#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 2.17 -1.10 2.28 1.01 -0.69 -4.88 120.40 119.19 2pku s VAL 19 Ca 0.00 -3.36 -0.22 0.00 0.00 0.00 0.00 61.98 58.39 2pku s VAL 19 Cb 0.00 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2pku s VAL 19 CO 0.00 -0.93 1.84 -2.16 0.00 0.00 0.00 175.10 173.85 2pku s PRO 20 N -0.46 2.91 0.23 2.72 0.04 -1.26 -2.48 135.00 136.70 2pku s PRO 20 Ca 0.21 -1.06 0.08 0.00 0.04 0.00 0.00 61.00 60.27 2pku s PRO 20 Cb -0.16 -5.26 -0.04 0.00 0.04 0.00 0.00 34.50 29.08 2pku s PRO 20 CO -0.07 -3.29 0.02 0.20 0.04 0.00 0.00 177.00 173.90 2pku s GLY 21 N 6.35 1.65 0.01 0.56 0.00 -0.19 -4.92 107.32 110.78 2pku s GLY 21 Ca 0.64 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.91 2pku s GLY 21 CO 0.05 -1.55 -0.18 -1.59 0.00 0.00 0.00 173.10 169.84 2pku s LYS 22 N -3.38 2.20 -0.05 2.90 -2.85 -1.26 -0.95 119.74 116.34 2pku s LYS 22 Ca 0.30 -0.89 0.02 0.00 -1.00 0.00 0.00 55.97 54.40 2pku s LYS 22 Cb -0.08 -2.22 0.01 0.00 -2.06 0.00 0.00 37.83 33.49 2pku s LYS 22 CO 0.20 0.57 -0.09 0.54 0.10 0.00 0.00 175.35 176.66 2pku s VAL 23 N -0.82 0.88 -0.87 1.79 0.11 -0.86 -4.92 120.40 115.71 2pku s VAL 23 Ca 0.13 -0.36 -0.18 0.00 -2.93 0.00 0.00 61.98 58.64 2pku s VAL 23 Cb -0.10 -0.81 0.15 0.00 -1.53 0.00 0.00 36.38 34.08 2pku s VAL 23 CO 0.03 0.29 1.00 -0.89 -3.33 0.00 0.00 175.10 172.20 2pku s THR 24 N 0.54 4.93 0.23 5.04 2.01 -1.26 -1.57 115.64 125.56 2pku s THR 24 Ca -0.10 -1.70 -0.18 0.00 0.31 0.00 0.00 61.69 60.03 2pku s THR 24 Cb -0.13 -4.68 -0.08 0.00 0.01 0.00 0.00 72.50 67.62 2pku s THR 24 CO 0.02 -1.36 0.70 -0.76 -0.69 0.00 0.00 174.62 172.52 2pku s LEU 25 N 2.13 4.30 -0.19 4.42 1.43 0.26 -4.72 118.68 126.32 2pku s LEU 25 Ca 0.27 1.34 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 2pku s LEU 25 Cb -0.08 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2pku s LEU 25 CO -0.07 0.01 0.47 -1.10 0.23 0.00 0.00 176.35 175.88 2pku s GLN 26 N -2.13 4.21 0.42 1.70 1.11 -1.26 0.65 119.66 124.36 2pku s GLN 26 Ca 0.44 0.34 -0.26 0.00 0.01 0.00 0.00 55.36 55.89 2pku s GLN 26 Cb -0.15 -3.53 -0.10 0.00 -1.01 0.00 0.00 33.01 28.22 2pku s GLN 26 CO 0.20 -0.05 1.42 1.63 0.01 0.00 0.00 175.29 178.50 2pku n LYS 27 N 4.47 2.34 0.00 2.91 4.76 -1.17 -4.79 118.16 126.68 2pku n LYS 27 Ca -0.06 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 2pku n LYS 27 Cb 0.51 -2.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 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 0.13 -0.14 0.18 4.39 2.03 -1.26 -4.84 116.55 117.04 2pku n ASP 28 Ca 0.04 -0.82 0.02 0.00 0.52 0.00 0.00 54.79 54.56 2pku n ASP 28 Cb 0.40 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 41.12 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 -2.00 1.26 -0.91 -1.67 0.00 -1.95 -2.74 119.26 111.25 2pku h ALA 29 Ca 0.00 -0.38 -0.46 0.00 0.00 0.00 0.00 54.91 54.07 2pku h ALA 29 Cb 0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 17.45 2pku h ALA 29 CO 0.00 0.53 0.58 0.00 0.00 0.00 0.00 179.25 180.36 2pku n GLN 30 N -3.97 2.29 -4.32 0.00 