.60 -0.01 8.23 2.12 -0.79 -3.03 118.70 124.45 2pku s GLU 69 Ca 0.54 -1.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 2pku s GLU 69 Cb -0.10 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 2pku s GLU 69 CO 0.23 -0.69 1.44 -1.50 -0.54 0.00 0.00 175.26 174.20 2pku s ILE 70 N 1.39 3.66 -0.10 -3.70 2.07 -1.26 0.43 121.20 123.69 2pku s ILE 70 Ca -0.01 1.02 0.22 0.00 -1.41 0.00 0.00 60.65 60.47 2pku s ILE 70 Cb -0.20 -3.66 0.42 0.00 0.13 0.00 0.00 42.46 39.15 2pku s ILE 70 CO 0.03 -0.01 1.16 1.07 -1.91 0.00 0.00 174.94 175.27 2pku n THR 71 N 4.78 0.41 0.00 4.00 5.66 0.77 -4.33 114.28 125.57 2pku n THR 71 Ca 0.14 -1.53 0.00 0.00 -3.05 0.00 0.00 64.05 59.61 2pku n THR 71 Cb 0.43 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 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 -0.01 0.75 3.26 1.09 0.00 -1.17 -4.06 105.19 105.06 2pku n GLY 72 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.65 -1.64 1.61 0.11 -0.00 -2.82 120.40 115.01 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 0.59 -3.33 0.00 0.00 175.10 172.36 2pku n ASN 74 N 5.34 -4.99 0.00 3.54 4.13 0.10 -0.78 115.26 122.60 2pku n ASN 74 Ca -0.06 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.39 2pku n ASN 74 Cb 0.52 -4.28 0.00 0.00 -1.54 0.00 0.00 39.78 34.48 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 -0.72 2.81 3.77 7.41 0.00 -1.26 -4.99 105.19 112.21 2pku n GLY 75 Ca -0.20 0.00 -0.34 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 -0.18 3.06 -0.29 1.61 1.81 0.04 -5.01 118.95 119.98 2pku s ARG 76 Ca 0.00 1.48 -0.13 0.00 -1.72 0.00 0.00 55.73 55.36 2pku s ARG 76 Cb 0.00 -1.98 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 2pku s ARG 76 CO 0.00 -1.06 0.28 -1.12 -0.68 0.00 0.00 175.30 172.71 2pku s SER 77 N -2.23 6.12 -0.05 0.23 0.01 -1.26 -0.82 113.70 115.69 2pku s SER 77 Ca 0.69 0.01 0.12 0.00 1.31 0.00 0.00 55.95 58.09 2pku s SER 77 Cb -0.22 -2.16 0.44 0.00 0.21 0.00 0.00 66.02 64.29 2pku s SER 77 CO 0.35 -0.15 1.32 2.30 0.41 0.00 0.00 173.24 177.47 2pku n ILE 78 N 5.11 1.00 0.21 1.44 -6.64 -1.26 -4.17 119.36 115.05 2pku n ILE 78 Ca -0.11 -0.70 0.06 0.00 -1.77 0.00 0.00 62.75 60.22 2pku n ILE 78 Cb 0.51 0.07 0.46 0.00 -1.44 0.00 0.00 39.64 39.25 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 2.62 0.00 -1.68 6.28 1.57 -1.86 -3.14 116.57 120.36 2pku h LYS 79 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2pku h LYS 79 Cb 0.90 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.84 2pku h LYS 79 CO 0.11 0.29 -0.11 0.41 -0.57 0.00 0.00 179.45 179.58 2pku n GLY 80 N -0.39 5.84 3.12 3.86 0.00 -1.26 -4.48 105.19 111.88 2pku n GLY 80 Ca -0.01 -2.67 -0.08 0.00 0.00 0.00 0.00 46.02 43.25 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 -3.73 0.74 0.56 1.61 1.02 -1.19 -5.05 119.74 113.71 2pku s LYS 81 Ca 0.49 -1.29 0.09 0.00 0.02 0.00 0.00 55.97 55.28 2pku s LYS 81 Cb 0.41 0.23 0.08 0.00 -0.52 0.00 0.00 37.83 38.03 2pku s LYS 81 CO -0.27 -0.18 0.76 0.99 -0.92 0.00 0.00 175.35 175.74 2pku s THR 82 N -3.97 2.30 0.33 2.17 2.01 -1.26 -4.17 115.64 113.05 2pku s THR 82 Ca 0.13 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.20 2pku s THR 82 Cb 0.08 -2.32 0.14 0.00 0.01 0.00 0.00 72.50 70.40 2pku s THR 82 CO -0.06 0.00 1.84 0.50 -0.69 0.00 0.00 174.62 176.21 2pku h LYS 83 N 0.22 0.48 -0.05 4.92 3.64 -1.87 -0.08 116.57 123.82 2pku h LYS 83 Ca -0.32 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 58.81 2pku h LYS 83 Cb 1.29 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2pku h LYS 83 CO 0.42 0.57 -0.45 -0.24 -2.27 0.00 0.00 179.45 177.48 2pku h VAL 84 N 0.46 1.42 -0.08 2.00 3.04 -1.95 -2.21 116.25 118.93 2pku h VAL 84 Ca 0.09 -1.87 -0.01 0.00 -1.01 0.00 0.00 66.70 63.90 2pku h VAL 84 Cb 0.42 2.40 -0.00 0.00 -2.01 0.00 0.00 31.29 32.09 2pku h VAL 84 CO 0.02 0.55 0.03 -0.33 -1.01 0.00 0.00 177.57 176.82 2pku h GLU 85 N -0.08 0.12 -0.34 4.17 4.39 -1.91 -1.89 114.58 119.03 2pku h GLU 85 Ca -0.04 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.64 2pku h GLU 85 Cb 1.13 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2pku h GLU 85 CO 0.09 0.27 0.22 -0.39 -1.16 0.00 0.00 179.01 178.04 2pku h VAL 86 N -0.05 1.08 -0.68 3.13 -1.51 -1.10 0.11 116.25 117.22 2pku h VAL 86 Ca 0.03 -0.16 0.04 0.00 -1.23 0.00 0.00 66.70 65.38 2pku h VAL 86 Cb 0.20 0.58 -0.04 0.00 -2.13 0.00 0.00 31.29 29.90 2pku h VAL 86 CO -0.00 0.08 0.45 0.00 -1.23 0.00 0.00 177.57 176.87 2pku h ALA 87 N 1.13 1.65 -0.02 5.19 0.00 -1.32 -1.94 119.26 123.95 2pku h ALA 87 Ca 0.13 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 2pku h ALA 87 Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2pku h ALA 87 CO -0.04 0.27 -0.98 0.87 0.00 0.00 0.00 179.25 179.37 2pku h LYS 88 N 0.78 0.62 -0.87 0.00 1.57 -0.72 -2.37 116.57 115.58 2pku h LYS 88 Ca 0.28 -0.64 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2pku h LYS 88 Cb 0.12 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2pku h LYS 88 CO -0.08 1.24 0.57 0.00 -0.57 0.00 0.00 179.45 180.61 2pku h MET 89 N 0.36 1.15 -0.05 3.15 -0.00 -0.15 -0.03 114.93 119.35 2pku h MET 89 Ca -0.10 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.70 59.48 2pku h MET 89 Cb 1.62 -0.26 0.00 0.00 -0.00 0.00 0.00 31.60 32.96 2pku h MET 89 CO 0.19 0.76 -0.14 0.82 -0.00 0.00 0.00 176.91 178.54 2pku h ILE 90 N 1.18 1.44 -0.03 -0.10 1.08 -1.42 -2.24 117.51 117.42 2pku h ILE 90 Ca 0.32 -1.53 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2pku h ILE 90 Cb -0.13 2.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.95 2pku h ILE 90 CO -0.07 0.42 0.04 1.56 -0.69 0.00 0.00 178.15 179.41 2pku h GLN 91 N -0.35 0.00 0.13 2.37 4.20 -1.24 -2.18 115.11 118.03 2pku h GLN 91 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 2pku h GLN 91 Cb 0.76 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.55 2pku h GLN 91 CO 0.03 0.00 -0.73 0.93 -0.67 0.00 0.00 178.83 178.39 2pku h GLU 92 N 0.00 0.27 -6.87 1.46 4.39 -0.91 -3.46 114.58 109.45 2pku h GLU 92 Ca 0.01 -0.45 -0.56 0.00 0.34 0.00 0.00 59.36 58.70 2pku h GLU 92 Cb 0.09 0.17 0.13 0.00 -0.10 0.00 0.00 28.75 29.04 