#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pku n MET 4 N 0.00 4.62 -1.71 -0.14 0.00 -1.26 -3.65 117.12 114.98 1pku n MET 4 Ca 0.00 -4.59 -0.30 0.00 0.00 0.00 0.00 57.70 52.81 1pku n MET 4 Cb 0.00 -2.49 0.07 0.00 0.00 0.00 0.00 33.22 30.80 1pku n MET 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1pku s GLU 5 N -3.12 2.46 0.14 3.17 -1.05 -1.24 -4.67 118.70 114.39 1pku s GLU 5 Ca 0.33 0.55 0.07 0.00 -0.15 0.00 0.00 54.97 55.77 1pku s GLU 5 Cb 0.08 -1.97 -0.04 0.00 -0.44 0.00 0.00 34.13 31.77 1pku s GLU 5 CO 0.06 -1.34 -0.17 -0.65 0.95 0.00 0.00 175.26 174.11 1pku s GLN 6 N -5.26 1.14 0.05 -4.83 -0.21 -1.26 -2.00 119.66 107.30 1pku s GLN 6 Ca 0.60 -1.30 0.03 0.00 0.02 0.00 0.00 55.36 54.70 1pku s GLN 6 Cb -0.13 -1.14 -0.02 0.00 1.00 0.00 0.00 33.01 32.72 1pku s GLN 6 CO 0.53 0.23 -0.09 0.45 -2.12 0.00 0.00 175.29 174.29 1pku s SER 7 N -2.49 1.07 -0.25 5.90 0.15 -0.78 -4.73 113.70 112.58 1pku s SER 7 Ca 0.12 -0.55 -0.16 0.00 0.70 0.00 0.00 55.95 56.06 1pku s SER 7 Cb -0.06 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1pku s SER 7 CO 0.05 -0.16 0.41 0.12 1.20 0.00 0.00 173.24 174.86 1pku s PHE 8 N -1.30 3.29 -0.11 3.44 5.36 -1.26 -1.81 117.98 125.58 1pku s PHE 8 Ca -0.07 0.52 0.04 0.00 -0.96 0.00 0.00 56.93 56.45 1pku s PHE 8 Cb -0.10 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.00 1pku s PHE 8 CO 0.01 -0.17 -0.23 0.42 -1.46 0.00 0.00 175.22 173.79 1pku s ILE 9 N 1.87 2.03 -0.10 3.12 -1.09 -0.68 -2.10 121.20 124.24 1pku s ILE 9 Ca 0.17 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.62 1pku s ILE 9 Cb -0.15 -1.76 0.01 0.00 -1.58 0.00 0.00 42.46 38.98 1pku s ILE 9 CO 0.09 0.55 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.88 1pku s MET 10 N 0.45 2.16 -0.22 2.79 1.75 -0.39 -0.47 119.30 125.37 1pku s MET 10 Ca -0.16 -0.54 -0.22 0.00 -1.25 0.00 0.00 55.69 53.51 1pku s MET 10 Cb -0.17 -1.84 -0.02 0.00 2.84 0.00 0.00 34.83 35.64 1pku s MET 10 CO 0.07 -0.05 0.70 0.42 -0.65 0.00 0.00 175.02 175.50 1pku s ILE 11 N 0.96 4.95 0.77 10.11 1.01 -0.57 -1.15 121.20 137.29 1pku s ILE 11 Ca -0.07 1.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 1pku s ILE 11 Cb -0.15 -4.01 0.08 0.00 0.01 0.00 0.00 42.46 38.39 1pku s ILE 11 CO -0.01 0.03 1.12 -0.54 0.00 0.00 0.00 174.94 175.54 1pku s LYS 12 N 2.36 1.97 0.18 2.79 1.02 -0.58 -1.75 119.74 125.72 1pku s LYS 12 Ca 0.31 -0.10 -0.22 0.00 0.02 0.00 0.00 55.97 55.98 1pku s LYS 12 Cb -0.16 -2.04 0.09 0.00 -0.52 0.00 0.00 37.83 35.21 1pku s LYS 12 CO 0.09 -1.50 1.59 -1.35 -0.92 0.00 0.00 175.35 173.26 1pku h PRO 13 N -0.90 -0.19 -0.94 -1.68 0.11 -1.79 -0.83 132.00 125.77 1pku h PRO 13 Ca -0.45 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.76 1pku h PRO 13 Cb 1.32 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.40 1pku h PRO 13 CO 0.61 -0.13 0.59 0.38 -0.21 0.00 0.00 178.00 179.25 1pku h ASP 14 N -0.20 0.91 0.34 -2.05 2.03 -1.91 0.63 116.42 116.16 1pku h ASP 14 Ca 0.21 0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.50 1pku h ASP 14 Cb 0.55 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1pku h ASP 14 CO -0.64 0.55 -0.16 1.23 -1.03 0.00 0.00 179.24 179.18 1pku h GLY 15 N 1.03 0.00 0.52 7.15 0.00 -1.36 -2.13 103.07 108.28 1pku h GLY 15 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.57 1pku h GLY 15 CO -0.21 0.00 -0.92 -2.08 0.00 0.00 0.00 176.54 173.34 1pku h VAL 16 N 0.00 1.37 0.00 4.60 2.07 -0.29 -2.25 116.25 121.76 1pku h VAL 16 Ca -0.00 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.06 1pku h VAL 16 Cb 0.37 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1pku h VAL 16 CO 0.02 0.68 -0.02 1.56 0.02 0.00 0.00 177.57 179.83 1pku h GLN 17 N -0.47 0.00 -0.87 1.57 1.08 -0.82 -2.07 115.11 113.53 1pku h GLN 17 Ca -0.18 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.60 1pku h GLN 17 Cb 1.58 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.76 1pku h GLN 17 CO 0.08 0.02 0.50 0.54 -0.95 0.00 0.00 178.83 179.02 1pku n ARG 18 N -3.91 2.55 -4.18 1.46 1.74 -0.81 -4.96 116.66 108.54 1pku n ARG 18 Ca -0.03 -3.05 -0.38 0.00 -0.77 0.00 0.00 57.85 53.62 1pku n ARG 18 Cb 0.11 -2.15 -0.04 0.00 -1.02 0.00 0.00 32.46 29.36 1pku n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pku n GLY 19 N -0.92 -0.47 0.61 -0.13 0.00 -0.78 -4.86 105.19 98.64 1pku n GLY 19 Ca 0.53 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.85 1pku n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pku n LEU 20 N -4.75 2.74 0.38 0.99 4.77 -0.84 -4.76 117.00 115.52 1pku n LEU 20 Ca -0.21 -1.80 -0.16 0.00 -0.03 0.00 0.00 56.01 53.80 1pku n LEU 20 Cb 0.61 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1pku n LEU 20 CO 0.78 0.66 0.53 0.40 -1.33 0.00 0.00 177.39 178.43 1pku h ILE 21 N 2.07 0.00 -0.72 -0.08 2.04 -1.89 -2.35 117.51 116.58 1pku h ILE 21 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1pku h ILE 21 Cb 0.68 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.65 1pku h ILE 21 CO 0.00 0.00 0.11 1.23 0.00 0.00 0.00 178.15 179.49 1pku h GLY 22 N -1.02 0.92 0.50 5.37 0.00 -1.98 -1.03 103.07 105.84 1pku h GLY 22 Ca -0.10 