10.64 -1.26 -4.90 117.38 115.85 2pku n GLN 30 Ca -0.02 -2.81 -0.36 0.00 -1.83 0.00 0.00 57.00 51.98 2pku n GLN 30 Cb 0.46 -2.10 -0.06 0.00 -0.86 0.00 0.00 30.24 27.67 2pku n GLN 30 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2pku n ASN 31 N -0.96 -1.55 -3.45 2.61 6.94 -1.03 -4.91 115.26 112.90 2pku n ASN 31 Ca 0.54 -1.15 -0.21 0.00 -0.02 0.00 0.00 54.58 53.74 2pku n ASN 31 Cb 1.58 -2.16 -0.12 0.00 -2.36 0.00 0.00 39.78 36.72 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 -7.25 0.03 0.57 -4.53 1.43 -1.26 -4.66 118.68 103.01 2pku s LEU 32 Ca 0.53 -0.91 0.27 0.00 -1.03 0.00 0.00 54.13 52.99 2pku s LEU 32 Cb -0.30 0.21 1.53 0.00 0.03 0.00 0.00 46.19 47.65 2pku s LEU 32 CO 0.97 -0.40 2.04 0.16 0.23 0.00 0.00 176.35 179.35 2pku h ILE 33 N 6.32 0.56 -1.73 -0.59 3.07 -1.91 -3.38 117.51 119.85 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 1.06 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 2pku h ILE 33 CO 0.37 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.08 2pku n GLY 34 N -1.50 -0.62 3.58 0.16 0.00 -1.26 -2.78 105.19 102.77 2pku n GLY 34 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.39 -0.54 0.36 -0.61 -4.36 -1.26 -4.46 121.20 109.93 2pku s ILE 35 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 60.65 60.26 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 0.75 -0.55 0.24 0.00 0.00 174.94 175.38 2pku s SER 36 N 2.33 6.66 -0.00 4.36 0.15 -1.26 -4.97 113.70 120.97 2pku s SER 36 Ca -0.06 1.22 -0.15 0.00 0.70 0.00 0.00 55.95 57.66 2pku s SER 36 Cb -0.08 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 2pku s SER 36 CO -0.18 -0.29 0.31 0.27 1.20 0.00 0.00 173.24 174.54 2pku s ILE 37 N -2.16 0.06 -0.35 6.45 -5.25 -1.26 -0.84 121.20 117.84 2pku s ILE 37 Ca 0.53 -0.52 -0.00 0.00 -0.99 0.00 0.00 60.65 59.67 2pku s ILE 37 Cb -0.10 -0.68 0.12 0.00 2.95 0.00 0.00 42.46 44.74 2pku s ILE 37 CO 0.24 -0.29 0.16 -0.83 -1.79 0.00 0.00 174.94 172.43 2pku s GLY 38 N -1.49 1.16 -0.29 6.27 0.00 0.25 -4.89 107.32 108.34 2pku s GLY 38 Ca -0.12 -1.93 -0.24 0.00 0.00 0.00 0.00 44.72 42.43 2pku s GLY 38 CO 0.03 1.72 1.10 -0.32 0.00 0.00 0.00 173.10 175.63 2pku s GLY 39 N 1.18 -0.04 0.16 0.20 0.00 -1.26 -2.12 107.32 105.44 2pku s GLY 39 Ca 0.14 2.89 0.00 0.00 0.00 0.00 0.00 44.72 47.75 2pku s GLY 39 CO -0.14 1.95 0.00 0.61 0.00 0.00 0.00 173.10 175.52 2pku n GLY 40 N 2.28 -1.76 0.00 0.20 0.00 -0.92 -1.77 105.19 103.22 2pku n GLY 40 Ca -0.13 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.80 0.00 -2.87 4.61 0.00 -1.19 -4.36 120.51 113.89 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 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 -1.84 -2.30 0.00 6.02 -1.26 -3.03 117.38 114.98 2pku n GLN 42 Ca 0.00 0.68 -0.19 0.00 -0.01 0.00 0.00 57.00 57.48 2pku n GLN 42 Cb 0.00 -4.90 -0.01 0.00 1.02 0.00 0.00 30.24 26.35 2pku n GLN 42 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2pku n TYR 43 N -2.87 -0.83 -2.95 1.08 4.19 -1.26 -4.91 117.16 109.61 2pku n TYR 43 Ca -0.06 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.01 