#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk9 s THR 2 N 0.00 2.21 0.47 0.00 -4.23 -0.03 -4.94 115.64 109.10 1pk9 s THR 2 Ca 0.00 -1.60 0.23 0.00 -1.18 0.00 0.00 61.69 59.14 1pk9 s THR 2 Cb 0.00 -2.80 0.42 0.00 1.34 0.00 0.00 72.50 71.45 1pk9 s THR 2 CO 0.00 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.31 1pk9 h PRO 3 N 1.21 0.23 -0.03 3.99 0.11 -2.01 -2.87 132.00 132.63 1pk9 h PRO 3 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pk9 h PRO 3 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pk9 h PRO 3 CO 0.65 0.15 0.00 0.72 -0.21 0.00 0.00 178.00 179.31 1pk9 n HIS 4 N -4.42 0.04 -3.64 0.65 8.25 -1.26 -4.94 115.22 109.90 1pk9 n HIS 4 Ca 0.18 -0.15 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1pk9 n HIS 4 Cb 0.78 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.71 1pk9 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pk9 s ILE 5 N -0.49 0.16 -1.27 1.59 1.01 -1.08 -4.70 121.20 116.41 1pk9 s ILE 5 Ca 0.05 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1pk9 s ILE 5 Cb 0.03 -0.86 0.12 0.00 0.01 0.00 0.00 42.46 41.76 1pk9 s ILE 5 CO 0.04 -0.38 1.66 -3.20 0.00 0.00 0.00 174.94 173.06 1pk9 n ASN 6 N 5.18 4.99 -3.43 3.58 5.15 -1.26 -0.85 115.26 128.61 1pk9 n ASN 6 Ca -0.07 -2.96 -0.11 0.00 -0.60 0.00 0.00 54.58 50.84 1pk9 n ASN 6 Cb 0.47 -1.63 -0.02 0.00 -0.53 0.00 0.00 39.78 38.06 1pk9 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pk9 s ALA 7 N 2.54 -0.14 0.25 5.20 0.00 -1.26 -4.69 121.76 123.66 1pk9 s ALA 7 Ca 0.47 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.54 1pk9 s ALA 7 Cb 0.02 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 1pk9 s ALA 7 CO 0.02 -0.89 -0.18 -1.21 0.00 0.00 0.00 175.76 173.50 1pk9 s GLU 8 N -3.21 1.57 0.16 0.00 0.41 -1.26 -1.07 118.70 115.29 1pk9 s GLU 8 Ca 0.22 -1.71 -0.34 0.00 -0.41 0.00 0.00 54.97 52.73 1pk9 s GLU 8 Cb -0.02 -1.57 -0.15 0.00 -1.78 0.00 0.00 34.13 30.61 1pk9 s GLU 8 CO 0.13 0.29 1.34 -0.12 -0.49 0.00 0.00 175.26 176.41 1pk9 n MET 9 N -0.52 1.52 0.00 1.61 0.00 -1.26 -1.14 117.12 117.33 1pk9 n MET 9 Ca -0.06 0.54 0.00 0.00 -0.00 0.00 0.00 57.70 58.18 1pk9 n MET 9 Cb 0.60 -2.17 0.00 0.00 0.00 0.00 0.00 33.22 31.65 1pk9 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pk9 n GLY 10 N 2.46 2.97 0.18 -5.12 0.00 -1.26 -4.92 105.19 99.49 1pk9 n GLY 10 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1pk9 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pk9 h ASP 11 N 0.11 0.13 -3.05 1.61 3.32 -1.50 -3.44 116.42 113.61 1pk9 h ASP 11 Ca 0.00 -0.06 -0.64 0.00 0.02 0.00 0.00 57.03 56.35 1pk9 h ASP 11 Cb 0.00 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.43 1pk9 h ASP 11 CO 0.00 0.57 -0.56 -0.36 -1.72 0.00 0.00 179.24 177.18 1pk9 s PHE 12 N -4.02 3.33 0.98 4.55 0.40 -1.26 -4.77 117.98 117.18 1pk9 s PHE 12 Ca -0.03 0.19 -0.14 0.00 -0.60 0.00 0.00 56.93 56.35 1pk9 s PHE 12 Cb 0.13 -1.71 0.18 0.00 0.51 0.00 0.00 43.02 42.13 1pk9 s PHE 12 CO 0.76 0.56 1.16 0.00 0.70 0.00 0.00 175.22 178.40 1pk9 s ALA 13 N -1.33 1.57 -1.87 5.36 0.00 -1.26 -4.91 121.76 119.31 1pk9 s ALA 13 Ca 0.28 -0.69 0.32 