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1pku h GLY 22 CO 0.12 -0.22 -0.14 -0.55 0.00 0.00 0.00 176.54 175.74 1pku h ASP 23 N 0.20 -0.44 -0.39 0.19 3.32 -1.86 0.16 116.42 117.59 1pku h ASP 23 Ca 0.40 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.52 1pku h ASP 23 Cb 0.69 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1pku h ASP 23 CO -0.55 -0.19 0.21 0.40 -1.72 0.00 0.00 179.24 177.39 1pku h ILE 24 N -0.19 1.15 -0.08 0.35 2.04 -0.78 -2.25 117.51 117.77 1pku h ILE 24 Ca 0.09 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1pku h ILE 24 Cb 0.31 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1pku h ILE 24 CO -0.22 0.16 -0.21 0.40 0.00 0.00 0.00 178.15 178.28 1pku h ILE 25 N 0.49 1.19 -0.24 -0.67 2.04 -0.90 -2.71 117.51 116.71 1pku h ILE 25 Ca 0.14 -0.87 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 1pku h ILE 25 Cb 0.07 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1pku h ILE 25 CO -0.02 0.26 -0.36 0.28 0.00 0.00 0.00 178.15 178.31 1pku h SER 26 N 0.12 0.55 -0.76 1.72 0.02 -0.15 -0.70 113.55 114.35 1pku h SER 26 Ca 0.02 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1pku h SER 26 Cb 0.44 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1pku h SER 26 CO 0.03 0.86 0.36 0.03 -1.14 0.00 0.00 176.83 176.98 1pku h ARG 27 N 0.44 1.09 0.01 3.45 3.08 -1.10 -0.51 114.38 120.85 1pku h ARG 27 Ca 0.05 -0.16 -0.21 0.00 0.07 0.00 0.00 59.98 59.73 1pku h ARG 27 Cb 0.84 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1pku h ARG 27 CO 0.07 0.85 -0.92 0.74 -1.07 0.00 0.00 179.97 179.64 1pku h PHE 28 N 1.07 0.35 0.26 3.04 -1.00 -1.43 -2.65 116.94 116.57 1pku h PHE 28 Ca 0.26 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1pku h PHE 28 Cb 0.12 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1pku h PHE 28 CO 0.01 1.03 -0.12 0.93 -1.61 0.00 0.00 178.31 178.55 1pku h GLU 29 N 0.12 -0.33 0.00 1.51 5.08 -0.73 -2.83 114.58 117.40 1pku h GLU 29 Ca -0.06 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pku h GLU 29 Cb 1.57 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1pku h GLU 29 CO 0.14 -0.05 0.00 1.57 -1.00 0.00 0.00 179.01 179.67 1pku h LYS 30 N -0.61 0.00 0.00 2.33 2.10 -1.19 -2.14 116.57 117.06 1pku h LYS 30 Ca -0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1pku h LYS 30 Cb 0.44 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1pku h LYS 30 CO 0.06 0.00 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.26 1pku h LYS 31 N 0.00 0.00 0.00 0.07 1.63 -1.22 -3.46 116.57 113.59 1pku h LYS 31 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pku h LYS 31 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1pku h LYS 31 CO 0.00 0.03 0.00 0.41 -3.45 0.00 0.00 179.45 176.44 1pku n GLY 32 N 0.24 0.74 3.79 5.01 0.00 -0.80 -5.09 105.19 109.07 1pku n GLY 32 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1pku n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pku s PHE 33 N -2.04 2.82 -0.18 1.61 0.08 -1.16 -5.00 117.98 114.10 1pku s PHE 33 Ca 0.00 1.51 -0.06 0.00 0.12 0.00 0.00 56.93 58.50 1pku s PHE 33 Cb 0.00 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 1pku s PHE 33 CO 0.00 -1.45 0.04 0.71 -0.10 0.00 0.00 175.22 174.42 1pku s TYR 34 N -2.62 3.17 0.11 0.36 4.12 -0.80 -4.61 117.35 117.07 1pku s TYR 34 Ca 0.63 -0.08 -0.30 0.00 0.02 0.00 0.00 57.07 57.34 1pku s TYR 34 Cb -0.17 -2.07 -0.06 0.00 -1.52 0.00 0.00 41.96 38.14 1pku s TYR 34 CO 0.46 0.05 1.13 -1.17 0.02 0.00 0.00 175.55 176.03 1pku s LEU 35 N 0.51 4.42 0.00 -1.29 0.20 -1.26 -0.27 118.68 120.99 1pku s LEU 35 Ca 0.01 2.01 0.00 0.00 0.69 0.00 0.00 54.13 56.84 1pku s LEU 35 Cb -0.13 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.04 1pku s LEU 35 CO 0.01 -0.34 0.00 0.54 -0.29 0.00 0.00 176.35 176.28 1pku n ARG 36 N 3.23 1.67 -3.67 1.98 5.12 0.83 -4.93 116.66 120.89 1pku n ARG 36 Ca 0.06 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.88 1pku n ARG 36 Cb 0.47 -0.91 -0.09 0.00 -1.16 0.00 0.00 32.46 30.77 1pku n ARG 36 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1pku s GLY 37 N -1.93 -0.48 -0.17 -0.13 0.00 -1.04 -1.38 107.32 102.19 1pku s GLY 37 Ca 0.00 1.91 -0.09 0.00 0.00 0.00 0.00 44.72 46.54 1pku s GLY 37 CO 0.00 1.88 0.42 -0.29 0.00 0.00 0.00 173.10 175.11 1pku s MET 38 N 1.16 0.40 -0.12 2.90 0.00 -1.24 -0.92 119.30 121.48 1pku s MET 38 Ca -0.07 0.81 -0.14 0.00 0.00 0.00 0.00 55.69 56.28 1pku s MET 38 Cb -0.06 -0.01 0.04 0.00 0.00 0.00 0.00 34.83 34.80 1pku s MET 38 CO -0.11 -0.16 0.39 -1.59 0.00 0.00 0.00 175.02 173.54 1pku s LYS 39 N 1.44 0.52 -0.22 4.11 -2.85 -0.24 -4.97 119.74 117.53 1pku s LYS 39 Ca -0.09 0.39 -0.06 0.00 -1.00 0.00 0.00 55.97 55.20 1pku s LYS 39 Cb -0.08 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1pku s LYS 39 CO -0.13 -0.09 0.04 0.12 0.10 0.00 0.00 175.35 175.39 1pku s PHE 40 N -0.14 3.08 0.15 1.78 5.36 -1.26 0.70 117.98 127.65 1pku s PHE 40 Ca -0.03 -0.39 -0.24 0.00 -0.96 0.00 0.00 56.93 55.31 1pku s PHE 40 Cb -0.03 -2.16 0.06 0.00 -0.34 0.00 0.00 43.02 40.55 1pku s PHE 40 CO 0.02 -0.26 0.82 0.00 -1.46 0.00 0.00 175.22 174.34 1pku s MET 41 N 1.23 1.27 -0.35 10.12 0.23 0.09 -4.97 