2pku n TYR 43 Cb 0.59 -3.63 0.02 0.00 0.49 0.00 0.00 39.34 36.81 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2pku h PRO 45 N 3.46 0.34 -7.17 0.00 0.11 -1.82 -2.44 132.00 124.48 2pku h PRO 45 Ca -0.02 -0.07 -0.44 0.00 0.11 0.00 0.00 66.00 65.57 2pku h PRO 45 Cb 1.00 -0.05 0.21 0.00 0.11 0.00 0.00 31.00 32.27 2pku h PRO 45 CO 0.34 0.43 0.03 0.00 -0.21 0.00 0.00 178.00 178.59 2pku s LEU 47 N -7.16 1.94 -0.17 0.00 1.02 -1.24 -4.08 118.68 108.99 2pku s LEU 47 Ca 0.68 -0.44 -0.03 0.00 0.02 0.00 0.00 54.13 54.36 2pku s LEU 47 Cb -0.24 -1.16 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 2pku s LEU 47 CO 0.64 0.14 -0.06 -0.47 0.02 0.00 0.00 176.35 176.62 2pku s TYR 48 N 0.25 2.95 0.21 0.29 6.14 -0.90 -2.60 117.35 123.69 2pku s TYR 48 Ca -0.12 -0.56 -0.30 0.00 0.64 0.00 0.00 57.07 56.74 2pku s TYR 48 Cb -0.15 -1.97 -0.08 0.00 0.42 0.00 0.00 41.96 40.17 2pku s TYR 48 CO 0.05 -0.22 1.05 0.42 0.64 0.00 0.00 175.55 177.49 2pku s ILE 49 N 0.68 3.89 0.06 3.14 1.01 -1.23 0.88 121.20 129.64 2pku s ILE 49 Ca -0.03 1.73 0.01 0.00 0.00 0.00 0.00 60.65 62.36 2pku s ILE 49 Cb -0.15 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.23 2pku s ILE 49 CO 0.02 0.34 0.08 0.52 0.00 0.00 0.00 174.94 175.91 2pku n VAL 50 N 1.98 0.00 -1.76 2.92 0.31 -0.02 -4.05 118.33 117.70 2pku n VAL 50 Ca 0.01 -0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 2pku n VAL 50 Cb 0.46 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.28 4.15 0.79 5.55 -2.07 -1.26 -2.77 119.66 121.77 2pku s GLN 51 Ca 0.06 2.54 -0.11 0.00 -1.82 0.00 0.00 55.36 56.02 2pku s GLN 51 Cb -0.00 -3.65 0.07 0.00 -1.09 0.00 0.00 33.01 28.34 2pku s GLN 51 CO 0.04 -0.83 1.10 0.08 -1.32 0.00 0.00 175.29 174.35 2pku s VAL 52 N 2.88 3.10 0.17 3.63 1.01 -1.26 -4.51 120.40 125.42 2pku s VAL 52 Ca 0.80 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 2pku s VAL 52 Cb -0.44 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2pku s VAL 52 CO 0.36 -0.47 0.40 -0.36 0.00 0.00 0.00 175.10 175.03 2pku s PHE 53 N -3.15 3.48 0.70 5.22 0.40 -1.26 -5.04 117.98 118.31 2pku s PHE 53 Ca 0.61 0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 57.32 2pku s PHE 53 Cb -0.14 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.43 2pku s PHE 53 CO 0.54 0.39 1.07 0.34 0.70 0.00 0.00 175.22 178.27 2pku s ASP 54 N -2.71 5.18 -1.65 1.36 -1.08 -1.26 -3.54 116.67 112.96 2pku s ASP 54 Ca 0.41 1.74 0.00 0.00 -0.52 0.00 0.00 52.55 54.18 2pku s ASP 54 Cb -0.12 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2pku s ASP 54 CO 0.26 -1.58 0.00 0.59 0.52 0.00 0.00 175.17 174.97 2pku n ASN 55 N -2.98 -4.93 -4.85 -0.34 3.02 -1.26 -4.99 115.26 98.93 2pku n ASN 55 Ca 0.08 0.32 -0.32 0.00 -0.03 0.00 0.00 54.58 54.64 2pku n ASN 55 Cb 0.53 -3.89 -0.05 0.00 -0.61 0.00 0.00 39.78 35.76 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 -2.64 5.01 0.52 3.41 -4.23 -1.23 -4.98 115.64 111.50 2pku s THR 56 Ca 0.00 -0.48 0.19 0.00 -1.18 0.00 0.00 61.69 60.22 2pku s THR 56 Cb 0.00 -3.39 0.27 0.00 1.34 0.00 0.00 