2pku h GLU 92 CO -0.00 1.22 0.45 0.28 -1.16 0.00 0.00 179.01 179.80 2pku n VAL 93 N -4.18 3.04 -4.40 3.13 0.31 -0.82 -5.02 118.33 110.39 2pku n VAL 93 Ca -0.14 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.50 2pku n VAL 93 Cb 0.79 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 32.10 2pku n VAL 93 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2pku s LYS 94 N -2.45 1.53 5.78 5.55 0.00 -1.26 -4.97 119.74 123.92 2pku s LYS 94 Ca 0.66 -1.82 0.00 0.00 0.00 0.00 0.00 55.97 54.81 2pku s LYS 94 Cb -0.47 -0.78 0.00 0.00 0.00 0.00 0.00 37.83 36.58 2pku s LYS 94 CO 0.54 -0.14 0.00 0.41 0.00 0.00 0.00 175.35 176.16 2pku n GLY 95 N -0.58 1.98 3.55 0.59 0.00 -1.26 -4.45 105.19 105.02 2pku n GLY 95 Ca -0.03 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 3.13 -0.19 1.61 1.03 -1.26 -2.43 118.70 120.59 2pku s GLU 96 Ca 0.00 -0.16 -0.18 0.00 0.03 0.00 0.00 54.97 54.66 2pku s GLU 96 Cb 0.00 -4.21 -0.03 0.00 -0.80 0.00 0.00 34.13 29.09 2pku s GLU 96 CO 0.00 -2.21 0.49 0.08 -1.33 0.00 0.00 175.26 172.29 2pku s VAL 97 N 6.07 5.14 -0.01 1.83 1.01 0.29 -4.82 120.40 129.91 2pku s VAL 97 Ca 0.38 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.19 2pku s VAL 97 Cb -0.08 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2pku s VAL 97 CO 0.15 0.21 0.26 -0.89 0.00 0.00 0.00 175.10 174.83 2pku s THR 98 N 1.47 5.32 -0.05 3.92 2.01 -1.26 0.79 115.64 127.84 2pku s THR 98 Ca 0.23 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 2pku s THR 98 Cb -0.15 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.83 2pku s THR 98 CO 0.09 0.40 0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 2pku s ILE 99 N -1.27 0.21 -0.64 1.82 1.09 -0.24 0.02 121.20 122.20 2pku s ILE 99 Ca 0.26 0.17 -0.22 0.00 -1.10 0.00 0.00 60.65 59.76 2pku s ILE 99 Cb -0.13 -0.37 0.07 0.00 -1.06 0.00 0.00 42.46 40.97 2pku s ILE 99 CO 0.15 0.21 0.93 -1.00 -0.10 0.00 0.00 174.94 175.13 2pku s HIS 100 N 1.68 2.72 0.01 3.97 3.76 -1.13 -2.01 115.29 124.28 2pku s HIS 100 Ca -0.00 -0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 54.34 2pku s HIS 100 Cb -0.13 -4.24 -0.04 0.00 1.11 0.00 0.00 32.58 29.29 2pku s HIS 100 CO -0.03 -1.59 0.19 1.52 -0.85 0.00 0.00 174.74 173.98 2pku s TYR 101 N 3.91 3.54 -0.22 1.40 -0.85 0.77 -0.16 117.35 125.75 2pku s TYR 101 Ca 0.22 0.32 -0.04 0.00 -0.52 0.00 0.00 57.07 57.05 2pku s TYR 101 Cb -0.17 -1.81 -0.01 0.00 0.38 0.00 0.00 41.96 40.35 2pku s TYR 101 CO 0.11 0.63 -0.03 -0.80 -1.52 0.00 0.00 175.55 173.94 2pku s ASN 102 N -2.10 4.48 -0.21 -0.18 -0.87 0.17 -1.06 114.94 115.16 2pku s ASN 102 Ca 0.29 -0.33 -0.29 0.00 -1.57 0.00 0.00 52.86 50.96 2pku s ASN 102 Cb -0.13 -1.77 -0.01 0.00 -0.02 0.00 0.00 41.25 39.32 2pku s ASN 102 CO 0.21 0.00 1.37 -0.54 -2.57 0.00 0.00 177.10 175.58 2pku s LYS 103 N 1.35 4.04 0.00 -0.60 1.02 -0.81 -1.88 119.74 122.86 2pku s LYS 103 Ca 0.04 1.55 0.06 0.00 0.02 0.00 0.00 55.97 57.65 2pku s LYS 103 Cb -0.14 -3.87 0.05 0.00 -0.52 0.00 0.00 37.83 33.34 2pku s LYS 103 CO -0.01 -0.97 0.70 1.28 -0.92 0.00 0.00 175.35 175.43