119.30 126.93 1pku s MET 41 Ca 0.04 -0.63 -0.21 0.00 -1.03 0.00 0.00 55.69 53.87 1pku s MET 41 Cb -0.15 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 1pku s MET 41 CO 0.02 -0.57 0.66 -0.80 -2.03 0.00 0.00 175.02 172.30 1pku s ASN 42 N -2.80 6.46 0.20 -1.18 0.01 -1.26 -0.58 114.94 115.78 1pku s ASN 42 Ca 0.08 0.24 -0.30 0.00 -0.71 0.00 0.00 52.86 52.17 1pku s ASN 42 Cb -0.02 -2.34 -0.08 0.00 0.41 0.00 0.00 41.25 39.21 1pku s ASN 42 CO -0.02 -0.59 1.25 -0.69 -1.51 0.00 0.00 177.10 175.54 1pku s VAL 43 N 2.75 3.37 0.10 1.60 1.01 -1.26 -5.02 120.40 122.95 1pku s VAL 43 Ca 0.26 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 1pku s VAL 43 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1pku s VAL 43 CO 0.14 0.18 0.27 -0.70 0.00 0.00 0.00 175.10 174.99 1pku s GLU 44 N -0.23 3.48 0.10 2.72 2.56 -1.26 -4.57 118.70 121.50 1pku s GLU 44 Ca 0.55 -0.39 -0.23 0.00 0.00 0.00 0.00 54.97 54.90 1pku s GLU 44 Cb -0.35 -2.98 -0.07 0.00 2.00 0.00 0.00 34.13 32.74 1pku s GLU 44 CO 0.38 0.55 1.38 0.00 -0.56 0.00 0.00 175.26 177.01 1pku h ARG 45 N 2.81 -0.20 -0.49 4.30 3.08 -1.95 0.26 114.38 122.19 1pku h ARG 45 Ca -0.46 0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.70 1pku h ARG 45 Cb 1.17 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.16 1pku h ARG 45 CO 0.74 -0.13 -0.22 0.66 -1.07 0.00 0.00 179.97 179.95 1pku h SER 46 N -0.21 -0.75 -0.65 7.04 4.64 -2.00 -0.24 113.55 121.39 1pku h SER 46 Ca 0.07 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1pku h SER 46 Cb 0.38 0.41 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 1pku h SER 46 CO -0.48 -0.24 0.42 0.15 -0.87 0.00 0.00 176.83 175.81 1pku h PHE 47 N -0.11 0.83 -0.31 4.77 -0.00 -1.81 -2.10 116.94 118.22 1pku h PHE 47 Ca 0.23 0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 58.21 1pku h PHE 47 Cb 0.46 -0.28 -0.02 0.00 -0.00 0.00 0.00 35.95 36.12 1pku h PHE 47 CO -0.49 0.54 0.18 0.00 -0.00 0.00 0.00 178.31 178.54 1pku h ALA 48 N 1.23 1.75 -0.15 2.41 0.00 0.11 0.76 119.26 125.36 1pku h ALA 48 Ca 0.24 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1pku h ALA 48 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1pku h ALA 48 CO -0.05 0.22 -0.57 1.96 0.00 0.00 0.00 179.25 180.81 1pku h GLN 49 N 0.42 0.49 -0.64 0.00 4.20 -0.58 -1.13 115.11 117.87 1pku h GLN 49 Ca 0.11 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1pku h GLN 49 Cb -0.01 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1pku h GLN 49 CO -0.02 0.92 0.31 1.96 -0.67 0.00 0.00 178.83 181.33 1pku h GLN 50 N 0.37 0.92 -0.10 1.46 4.20 -0.43 -0.76 115.11 120.77 1pku h GLN 50 Ca 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1pku h GLN 50 Cb 1.11 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 1pku h GLN 50 CO 0.10 0.73 0.02 1.25 -0.67 0.00 0.00 178.83 180.27 1pku h HIS 51 N 0.89 0.16 -0.65 2.96 2.76 -0.58 -3.01 115.15 117.67 1pku h HIS 51 Ca 0.22 -0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 58.03 1pku h HIS 51 Cb 0.11 -0.05 -0.20 0.00 1.55 0.00 0.00 27.41 28.83 1pku h HIS 51 CO 0.00 0.32 0.44 0.66 -1.30 0.00 0.00 177.93 178.05 1pku n TYR 52 N -4.88 2.01 -0.21 5.26 4.01 -0.46 -4.55 117.16 118.34 1pku n TYR 52 Ca -0.06 -1.42 -0.07 0.00 -0.16 0.00 0.00 57.90 56.19 1pku n TYR 52 Cb 0.15 -0.72 0.03 0.00 -0.31 0.00 0.00 39.34 38.48 1pku n TYR 52 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pku h ALA 53 N 1.36 0.77 0.00 -0.72 0.00 -0.99 -2.21 119.26 117.47 1pku h ALA 53 Ca 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pku h ALA 53 Cb 2.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1pku h ALA 53 CO 0.74 0.36 0.00 -0.25 0.00 0.00 0.00 179.25 180.09 1pku n ASP 54 N -4.50 0.00 -0.08 0.00 8.00 -1.26 -0.52 116.55 118.18 1pku n ASP 54 Ca 0.04 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.55 1pku n ASP 54 Cb 0.14 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 1pku n ASP 54 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pku n LEU 55 N -0.96 1.08 0.11 0.64 4.77 -0.84 -4.79 117.00 117.01 1pku n LEU 55 Ca 0.00 -1.35 0.19 0.00 -0.03 0.00 0.00 56.01 54.83 1pku n LEU 55 Cb 0.00 -0.07 0.76 0.00 -2.33 0.00 0.00 43.42 41.78 1pku n LEU 55 CO 0.00 0.33 1.17 0.77 -1.33 0.00 0.00 177.39 178.33 1pku h SER 56 N 0.00 0.00 0.31 -1.43 4.64 -0.70 -0.92 113.55 115.44 1pku h SER 56 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1pku h SER 56 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1pku h SER 56 CO 0.00 0.00 -0.15 0.44 -0.87 0.00 0.00 176.83 176.25 1pku h ASP 57 N 0.00 -0.35 -2.19 4.97 5.19 -1.87 -3.47 116.42 118.70 1pku h ASP 57 Ca 0.17 -0.19 -0.57 0.00 -0.62 0.00 0.00 57.03 55.82 1pku h ASP 57 Cb 0.89 0.09 0.21 0.00 0.18 0.00 0.00 39.33 40.70 1pku h ASP 57 CO -0.00 0.08 -1.44 0.29 -3.12 0.00 0.00 179.24 175.05 1pku n LYS 58 N -5.09 0.01 -0.07 3.56 4.76 -0.35 -4.96 118.16 116.01 1pku n LYS 58 Ca -0.09 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.23 1pku n LYS 58 Cb 0.27 -1.12 -0.06 0.00 -1.84 0.00 0.00 35.03 32.28 1pku n LYS 58 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1pku h PRO 59 N -0.66 0.47 0.00 1.97 0.11 -1.91 -3.25 132.00 128.74 