72.50 70.72 2pku s THR 56 CO 0.00 0.20 2.14 1.55 -0.54 0.00 0.00 174.62 177.97 2pku h PRO 57 N 3.44 0.00 0.02 3.99 0.13 -1.87 0.47 132.00 138.17 2pku h PRO 57 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 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 0.69 0.04 -0.93 0.00 -0.23 0.00 0.00 178.00 177.57 2pku h ALA 58 N 1.96 0.47 0.00 -0.56 0.00 -1.76 -1.79 119.26 117.59 2pku h ALA 58 Ca -0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 54.91 53.85 2pku h ALA 58 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2pku h ALA 58 CO 0.00 1.02 -1.53 0.00 0.00 0.00 0.00 179.25 178.74 2pku h ALA 59 N 0.99 0.66 0.04 0.00 0.00 -1.58 -2.99 119.26 116.37 2pku h ALA 59 Ca -0.04 -1.32 -0.23 0.00 0.00 0.00 0.00 54.91 53.32 2pku h ALA 59 Cb 1.60 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 2pku h ALA 59 CO 0.13 1.49 -1.02 -0.07 0.00 0.00 0.00 179.25 179.79 2pku h LEU 60 N 0.00 0.36 -0.02 0.00 3.38 -0.16 -3.30 115.31 115.57 2pku h LEU 60 Ca -0.22 -0.32 -0.23 0.00 0.09 0.00 0.00 57.88 57.20 2pku h LEU 60 Cb 1.95 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 42.61 2pku h LEU 60 CO 0.09 1.17 -0.90 -0.78 0.09 0.00 0.00 178.44 178.11 2pku h ASP 61 N 0.12 0.83 -3.06 -0.43 3.58 -1.46 -3.50 116.42 112.51 2pku h ASP 61 Ca -0.08 -0.73 0.00 0.00 0.42 0.00 0.00 57.03 56.65 2pku h ASP 61 Cb 1.69 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.49 2pku h ASP 61 CO 0.16 1.45 -0.02 0.61 -2.88 0.00 0.00 179.24 178.55 2pku n GLY 62 N 1.02 -2.52 1.57 -0.78 0.00 -1.13 -5.05 105.19 98.30 2pku n GLY 62 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.06 0.00 -4.93 2.61 5.66 -1.25 -5.10 114.28 111.21 2pku n THR 63 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 2pku n THR 63 Cb 0.00 -0.05 -0.16 0.00 -1.55 0.00 0.00 70.33 68.57 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 -1.78 1.55 0.18 1.08 -7.23 -1.26 -5.05 120.40 107.89 2pku s VAL 64 Ca 0.00 -0.80 -0.14 0.00 -1.81 0.00 0.00 61.98 59.24 2pku s VAL 64 Cb 0.00 -1.32 0.05 0.00 0.56 0.00 0.00 36.38 35.67 2pku s VAL 64 CO 0.00 0.44 0.67 0.00 -0.31 0.00 0.00 175.10 175.90 2pku n ALA 65 N 2.97 -1.68 -1.55 1.32 0.00 -1.26 -4.71 120.51 115.61 2pku n ALA 65 Ca -0.17 -0.78 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 2pku n ALA 65 Cb 0.53 0.51 -0.09 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.38 0.48 0.00 0.00 0.00 -1.11 -2.32 120.51 116.17 2pku n ALA 66 Ca -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2pku n ALA 66 Cb 0.41 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.71 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 6.57 0.40 3.99 0.00 0.00 -1.26 -4.94 105.19 109.95 2pku n GLY 67 Ca 0.49 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 4.40 -0.25 1.61 1.01 -0.98 -4.11 116.67 118.35 2pku s ASP 68 Ca 0.00 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 2pku s ASP 68 Cb 0.00 -0.12 0.07 0.00 1.01 0.00 0.00 42.92 43.88 2pku s ASP 68 CO 0.00 -1.82 0.02 -0.70 0.21 0.00 0.00 175.17 172.88 2pku s GLU 69 N -5.13 1.09 0.47 8.23 2.12 