0.00 0.00 0.00 0.00 51.96 51.87 1pk9 s ALA 13 Cb -0.12 -2.98 1.81 0.00 0.00 0.00 0.00 23.12 21.84 1pk9 s ALA 13 CO 0.20 -2.58 2.19 -0.40 0.00 0.00 0.00 175.76 175.17 1pk9 n ASP 14 N -3.97 0.01 -4.02 0.00 3.85 -1.26 -4.65 116.55 106.51 1pk9 n ASP 14 Ca 0.09 -0.80 -0.25 0.00 -0.71 0.00 0.00 54.79 53.11 1pk9 n ASP 14 Cb 0.59 -0.07 -0.17 0.00 -1.35 0.00 0.00 41.12 40.13 1pk9 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pk9 s VAL 15 N -2.13 1.20 -0.07 2.12 1.01 -1.26 -0.52 120.40 120.74 1pk9 s VAL 15 Ca 0.43 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1pk9 s VAL 15 Cb 0.22 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1pk9 s VAL 15 CO 0.39 0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 175.06 1pk9 s VAL 16 N 0.78 1.12 -0.05 2.92 1.01 -0.63 -2.43 120.40 123.12 1pk9 s VAL 16 Ca -0.12 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1pk9 s VAL 16 Cb -0.15 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1pk9 s VAL 16 CO 0.02 0.36 0.42 -0.76 0.00 0.00 0.00 175.10 175.14 1pk9 s LEU 17 N 0.79 4.39 -0.15 3.92 1.02 -0.38 -1.14 118.68 127.13 1pk9 s LEU 17 Ca -0.12 0.88 -0.02 0.00 0.02 0.00 0.00 54.13 54.89 1pk9 s LEU 17 Cb -0.15 -2.60 0.05 0.00 0.02 0.00 0.00 46.19 43.50 1pk9 s LEU 17 CO 0.02 0.20 0.01 -0.04 0.02 0.00 0.00 176.35 176.56 1pk9 s MET 18 N -0.39 0.81 0.45 1.70 -1.94 0.22 -2.23 119.30 117.92 1pk9 s MET 18 Ca 0.24 -0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 53.93 1pk9 s MET 18 Cb -0.16 -1.75 -0.01 0.00 2.01 0.00 0.00 34.83 34.92 1pk9 s MET 18 CO 0.11 -0.49 0.68 -1.25 -0.01 0.00 0.00 175.02 174.06 1pk9 s PRO 19 N 1.84 3.11 0.02 2.03 0.04 -1.25 -1.51 135.00 139.27 1pk9 s PRO 19 Ca 0.01 -0.41 -0.18 0.00 0.04 0.00 0.00 61.00 60.46 1pk9 s PRO 19 Cb -0.15 -2.54 -0.29 0.00 0.04 0.00 0.00 34.50 31.56 1pk9 s PRO 19 CO -0.07 -0.26 1.05 0.78 0.04 0.00 0.00 177.00 178.54 1pk9 h GLY 20 N 0.38 0.57 -6.13 0.56 0.00 -1.89 -1.46 103.07 95.10 1pk9 h GLY 20 Ca -0.46 -1.20 -0.57 0.00 0.00 0.00 0.00 47.33 45.10 1pk9 h GLY 20 CO 0.58 1.06 0.94 -0.35 0.00 0.00 0.00 176.54 178.77 1pk9 s ASP 21 N -7.18 6.69 0.48 0.19 -1.08 -1.26 -2.95 116.67 111.55 1pk9 s ASP 21 Ca -0.11 0.97 0.18 0.00 -0.52 0.00 0.00 52.55 53.07 1pk9 s ASP 21 Cb 0.04 -2.54 1.18 0.00 -1.46 0.00 0.00 42.92 40.14 1pk9 s ASP 21 CO 0.89 -1.11 2.02 1.55 0.52 0.00 0.00 175.17 179.04 1pk9 h PRO 22 N 9.15 0.21 0.00 4.34 0.13 -1.94 -0.87 132.00 143.01 1pk9 h PRO 22 Ca -0.24 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1pk9 h PRO 22 Cb 1.08 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1pk9 h PRO 22 CO 1.06 0.14 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.86 1pk9 h LEU 23 N 0.21 0.00 -1.03 1.56 4.07 -1.93 -2.03 115.31 116.17 1pk9 h LEU 23 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1pk9 h LEU 23 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1pk9 h LEU 23 CO -0.04 0.03 0.00 0.03 -1.08 0.00 0.00 178.44 177.39 1pk9 h ARG 24 N 0.00 0.00 -0.23 1.13 2.47 -1.56 -3.25 114.38 112.94 1pk9 h ARG 24 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1pk9 h ARG 24 