1pku h PRO 59 Ca -0.43 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.45 1pku h PRO 59 Cb 1.35 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1pku h PRO 59 CO 0.31 0.79 0.00 1.97 -0.21 0.00 0.00 178.00 180.87 1pku n PHE 60 N -4.48 0.00 0.39 0.65 1.16 -1.26 -4.15 117.46 109.76 1pku n PHE 60 Ca -0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.35 1pku n PHE 60 Cb 0.37 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.15 1pku n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1pku h PHE 61 N 0.00 -0.91 -0.76 2.97 3.57 -1.80 -1.39 116.94 118.61 1pku h PHE 61 Ca 0.00 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1pku h PHE 61 Cb 0.00 0.30 -0.11 0.00 2.79 0.00 0.00 35.95 38.93 1pku h PHE 61 CO 0.00 -0.56 0.21 -1.35 -2.23 0.00 0.00 178.31 174.38 1pku h PRO 62 N -0.97 0.28 -0.53 6.41 0.11 -1.85 0.68 132.00 136.13 1pku h PRO 62 Ca -0.10 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1pku h PRO 62 Cb 0.75 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1pku h PRO 62 CO 0.15 0.19 0.29 0.78 -0.21 0.00 0.00 178.00 179.20 1pku h GLY 63 N 0.29 0.80 0.54 -0.55 0.00 -1.81 -0.11 103.07 102.23 1pku h GLY 63 Ca 0.44 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1pku h GLY 63 CO -0.51 0.36 -0.17 1.41 0.00 0.00 0.00 176.54 177.62 1pku h LEU 64 N 0.72 -0.51 0.27 3.11 4.07 0.23 0.60 115.31 123.80 1pku h LEU 64 Ca 0.19 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1pku h LEU 64 Cb 0.06 0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1pku h LEU 64 CO -0.03 -0.23 -0.34 0.58 -1.08 0.00 0.00 178.44 177.35 1pku h VAL 65 N -0.26 0.30 -0.53 1.22 2.07 -0.88 -2.41 116.25 115.75 1pku h VAL 65 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1pku h VAL 65 Cb 0.35 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1pku h VAL 65 CO -0.19 0.00 0.16 -0.33 0.02 0.00 0.00 177.57 177.22 1pku h GLU 66 N -0.66 0.31 -0.18 1.57 3.07 -0.79 -2.97 114.58 114.93 1pku h GLU 66 Ca -0.01 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1pku h GLU 66 Cb 0.62 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1pku h GLU 66 CO -0.10 0.20 0.10 -0.92 -1.40 0.00 0.00 179.01 176.89 1pku h TYR 67 N 0.31 0.24 0.00 4.33 5.03 -0.66 -2.72 116.97 123.51 1pku h TYR 67 Ca 0.27 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1pku h TYR 67 Cb 0.34 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1pku h TYR 67 CO -0.19 0.22 0.00 1.51 -1.32 0.00 0.00 178.16 178.38 1pku n ILE 68 N -4.92 0.96 0.41 1.81 3.06 -0.93 -1.66 119.36 118.09 1pku n ILE 68 Ca -0.04 0.25 0.12 0.00 -2.50 0.00 0.00 62.75 60.58 1pku n ILE 68 Cb 0.07 -1.05 0.10 0.00 0.54 0.00 0.00 39.64 39.30 1pku n ILE 68 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1pku h ILE 69 N 0.00 0.00 0.00 9.51 5.03 -1.33 -3.37 117.51 127.35 1pku h ILE 69 Ca 0.00 -0.66 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 1pku h ILE 69 Cb 0.28 1.20 0.00 0.00 -3.03 0.00 0.00 36.82 35.27 1pku h ILE 69 CO 0.00 0.00 0.00 -1.54 -0.68 0.00 0.00 178.15 175.93 1pku n SER 70 N -2.30 0.69 -3.58 1.72 3.41 -0.67 -4.81 113.62 108.08 1pku n SER 70 Ca 0.02 0.68 -0.14 0.00 -0.26 0.00 0.00 58.87 59.17 1pku n SER 70 Cb 0.48 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 1pku n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pku s GLY 71 N -3.57 -0.42 0.59 5.00 0.00 -1.26 -5.10 107.32 102.56 1pku s GLY 71 Ca 0.04 1.89 -0.19 0.00 0.00 0.00 0.00 44.72 46.46 1pku s GLY 71 CO 0.39 1.31 1.02 -1.55 0.00 0.00 0.00 173.10 174.27 1pku n PRO 72 N 1.50 0.98 -4.54 2.90 -0.04 -1.26 -4.50 135.00 130.05 1pku n PRO 72 Ca -0.15 0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1pku n PRO 72 Cb 0.57 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.70 1pku n PRO 72 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1pku s VAL 73 N -1.48 1.44 -0.23 0.52 -7.23 0.25 -4.20 120.40 109.47 1pku s VAL 73 Ca 0.76 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1pku s VAL 73 Cb -0.42 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 33.74 1pku s VAL 73 CO 0.47 0.00 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.48 1pku s VAL 74 N -3.05 2.68 -0.20 1.32 1.01 -0.72 -0.73 120.40 120.71 1pku s VAL 74 Ca 0.33 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 1pku s VAL 74 Cb 0.08 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1pku s VAL 74 CO 0.16 0.27 0.43 0.00 0.00 0.00 0.00 175.10 175.96 1pku s ALA 75 N 1.31 3.55 0.22 5.51 0.00 0.22 -1.51 121.76 131.07 1pku s ALA 75 Ca 0.01 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1pku s ALA 75 Cb -0.16 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 1pku s ALA 75 CO -0.06 -0.33 -0.02 -1.64 0.00 0.00 0.00 175.76 173.70 1pku s MET 76 N 1.38 1.32 -0.11 0.00 -1.94 0.38 -1.08 119.30 119.26 1pku s MET 76 Ca 0.20 -1.66 -0.04 0.00 -1.71 0.00 0.00 55.69 52.48 1pku s MET 76 Cb -0.15 -0.66 0.06 0.00 2.01 0.00 0.00 34.83 36.09 1pku s MET 76 CO 0.08 -0.06 0.23 0.08 -0.01 0.00 0.00 175.02 175.34 1pku s VAL 77 N -3.37 -0.29 0.25 -6.03 1.01 -0.10 -1.69 120.40 110.17 1pku s VAL 77 Ca 0.27 0.27 0.11 0.00 0.00 0.00 0.00 61.98 62.63 1pku s VAL 77 Cb 