0.11 -3.54 118.70 122.06 2pku s GLU 69 Ca 0.66 -0.90 -0.22 0.00 0.36 0.00 0.00 54.97 54.87 2pku s GLU 69 Cb -0.06 -2.33 -0.07 0.00 0.26 0.00 0.00 34.13 31.93 2pku s GLU 69 CO 0.44 -0.73 1.15 -1.50 -0.54 0.00 0.00 175.26 174.08 2pku s ILE 70 N 1.56 3.17 -0.07 -3.70 2.07 -1.07 -0.57 121.20 122.58 2pku s ILE 70 Ca 0.01 0.84 0.03 0.00 -1.41 0.00 0.00 60.65 60.11 2pku s ILE 70 Cb -0.18 -3.41 0.08 0.00 0.13 0.00 0.00 42.46 39.09 2pku s ILE 70 CO -0.12 -0.05 0.78 1.07 -1.91 0.00 0.00 174.94 174.72 2pku n THR 71 N -0.64 0.00 0.00 4.00 5.66 0.39 -3.73 114.28 119.96 2pku n THR 71 Ca 0.08 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2pku n THR 71 Cb 0.49 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 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 -0.32 1.19 3.36 1.09 0.00 -1.22 -3.97 105.19 105.33 2pku n GLY 72 Ca -0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.53 -0.53 -1.49 1.61 0.11 0.08 -0.73 120.40 117.92 2pku s VAL 73 Ca 0.00 0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 2pku s VAL 73 Cb 0.00 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 2pku s VAL 73 CO 0.00 0.05 0.81 -3.20 -3.33 0.00 0.00 175.10 169.42 2pku n ASN 74 N 5.08 -6.09 -0.03 3.54 2.85 0.52 -0.99 115.26 120.15 2pku n ASN 74 Ca -0.13 -0.39 -0.00 0.00 -0.11 0.00 0.00 54.58 53.94 2pku n ASN 74 Cb 0.51 -4.88 -0.00 0.00 1.24 0.00 0.00 39.78 36.66 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 -1.68 0.38 3.67 8.20 0.00 -1.26 -5.01 105.19 109.49 2pku n GLY 75 Ca -0.06 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.72 2.81 -0.34 1.61 1.81 -0.16 -5.08 118.95 118.88 2pku s ARG 76 Ca 0.00 -0.57 -0.26 0.00 -1.72 0.00 0.00 55.73 53.18 2pku s ARG 76 Cb 0.00 -2.68 0.01 0.00 -0.45 0.00 0.00 34.95 31.83 2pku s ARG 76 CO 0.00 0.64 0.92 -1.12 -0.68 0.00 0.00 175.30 175.06 2pku s SER 77 N -1.37 6.73 -0.07 0.23 0.01 -1.26 -0.74 113.70 117.23 2pku s SER 77 Ca 0.18 0.70 0.12 0.00 1.31 0.00 0.00 55.95 58.26 2pku s SER 77 Cb -0.11 -2.47 0.47 0.00 0.21 0.00 0.00 66.02 64.12 2pku s SER 77 CO 0.08 -0.80 1.33 2.30 0.41 0.00 0.00 173.24 176.57 2pku n ILE 78 N 5.84 1.15 0.14 1.44 -6.64 -1.25 -4.16 119.36 115.87 2pku n ILE 78 Ca 0.07 -0.76 -0.01 0.00 -1.77 0.00 0.00 62.75 60.28 2pku n ILE 78 Cb 0.48 0.02 0.19 0.00 -1.44 0.00 0.00 39.64 38.90 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 2.72 0.02 -1.64 6.28 1.57 -1.88 -3.21 116.57 120.43 2pku h LYS 79 Ca 0.00 -0.01 -0.72 0.00 -1.87 0.00 0.00 60.65 58.05 2pku h LYS 79 Cb 1.00 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.01 2pku h LYS 79 CO 0.14 0.59 0.72 0.41 -0.57 0.00 0.00 179.45 180.75 2pku n GLY 80 N 0.14 5.71 3.06 3.86 0.00 -1.26 -4.69 105.19 112.02 2pku n GLY 80 Ca -0.01 -2.48 -0.10 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 -3.93 0.46 0.80 1.61 1.02 -1.21 -5.13 119.74 113.36 2pku s LYS 81 Ca 0.55 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 2pku s LYS 81 Cb 0.45 0.18 0.10 0.00 -0.52 0.00 0.00 37.83 38.04 2pku s LYS 81 CO -0.27 -0.10 1.15 0.95 -0.92 0.00 0.00 175.35 176.16 