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1pku s VAL 77 CO 0.08 0.11 -0.14 0.26 0.00 0.00 0.00 175.10 175.41 1pku s TRP 78 N 2.10 2.45 0.04 5.22 0.52 -0.75 -0.12 118.94 128.40 1pku s TRP 78 Ca -0.01 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.85 1pku s TRP 78 Cb -0.12 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1pku s TRP 78 CO -0.08 0.62 -0.09 -2.00 0.02 0.00 0.00 176.95 175.43 1pku s GLU 79 N -3.30 0.57 0.00 4.98 2.12 0.63 -1.86 118.70 121.83 1pku s GLU 79 Ca 0.28 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1pku s GLU 79 Cb -0.06 -0.37 0.00 0.00 0.26 0.00 0.00 34.13 33.95 1pku s GLU 79 CO 0.15 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 1pku n GLY 80 N 1.50 2.15 3.67 -1.50 0.00 -0.85 -1.90 105.19 108.27 1pku n GLY 80 Ca -0.22 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 1pku n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pku n LYS 81 N -1.66 2.67 -2.35 1.61 4.81 -1.24 -2.47 118.16 119.53 1pku n LYS 81 Ca 0.00 0.98 -0.18 0.00 -0.87 0.00 0.00 58.31 58.24 1pku n LYS 81 Cb 0.00 -2.90 -0.01 0.00 0.02 0.00 0.00 35.03 32.15 1pku n LYS 81 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1pku n ASP 82 N 7.04 -5.20 0.23 3.14 4.64 -1.26 -4.92 116.55 120.21 1pku n ASP 82 Ca 0.20 -0.02 0.07 0.00 -1.38 0.00 0.00 54.79 53.66 1pku n ASP 82 Cb 0.37 -4.28 0.57 0.00 -1.04 0.00 0.00 41.12 36.75 1pku n ASP 82 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1pku h VAL 83 N -0.02 1.05 0.39 5.18 -1.51 -1.77 0.69 116.25 120.26 1pku h VAL 83 Ca -0.42 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 64.79 1pku h VAL 83 Cb 1.31 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1pku h VAL 83 CO 0.50 0.07 -0.19 0.58 -1.23 0.00 0.00 177.57 177.30 1pku h VAL 84 N 0.05 0.38 -0.40 7.19 2.07 -1.87 0.80 116.25 124.47 1pku h VAL 84 Ca 0.01 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 1pku h VAL 84 Cb 0.11 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pku h VAL 84 CO 0.01 0.08 -0.17 0.00 0.02 0.00 0.00 177.57 177.50 1pku h ALA 85 N -0.71 0.56 -0.31 1.67 0.00 -1.83 -2.43 119.26 116.21 1pku h ALA 85 Ca -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1pku h ALA 85 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pku h ALA 85 CO 0.09 0.50 -0.34 1.15 0.00 0.00 0.00 179.25 180.65 1pku h THR 86 N 0.64 1.28 -1.00 0.00 2.02 0.29 -1.19 112.91 114.96 1pku h THR 86 Ca 0.09 -1.48 0.06 0.00 0.77 0.00 0.00 66.41 65.85 1pku h THR 86 Cb 0.72 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 1pku h THR 86 CO 0.05 0.48 0.65 1.23 0.37 0.00 0.00 175.52 178.30 1pku h GLY 87 N 0.99 1.50 0.89 2.16 0.00 -0.70 0.39 103.07 108.29 1pku h GLY 87 Ca 0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1pku h GLY 87 CO 0.07 0.36 0.01 3.21 0.00 0.00 0.00 176.54 180.19 1pku h ARG 88 N 1.19 0.55 0.19 4.80 3.08 -1.13 -1.39 114.38 121.67 1pku h ARG 88 Ca 0.42 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1pku h ARG 88 Cb 0.12 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1pku h ARG 88 CO -0.16 0.68 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.24 1pku h ARG 89 N 0.35 -0.24 -0.97 0.04 2.43 -0.41 -1.41 114.38 114.17 1pku h ARG 89 Ca 0.09 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.40 1pku h ARG 89 Cb 0.43 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.95 1pku h ARG 89 CO 0.01 -0.12 0.59 0.82 -1.51 0.00 0.00 179.97 179.76 1pku h ILE 90 N -0.30 0.88 -0.20 1.20 2.04 -0.18 -2.30 117.51 118.66 1pku h ILE 90 Ca -0.03 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.35 1pku h ILE 90 Cb 0.23 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1pku h ILE 90 CO 0.04 0.17 -0.55 0.40 0.00 0.00 0.00 178.15 178.21 1pku h ILE 91 N 0.92 1.31 0.00 -0.67 2.04 -1.00 -1.19 117.51 118.92 1pku h ILE 91 Ca 0.49 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1pku h ILE 91 Cb 0.52 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1pku h ILE 91 CO -0.28 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.04 1pku n GLY 92 N 0.28 -0.47 3.33 5.37 0.00 -0.55 -1.51 105.19 111.64 1pku n GLY 92 Ca -0.03 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 1pku n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pku n ALA 93 N -0.47 -2.59 -0.19 4.61 0.00 -1.26 -4.88 120.51 115.74 1pku n ALA 93 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1pku n ALA 93 Cb 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 19.45 17.86 1pku n ALA 93 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pku h THR 94 N -0.39 1.16 -3.54 0.00 2.02 -1.97 -3.38 112.91 106.80 1pku h THR 94 Ca -0.44 -0.33 -0.59 0.00 0.77 0.00 0.00 66.41 65.82 1pku h THR 94 Cb 1.37 0.39 -0.10 0.00 -1.74 0.00 0.00 68.15 68.07 1pku h THR 94 CO 0.39 0.16 0.59 -0.13 0.37 0.00 0.00 175.52 176.90 1pku s ARG 95 N -6.05 3.76 0.27 6.66 0.52 -1.26 -4.49 118.95 118.35 1pku s ARG 95 Ca -0.13 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 1pku s ARG 95 Cb 0.12 -3.84 0.61 0.00 0.52 0.00 0.00 34.95 32.36 1pku s ARG 95 CO 0.75 -1.02 1.70 -1.35 0.02 0.00 0.00 175.30 175.40 1pku h PRO 96 N 8.65 0.38 0.00 3.54 0.11 -1.82 0.40 132.00 143.26 1pku h PRO 96 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1pku h PRO 96 Cb 1.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1pku h PRO 96 CO 0.99 0.25 0.00 -2.67 -0.21 0.00 0.00 178.00 176.36 1pku n TRP 97 N -5.05 0.00 -0.03 0.65 2.14 -1.26 -2.54 117.44 111.35 1pku n TRP 97 Ca 0.19 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.72 1pku n TRP 97 Cb 0.55 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.01 1pku n TRP 97 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1pku n GLU 98 N -0.84 2.36 -0.79 -2.67 1.02 0.12 -5.04 120.64 114.80 1pku n GLU 98 Ca 0.10 0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.92 1pku n GLU 98 Cb 0.05 -1.13 0.12 0.00 -0.02 0.00 0.00 31.44 30.46 1pku n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pku n ALA 99 N -2.33 -2.61 -2.35 0.62 0.00 -0.25 -4.82 120.51 108.77 1pku n ALA 99 Ca -0.09 -0.63 -0.38 0.00 0.00 0.00 0.00 53.44 52.33 1pku n ALA 99 Cb 0.66 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1pku n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pku s ALA 100 N -2.40 3.62 0.57 0.00 0.00 -1.26 -4.80 121.76 117.49 1pku s ALA 100 Ca 0.57 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.28 1pku s ALA 100 Cb -0.21 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.30 1pku s ALA 100 CO 0.67 0.43 0.89 -2.30 0.00 0.00 0.00 175.76 175.46 1pku n PRO 101 N 1.68 0.90 0.00 0.00 -0.02 -1.26 -1.68 135.00 134.62 1pku n PRO 101 Ca -0.11 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1pku n PRO 101 Cb 0.51 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1pku n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pku n GLY 102 N 1.36 3.39 3.91 -1.23 0.00 -1.26 -5.04 105.19 106.31 1pku n GLY 102 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1pku n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pku s THR 103 N -2.81 4.98 0.14 2.61 -4.23 -0.68 -4.99 115.64 110.66 1pku s THR 103 Ca 0.00 0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.38 1pku s THR 103 Cb 0.00 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 70.07 1pku s THR 103 CO 0.00 -0.49 1.67 0.40 -0.54 0.00 0.00 174.62 175.66 1pku h ILE 104 N 0.99 0.61 -0.09 2.99 2.04 -1.25 -2.34 117.51 120.47 1pku h ILE 104 Ca -0.48 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1pku h ILE 104 Cb 1.20 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1pku h ILE 104 CO 0.64 0.00 -0.31 0.03 0.00 0.00 0.00 178.15 178.51 1pku h ARG 105 N -0.12 0.16 0.00 2.37 3.08 -1.54 0.26 114.38 118.59 1pku h ARG 105 Ca 0.12 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1pku h ARG 105 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pku h ARG 105 CO -0.29 0.46 -0.31 0.00 -1.07 0.00 0.00 179.97 178.77 1pku h ALA 106 N 1.54 0.98 0.03 0.04 0.00 -1.70 -2.32 119.26 117.83 1pku h ALA 106 Ca 0.02 -0.28 -0.35 0.00 0.00 0.00 0.00 54.91 54.30 1pku h ALA 106 Cb 0.63 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1pku h ALA 106 CO 0.05 0.39 -2.10 -0.25 0.00 0.00 0.00 179.25 177.33 1pku n ASP 107 N -3.43 1.25 -0.00 0.00 8.00 -0.90 -4.69 116.55 116.77 1pku n ASP 107 Ca 0.00 0.15 0.02 0.00 0.71 0.00 0.00 54.79 55.68 1pku n ASP 107 Cb 0.49 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1pku n ASP 107 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1pku n TYR 108 N -3.14 0.00 -4.23 1.24 0.53 0.03 -5.06 117.16 106.53 1pku n TYR 108 Ca -0.31 0.00 -0.23 0.00 -1.02 0.00 0.00 57.90 56.35 1pku n TYR 108 Cb 1.06 -0.02 -0.06 0.00 -1.03 0.00 0.00 39.34 39.29 1pku n TYR 108 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1pku s ALA 109 N -1.57 3.29 0.00 -0.72 0.00 -0.87 -4.96 121.76 116.94 1pku s ALA 109 Ca 0.01 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1pku s ALA 109 Cb 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1pku s ALA 109 CO 0.20 0.24 0.00 0.28 0.00 0.00 0.00 175.76 176.47 1pku n VAL 110 N -0.99 0.00 -4.56 0.00 0.31 -1.26 -4.77 118.33 107.07 1pku n VAL 110 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.05 1pku n VAL 110 Cb 0.59 -0.40 -0.15 0.00 -0.91 0.00 0.00 33.84 32.97 1pku n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1pku s GLU 111 N -1.64 1.04 0.27 5.55 2.02 -1.26 -4.56 118.70 120.12 1pku s GLU 111 Ca 0.00 -0.44 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 1pku s GLU 111 Cb 0.00 -1.00 0.43 0.00 0.10 0.00 0.00 34.13 33.67 1pku s GLU 111 CO 0.00 0.26 1.57 0.28 0.02 0.00 0.00 175.26 177.39 1pku h VAL 112 N 4.89 0.08 0.00 2.63 2.07 -1.96 0.57 116.25 124.52 1pku h VAL 112 Ca -0.33 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1pku h VAL 112 Cb 1.17 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1pku h VAL 112 CO 0.49 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.69 1pku n GLY 113 N -1.58 -1.00 2.58 2.17 0.00 -1.26 -2.37 105.19 103.73 1pku n GLY 113 Ca 0.15 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1pku n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pku n ARG 114 N -2.07 2.15 -0.31 1.61 5.12 0.19 -4.93 116.66 118.42 1pku n ARG 114 Ca 0.01 -3.70 -0.02 0.00 -1.93 0.00 0.00 57.85 52.22 1pku n ARG 114 Cb 0.13 -1.72 0.01 