2pku s THR 82 N -1.90 2.09 0.11 2.17 -4.23 -1.26 -4.44 115.64 108.18 2pku s THR 82 Ca -0.11 -0.11 -0.23 0.00 -1.18 0.00 0.00 61.69 60.06 2pku s THR 82 Cb -0.06 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.71 2pku s THR 82 CO -0.02 0.00 1.70 0.11 -0.54 0.00 0.00 174.62 175.87 2pku h LYS 83 N -1.00 -0.14 -0.02 3.99 1.57 -1.60 0.35 116.57 119.72 2pku h LYS 83 Ca -0.45 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2pku h LYS 83 Cb 1.31 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2pku h LYS 83 CO 0.58 -0.09 -0.18 -0.39 -0.57 0.00 0.00 179.45 178.80 2pku h VAL 84 N -0.14 1.14 0.06 0.50 -1.51 -1.94 -1.67 116.25 112.69 2pku h VAL 84 Ca 0.04 -0.67 -0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2pku h VAL 84 Cb 0.20 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2pku h VAL 84 CO -0.11 0.19 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.07 2pku h GLU 85 N 0.03 -0.08 -0.30 5.19 4.39 -1.71 -1.96 114.58 120.14 2pku h GLU 85 Ca 0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2pku h GLU 85 Cb 0.34 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2pku h GLU 85 CO 0.02 0.37 0.19 0.28 -1.16 0.00 0.00 179.01 178.72 2pku h VAL 86 N -0.56 1.08 -0.97 3.13 2.07 -0.79 -1.39 116.25 118.82 2pku h VAL 86 Ca -0.01 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2pku h VAL 86 Cb 0.49 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2pku h VAL 86 CO 0.01 0.08 0.64 0.00 0.02 0.00 0.00 177.57 178.32 2pku h ALA 87 N 1.10 1.27 -0.50 1.67 0.00 -1.36 -1.94 119.26 119.49 2pku h ALA 87 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2pku h ALA 87 Cb -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2pku h ALA 87 CO -0.02 0.55 -0.02 0.87 0.00 0.00 0.00 179.25 180.63 2pku h LYS 88 N 1.26 0.85 0.19 0.00 1.57 -0.95 -1.55 116.57 117.94 2pku h LYS 88 Ca 0.38 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2pku h LYS 88 Cb -0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2pku h LYS 88 CO -0.11 0.87 -0.09 1.98 -0.57 0.00 0.00 179.45 181.53 2pku h MET 89 N 0.79 -0.24 0.00 3.15 4.05 -0.54 0.24 114.93 122.38 2pku h MET 89 Ca 0.15 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.54 2pku h MET 89 Cb 0.50 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2pku h MET 89 CO 0.03 -0.07 -0.19 0.82 0.23 0.00 0.00 176.91 177.72 2pku h ILE 90 N -0.36 1.13 0.00 1.77 1.08 -1.34 -0.91 117.51 118.89 2pku h ILE 90 Ca -0.03 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 63.69 2pku h ILE 90 Cb 0.28 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 2pku h ILE 90 CO 0.04 0.19 -0.45 1.56 -0.69 0.00 0.00 178.15 178.80 2pku h GLN 91 N 0.00 0.00 0.00 2.37 4.20 -0.96 -3.34 115.11 117.38 2pku h GLN 91 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2pku h GLN 91 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2pku h GLN 91 CO 0.02 0.45 -0.23 0.93 -0.67 0.00 0.00 178.83 179.33 2pku h GLU 92 N 0.00 0.00 -6.85 1.46 4.39 -0.11 -3.47 114.58 110.01 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 1.21 