0.00 -1.16 0.00 0.00 32.46 29.71 1pku n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1pku n ASN 115 N -0.45 4.29 0.00 0.55 0.23 -0.57 -4.52 115.26 114.80 1pku n ASN 115 Ca 0.19 -2.29 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 1pku n ASN 115 Cb 0.82 -0.83 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1pku n ASN 115 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1pku n VAL 116 N 0.91 0.00 -4.45 3.53 0.31 -1.26 -4.79 118.33 112.58 1pku n VAL 116 Ca 0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.14 1pku n VAL 116 Cb 0.53 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.37 1pku n VAL 116 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1pku s ILE 117 N 0.00 0.77 -0.01 2.52 2.07 -1.26 -1.52 121.20 123.76 1pku s ILE 117 Ca 0.00 -2.00 -0.03 0.00 -1.41 0.00 0.00 60.65 57.21 1pku s ILE 117 Cb 0.00 -2.55 0.00 0.00 0.13 0.00 0.00 42.46 40.04 1pku s ILE 117 CO 0.00 0.00 0.08 -2.28 -1.91 0.00 0.00 174.94 170.83 1pku s HIS 118 N -3.35 0.01 -0.00 3.50 5.65 -0.30 -4.91 115.29 115.89 1pku s HIS 118 Ca 0.31 -0.01 -0.04 0.00 0.25 0.00 0.00 55.06 55.57 1pku s HIS 118 Cb 0.06 -0.03 -0.00 0.00 -1.18 0.00 0.00 32.58 31.42 1pku s HIS 118 CO 0.15 -0.13 0.08 0.20 -0.65 0.00 0.00 174.74 174.39 1pku s GLY 119 N -0.61 0.06 0.11 1.59 0.00 -1.26 -1.26 107.32 105.95 1pku s GLY 119 Ca -0.07 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.21 1pku s GLY 119 CO 0.00 -0.22 1.79 -0.56 0.00 0.00 0.00 173.10 174.11 1pku s SER 120 N -0.99 6.46 0.00 1.64 0.01 -0.89 -4.87 113.70 115.06 1pku s SER 120 Ca -0.11 2.70 0.27 0.00 1.31 0.00 0.00 55.95 60.12 1pku s SER 120 Cb -0.06 -2.57 1.51 0.00 0.21 0.00 0.00 66.02 65.11 1pku s SER 120 CO 0.00 -0.98 1.98 -0.90 0.41 0.00 0.00 173.24 173.76 1pku n ASP 121 N 5.68 0.24 -3.49 2.44 5.68 -1.26 -4.78 116.55 121.06 1pku n ASP 121 Ca 0.17 -1.22 -0.11 0.00 -0.50 0.00 0.00 54.79 53.13 1pku n ASP 121 Cb 0.39 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.33 1pku n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1pku s SER 122 N -1.84 -0.48 0.31 -1.12 1.04 -1.26 -4.96 113.70 105.39 1pku s SER 122 Ca 0.40 0.17 0.01 0.00 0.48 0.00 0.00 55.95 57.00 1pku s SER 122 Cb 0.19 0.47 0.55 0.00 0.10 0.00 0.00 66.02 67.33 1pku s SER 122 CO 0.31 -0.70 1.94 -0.37 0.98 0.00 0.00 173.24 175.40 1pku h VAL 123 N 2.23 1.10 -0.09 5.02 -1.51 -1.91 0.45 116.25 121.54 1pku h VAL 123 Ca -0.26 -0.34 -0.13 0.00 -1.23 0.00 0.00 66.70 64.74 1pku h VAL 123 Cb 1.24 0.02 0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1pku h VAL 123 CO 0.35 0.18 -0.44 0.44 -1.23 0.00 0.00 177.57 176.86 1pku h ASP 124 N 1.00 0.55 0.27 4.19 3.32 -1.96 -1.35 116.42 122.44 1pku h ASP 124 Ca 0.35 -0.65 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1pku h ASP 124 Cb 0.11 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1pku h ASP 124 CO -0.11 1.10 -0.16 0.78 -1.72 0.00 0.00 179.24 179.13 1pku h ASN 125 N 0.03 0.00 -0.18 6.45 2.35 -1.91 -0.75 115.58 121.58 1pku h ASN 125 Ca -0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1pku h ASN 125 Cb 1.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 1pku h ASN 125 CO 0.09 0.16 -0.14 1.23 -1.65 0.00 0.00 177.43 177.13 1pku h GLY 126 N 0.70 0.44 1.63 2.83 0.00 -0.75 0.07 103.07 107.99 1pku h GLY 126 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1pku h GLY 126 CO 0.02 0.39 0.16 0.50 0.00 0.00 0.00 176.54 177.61 1pku h LYS 127 N 0.06 0.48 -0.07 4.80 1.57 -0.40 0.84 116.57 123.86 1pku h LYS 127 Ca 0.03 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1pku h LYS 127 Cb 0.65 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1pku h LYS 127 CO 0.04 0.39 -0.57 0.87 -0.57 0.00 0.00 179.45 179.60 1pku h LYS 128 N 0.49 0.52 -0.55 3.15 1.57 -1.00 -2.52 116.57 118.23 1pku h LYS 128 Ca 0.12 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 1pku h LYS 128 Cb 0.07 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1pku h LYS 128 CO -0.02 1.09 0.17 0.93 -0.57 0.00 0.00 179.45 181.06 1pku h GLU 129 N 0.10 0.85 -0.78 3.15 5.08 -0.59 -1.76 114.58 120.63 1pku h GLU 129 Ca -0.05 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1pku h GLU 129 Cb 1.23 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1pku h GLU 129 CO 0.12 0.78 0.39 0.82 -1.00 0.00 0.00 179.01 180.12 1pku h ILE 130 N 0.76 1.24 0.00 3.13 2.04 -0.89 -0.91 117.51 122.88 1pku h ILE 130 Ca 0.18 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1pku h ILE 130 Cb 0.28 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1pku h ILE 130 CO -0.01 0.28 -0.26 0.00 0.00 0.00 0.00 178.15 178.16 1pku h ALA 131 N 1.33 1.33 0.13 1.87 0.00 -1.02 0.31 119.26 123.21 1pku h ALA 131 Ca 0.27 -0.24 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 1pku h ALA 131 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pku h ALA 131 CO -0.04 0.32 -1.64 1.25 0.00 0.00 0.00 179.25 179.14 1pku h LEU 132 N 0.00 0.42 0.00 0.00 6.46 -0.50 -3.32 115.31 118.37 1pku h LEU 132 Ca -0.00 -0.64 -0.22 0.00 -0.12 0.00 0.00 57.88 56.90 1pku h LEU 132 Cb 0.54 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1pku h LEU 132 CO 0.03 1.54 -1.64 0.79 -0.62 0.00 0.00 178.44 178.55 1pku n TRP 133 N -3.46 0.83 -3.00 1.25 7.02 -0.42 -4.53 117.44 115.12 1pku n TRP 133 Ca -0.20 0.28 -0.23 0.00 -1.02 0.00 0.00 57.50 56.33 1pku n TRP 133 Cb 1.05 -1.08 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 1pku n TRP 133 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1pku n PHE 134 N -2.89 2.62 0.23 -5.99 3.01 0.09 -4.84 117.46 109.69 1pku n PHE 134 Ca -0.14 -3.87 0.06 0.00 1.01 0.00 0.00 57.45 54.51 1pku n PHE 134 Cb 0.92 -0.44 0.52 0.00 -0.01 0.00 0.00 39.48 40.47 1pku n PHE 134 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1pku h PRO 135 N 2.97 0.00 0.00 -1.08 0.13 -1.73 -1.34 132.00 130.96 1pku h PRO 135 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1pku h PRO 135 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1pku h PRO 135 CO 0.70 0.19 0.00 -0.85 -0.23 0.00 0.00 178.00 177.82 1pku n GLU 136 N -4.19 0.00 0.00 0.86 0.00 -1.26 -4.98 120.64 111.07 1pku n GLU 136 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 57.16 57.39 1pku n GLU 136 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.20 1pku n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pku n GLY 137 N -0.06 0.54 3.65 -1.84 0.00 -0.50 -5.08 105.19 101.89 1pku n GLY 137 Ca 0.03 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 1pku n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pku s LEU 138 N 0.00 2.73 0.01 0.99 1.43 -1.26 -4.91 118.68 117.66 1pku s LEU 138 Ca 0.00 -1.43 -0.26 0.00 -1.03 0.00 0.00 54.13 51.41 1pku s LEU 138 Cb 0.00 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1pku s LEU 138 CO 0.00 -0.54 0.80 0.00 0.23 0.00 0.00 176.35 176.83 1pku s ALA 139 N -2.76 3.31 -0.12 4.21 0.00 -0.48 -5.06 121.76 120.86 1pku s ALA 139 Ca 0.29 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1pku s ALA 139 Cb 0.08 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1pku s ALA 139 CO 0.15 -0.04 0.18 -1.21 0.00 0.00 0.00 175.76 174.83 1pku s GLU 140 N 0.39 3.66 0.00 0.00 2.02 -1.26 -4.81 118.70 118.69 1pku s GLU 140 Ca 0.41 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1pku s GLU 140 Cb -0.20 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1pku s GLU 140 CO 0.23 0.66 0.00 -2.67 0.02 0.00 0.00 175.26 173.50 1pku n TRP 141 N 2.30 0.00 -3.96 1.61 4.27 -1.26 -5.16 117.44 115.23 1pku n TRP 141 Ca -0.18 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.23 1pku n TRP 141 Cb 0.54 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.32 1pku n TRP 141 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1pku s ARG 142 N -2.00 0.57 0.24 -2.67 0.52 -1.26 -5.13 118.95 109.22 1pku s ARG 142 Ca 0.00 0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 54.94 1pku s ARG 142 Cb 0.00 -0.75 -0.10 0.00 0.52 0.00 0.00 34.95 34.63 1pku s ARG 142 CO 0.00 -0.17 1.35 0.45 0.02 0.00 0.00 175.30 176.95 1pku s SER 143 N 1.28 6.80 0.00 0.23 0.15 -1.26 -4.91 113.70 115.98 1pku s SER 143 Ca -0.06 2.55 0.20 0.00 0.70 0.00 0.00 55.95 59.34 1pku s SER 143 Cb -0.13 -2.62 0.98 0.00 -1.71 0.00 0.00 66.02 62.54 1pku s SER 143 CO -0.02 -0.58 1.62 0.59 1.20 0.00 0.00 173.24 176.05 1pku n ASN 144 N 2.13 0.00 -1.04 5.45 4.13 -1.26 -1.82 115.26 122.85 1pku n ASN 144 Ca 0.05 0.06 0.12 0.00 1.68 0.00 0.00 54.58 56.49 1pku n ASN 144 Cb 0.42 -0.31 0.15 0.00 -1.54 0.00 0.00 39.78 38.50 1pku n ASN 144 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pku n LEU 145 N -1.31 3.19 -0.20 3.41 4.77 -1.26 -4.57 117.00 121.03 1pku n LEU 145 Ca 0.09 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1pku n LEU 145 Cb 0.17 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1pku n LEU 145 CO 0.15 0.60 0.81 -0.74 -1.33 0.00 0.00 177.39 176.89 1pku h HIS 146 N 4.61 -0.11 0.00 -1.77 2.76 -1.75 0.19 115.15 119.07 1pku h HIS 146 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1pku h HIS 146 Cb 0.99 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1pku h HIS 146 CO 0.10 -0.19 0.00 -0.35 -1.30 0.00 0.00 177.93 176.20 1pku n PRO 147 N -5.31 0.08 0.00 5.26 -0.04 -1.26 -1.07 135.00 132.65 1pku n PRO 147 Ca 0.08 0.51 0.08 0.00 -0.04 0.00 0.00 63.50 64.13 1pku n PRO 147 Cb 0.34 -1.72 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 1pku n PRO 147 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1pku n TRP 148 N -1.89 0.00 -0.11 0.54 7.02 0.01 -4.40 117.44 118.61 1pku n TRP 148 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 1pku n TRP 148 Cb 0.06 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.82 1pku n TRP 148 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1pku n ILE 149 N -1.34 1.47 -4.44 -0.99 5.41 -0.64 -5.03 119.36 113.81 1pku n ILE 149 Ca 0.03 -0.71 -0.20 0.00 1.00 0.00 0.00 62.75 62.88 1pku n ILE 149 Cb 0.26 -1.01 -0.04 0.00 -0.71 0.00 0.00 39.64 38.14 1pku n ILE 149 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1pku n TYR 150 N -3.04 0.66 -0.91 1.39 4.02 -0.24 -5.11 117.16 113.94 1pku n TYR 150 Ca -0.39 -1.52 0.00 0.00 -0.01 0.00 0.00 57.90 55.99 1pku n TYR 150 Cb 1.07 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 40.18 1pku n TYR 150 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94