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.96 2pku h GLU 92 CO 0.06 0.42 0.74 1.55 -1.16 0.00 0.00 179.01 180.62 2pku n VAL 93 N -4.66 1.70 -4.28 3.13 3.14 -0.42 -5.01 118.33 111.92 2pku n VAL 93 Ca -0.08 -0.43 -0.12 0.00 -2.96 0.00 0.00 64.34 60.75 2pku n VAL 93 Cb 0.27 -1.86 -0.03 0.00 -1.06 0.00 0.00 33.84 31.16 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 0.97 1.43 0.00 1.45 5.02 -1.26 -4.90 118.16 120.87 2pku n LYS 94 Ca 0.04 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 2pku n LYS 94 Cb 0.37 0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.81 2pku n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pku n GLY 95 N 2.44 -0.65 3.57 0.72 0.00 -1.26 -4.47 105.19 105.53 2pku n GLY 95 Ca -0.07 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.70 1.59 -4.32 1.61 0.28 -1.26 -3.05 120.64 113.79 2pku n GLU 96 Ca 0.00 0.35 -0.34 0.00 -0.16 0.00 0.00 57.16 57.01 2pku n GLU 96 Cb 0.00 -3.21 -0.09 0.00 1.43 0.00 0.00 31.44 29.57 2pku n GLU 96 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2pku s VAL 97 N 9.40 4.30 -0.07 3.84 -7.23 0.21 -4.88 120.40 125.97 2pku s VAL 97 Ca 1.02 -0.37 -0.02 0.00 -1.81 0.00 0.00 61.98 60.79 2pku s VAL 97 Cb -0.35 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 2pku s VAL 97 CO 0.34 0.51 0.05 -0.89 -0.31 0.00 0.00 175.10 174.80 2pku s THR 98 N -0.97 4.67 -0.04 5.32 2.01 -1.26 0.91 115.64 126.27 2pku s THR 98 Ca 0.16 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2pku s THR 98 Cb -0.11 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.38 2pku s THR 98 CO 0.06 0.53 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 2pku s ILE 99 N -1.01 0.58 -0.54 1.82 1.09 -0.61 -0.35 121.20 122.18 2pku s ILE 99 Ca 0.16 -0.18 -0.21 0.00 -1.10 0.00 0.00 60.65 59.32 2pku s ILE 99 Cb -0.12 -0.57 0.05 0.00 -1.06 0.00 0.00 42.46 40.77 2pku s ILE 99 CO 0.06 0.22 0.77 -1.00 -0.10 0.00 0.00 174.94 174.89 2pku s HIS 100 N 0.66 2.93 0.11 3.97 3.76 0.10 -2.02 115.29 124.79 2pku s HIS 100 Ca -0.09 -0.37 0.06 0.00 -0.15 0.00 0.00 55.06 54.51 2pku s HIS 100 Cb -0.12 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.72 2pku s HIS 100 CO 0.00 -1.20 -0.06 1.52 -0.85 0.00 0.00 174.74 174.15 2pku s TYR 101 N 3.21 2.82 -0.14 1.40 1.13 -0.13 -0.46 117.35 125.18 2pku s TYR 101 Ca 0.21 -0.12 0.02 0.00 -1.41 0.00 0.00 57.07 55.77 2pku s TYR 101 Cb -0.17 -1.46 0.00 0.00 -1.10 0.00 0.00 41.96 39.24 2pku s TYR 101 CO 0.14 0.45 -0.19 -0.80 -2.51 0.00 0.00 175.55 172.65 2pku s ASN 102 N -2.31 3.41 -0.12 -0.18 0.01 0.26 -1.02 114.94 115.00 2pku s ASN 102 Ca 0.23 -0.52 -0.22 0.00 -0.71 0.00 0.00 52.86 51.64 2pku s ASN 102 Cb -0.11 -1.50 -0.03 0.00 0.41 0.00 0.00 41.25 40.01 2pku s ASN 102 CO 0.16 0.10 0.64 -0.54 -1.51 0.00 0.00 177.10 175.94 2pku s LYS 103 N 0.73 4.35 0.00 -0.60 1.02 -1.04 0.08 119.74 124.28 2pku s LYS 103 Ca -0.08 0.72 0.06 0.00 0.02 0.00 0.00 55.97 56.69 2pku s LYS 103 Cb -0.16 -3.48 0.05 0.00 -0.52 0.00 0.00 37.83 33.72 2pku s LYS 103 CO 0.01 -0.01 0.70 1.28 -0.92 0.00 0.00 175.35 176.40