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1pk9 h ARG 24 CO 0.00 0.00 0.08 0.00 0.56 0.00 0.00 179.97 180.61 1pk9 h ALA 25 N 2.04 0.30 -0.45 0.04 0.00 -1.50 -1.59 119.26 118.10 1pk9 h ALA 25 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1pk9 h ALA 25 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1pk9 h ALA 25 CO 0.00 -0.09 -0.13 -0.22 0.00 0.00 0.00 179.25 178.81 1pk9 h LYS 26 N 0.20 0.84 -0.25 0.00 3.64 -1.73 -2.21 116.57 117.05 1pk9 h LYS 26 Ca 0.07 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1pk9 h LYS 26 Cb 0.21 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1pk9 h LYS 26 CO -0.00 0.92 0.16 -0.92 -2.27 0.00 0.00 179.45 177.34 1pk9 h TYR 27 N 0.75 0.32 -0.79 1.91 5.03 -1.59 -1.60 116.97 121.00 1pk9 h TYR 27 Ca 0.12 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 1pk9 h TYR 27 Cb 0.64 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.77 1pk9 h TYR 27 CO 0.04 0.22 0.33 0.82 -1.32 0.00 0.00 178.16 178.25 1pk9 h ILE 28 N 0.33 1.26 -0.27 1.81 2.04 -1.16 -0.11 117.51 121.40 1pk9 h ILE 28 Ca 0.09 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1pk9 h ILE 28 Cb -0.02 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1pk9 h ILE 28 CO -0.02 0.33 0.07 0.00 0.00 0.00 0.00 178.15 178.53 1pk9 h ALA 29 N 1.17 0.36 -0.32 1.87 0.00 -1.21 -0.12 119.26 121.01 1pk9 h ALA 29 Ca 0.27 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1pk9 h ALA 29 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pk9 h ALA 29 CO -0.02 0.01 -0.47 0.93 0.00 0.00 0.00 179.25 179.69 1pk9 h GLU 30 N 0.27 0.89 0.18 0.00 5.08 -1.20 -2.45 114.58 117.35 1pk9 h GLU 30 Ca 0.09 -0.53 -0.31 0.00 -1.00 0.00 0.00 59.36 57.61 1pk9 h GLU 30 Cb 0.27 0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.60 1pk9 h GLU 30 CO -0.00 1.17 -1.35 1.15 -1.00 0.00 0.00 179.01 178.98 1pk9 h THR 31 N 0.68 1.33 0.00 1.13 2.02 -1.01 -3.42 112.91 113.65 1pk9 h THR 31 Ca 0.03 -2.69 -0.01 0.00 0.77 0.00 0.00 66.41 64.51 1pk9 h THR 31 Cb 1.08 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1pk9 h THR 31 CO 0.11 0.80 -1.33 0.49 0.37 0.00 0.00 175.52 175.97 1pk9 n PHE 32 N -3.71 0.00 -3.91 3.16 3.01 -0.06 -5.05 117.46 110.90 1pk9 n PHE 32 Ca -0.14 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.04 1pk9 n PHE 32 Cb 1.05 -0.17 -0.03 0.00 -0.01 0.00 0.00 39.48 40.31 1pk9 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pk9 s LEU 33 N -3.59 4.34 0.07 4.37 1.43 -0.92 -4.77 118.68 119.61 1pk9 s LEU 33 Ca -0.03 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1pk9 s LEU 33 Cb 0.04 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1pk9 s LEU 33 CO 0.28 0.08 0.12 -1.61 0.23 0.00 0.00 176.35 175.45 1pk9 s GLU 34 N -3.00 3.06 -1.71 1.70 0.41 -0.03 -4.60 118.70 114.54 1pk9 s GLU 34 Ca 0.35 -0.61 -0.17 0.00 -0.41 0.00 0.00 54.97 54.14 1pk9 s GLU 34 Cb -0.12 -2.83 0.15 0.00 -1.78 0.00 0.00 34.13 29.56 1pk9 s GLU 34 CO 0.28 0.58 0.64 -0.25 -0.49 0.00 0.00 175.26 176.02 1pk9 n ASP 35 N 0.42 -2.27 -4.77 -0.19 8.00 -1.26 -1.89 116.55 114.59 1pk9 n ASP 35 Ca -0.08 -1.09 -0.40 0.00 0.71 0.00 0.00 54.79 53.93 1pk9 n ASP 35 Cb 0.51 -2.40 -0.02 0.00 -0.02 0.00 0.00 41.12 39.20 1pk9 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pk9 s ALA 36 N -3.44 3.36 0.04 2.24 0.00 -1.26 -4.65 121.76 118.04 1pk9 s ALA 36 Ca 0.63 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.79 1pk9 s ALA 36 Cb -0.35 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1pk9 s ALA 36 CO 0.96 -0.61 -0.14 -0.98 0.00 0.00 0.00 175.76 174.99 1pk9 s ARG 37 N -1.97 0.91 0.09 0.00 1.70 -0.16 -4.94 118.95 114.58 1pk9 s ARG 37 Ca 0.52 -0.73 -0.30 0.00 -0.47 0.00 0.00 55.73 54.75 1pk9 s ARG 37 Cb -0.37 -0.90 -0.06 0.00 -0.57 0.00 0.00 34.95 33.05 1pk9 s ARG 37 CO 0.48 0.22 1.06 -2.00 -1.08 0.00 0.00 175.30 173.98 1pk9 s GLU 38 N -1.09 4.57 0.00 3.89 2.12 -1.26 -1.47 118.70 125.46 1pk9 s GLU 38 Ca 0.01 1.60 0.00 0.00 0.36 0.00 0.00 54.97 56.94 1pk9 s GLU 38 Cb -0.08 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1pk9 s GLU 38 CO 0.01 0.00 0.17 1.33 -0.54 0.00 0.00 175.26 176.24 1pk9 n VAL 39 N 3.18 0.00 -3.61 3.70 0.24 0.18 -4.95 118.33 117.07 1pk9 n VAL 39 Ca 0.05 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 1pk9 n VAL 39 Cb 0.48 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 1pk9 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pk9 s ASN 40 N -0.41 -0.56 0.00 -1.34 3.04 -1.20 -4.44 114.94 110.02 1pk9 s ASN 40 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 52.86 53.67 1pk9 s ASN 40 Cb 0.00 0.73 0.00 0.00 -1.54 0.00 0.00 41.25 40.44 1pk9 s ASN 40 CO 0.00 -0.45 0.00 -0.46 -3.04 0.00 0.00 177.10 173.15 1pk9 n ASN 41 N 1.58 0.00 -4.69 -4.21 0.23 -1.26 -1.91 115.26 105.01 1pk9 n ASN 41 Ca -0.18 -0.89 -0.44 0.00 -0.53 0.00 0.00 54.58 52.54 1pk9 n ASN 41 Cb 0.56 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.23 1pk9 n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1pk9 n VAL 42 N 0.00 0.58 -1.24 3.53 0.31 -1.26 -1.32 118.33 118.93 1pk9 n VAL 42 Ca 0.00 -0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.08 1pk9 n VAL 42 Cb 0.22 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 1pk9 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pk9 n ARG 43 N 2.64 -1.63 -0.84 5.55 1.74 -1.26 -1.40 116.66 121.46 1pk9 n ARG 43 Ca 0.13 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 1pk9 n ARG 43 Cb 0.32 -5.05 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 1pk9 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pk9 n GLY 44 N 0.13 0.72 3.49 -0.13 0.00 -0.43 -4.97 105.19 104.00 1pk9 n GLY 44 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1pk9 n GLY 44 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pk9 s MET 45 N -0.16 3.89 0.12 1.61 -1.94 -0.50 -4.96 119.30 117.36 1pk9 s MET 45 Ca 0.00 -2.09 -0.31 0.00 -1.71 0.00 0.00 55.69 51.57 1pk9 s MET 45 Cb 0.00 -5.16 -0.09 0.00 2.01 0.00 0.00 34.83 31.60 1pk9 s MET 45 CO 0.00 -1.92 1.56 -0.51 -0.01 0.00 0.00 175.02 174.14 1pk9 s LEU 46 N 2.77 4.37 0.04 -0.03 1.02 -1.26 -4.05 118.68 121.54 1pk9 s LEU 46 Ca 0.43 2.50 0.09 0.00 0.02 0.00 0.00 54.13 57.17 1pk9 s LEU 46 Cb -0.02 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 1pk9 s LEU 46 CO -0.02 -0.81 -0.26 -0.83 0.02 0.00 0.00 176.35 174.45 1pk9 s GLY 47 N 1.58 1.37 0.05 -3.19 0.00 -0.80 -3.98 107.32 102.35 1pk9 s GLY 47 Ca 0.70 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1pk9 s GLY 47 CO 0.31 -1.13 -0.08 -1.36 0.00 0.00 0.00 173.10 170.85 1pk9 s PHE 48 N -0.79 0.68 -0.04 1.90 0.08 0.41 -0.64 117.98 119.57 1pk9 s PHE 48 Ca 0.11 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1pk9 s PHE 48 Cb -0.10 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.96 1pk9 s PHE 48 CO 0.02 -0.10 -0.06 0.99 -0.10 0.00 0.00 175.22 175.97 1pk9 s THR 49 N -1.59 0.63 0.00 0.64 2.01 -0.54 -0.53 115.64 116.25 1pk9 s THR 49 Ca -0.08 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1pk9 s THR 49 Cb -0.09 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1pk9 s THR 49 CO -0.00 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1pk9 n GLY 50 N 3.84 3.56 3.11 4.40 0.00 0.24 -0.99 105.19 119.35 1pk9 n GLY 50 Ca -0.24 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 1pk9 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk9 s THR 51 N -1.38 0.77 -0.21 2.61 -4.23 -0.79 -0.44 115.64 111.97 1pk9 s THR 51 Ca 0.00 -1.26 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1pk9 s THR 51 Cb 0.00 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 73.00 1pk9 s THR 51 CO 0.00 -0.38 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.18 1pk9 s TYR 52 N -1.60 2.00 -1.48 3.99 6.14 0.77 -0.85 117.35 126.32 1pk9 s TYR 52 Ca -0.05 -1.42 -0.09 0.00 0.64 0.00 0.00 57.07 56.16 1pk9 s TYR 52 Cb -0.08 -1.43 0.06 0.00 0.42 0.00 0.00 41.96 40.93 1pk9 s TYR 52 CO 0.01 -0.70 0.78 1.63 0.64 0.00 0.00 175.55 177.90 1pk9 n LYS 53 N 4.79 -4.60 0.00 4.97 5.02 -1.26 -0.96 118.16 126.12 1pk9 n LYS 53 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1pk9 n LYS 53 Cb 0.46 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 1pk9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pk9 n GLY 54 N -1.67 2.76 3.70 0.72 0.00 -1.26 -5.01 105.19 104.43 1pk9 n GLY 54 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1pk9 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pk9 s ARG 55 N -0.27 4.43 0.04 1.61 3.00 -0.14 -4.99 118.95 122.64 1pk9 s ARG 55 Ca 0.00 1.01 -0.30 0.00 -1.00 0.00 0.00 55.73 55.44 1pk9 s ARG 55 Cb 0.00 -3.48 -0.07 0.00 0.00 0.00 0.00 34.95 31.41 1pk9 s ARG 55 CO 0.00 -0.05 1.44 0.21 0.00 0.00 0.00 175.30 176.91 1pk9 s LYS 56 N 1.14 4.28 0.03 5.12 2.20 -1.26 -0.16 119.74 131.08 1pk9 s LYS 56 Ca 0.40 2.05 0.01 0.00 -0.36 0.00 0.00 55.97 58.08 1pk9 s LYS 56 Cb -0.18 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 1pk9 s LYS 56 CO 0.19 -0.57 -0.05 0.42 -0.36 0.00 0.00 175.35 174.98 1pk9 s ILE 57 N 2.16 0.29 0.17 5.43 -1.09 0.42 -4.69 121.20 123.88 1pk9 s ILE 57 Ca 0.66 -0.86 0.09 0.00 -2.23 0.00 0.00 60.65 58.31 1pk9 s ILE 57 Cb -0.34 -0.38 -0.04 0.00 -1.58 0.00 0.00 42.46 40.11 1pk9 s ILE 57 CO 0.28 -0.38 -0.19 -0.44 -1.23 0.00 0.00 174.94 172.99 1pk9 s SER 58 N -1.31 2.80 -0.07 3.58 0.01 -1.02 -0.60 113.70 117.10 1pk9 s SER 58 Ca -0.11 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.24 1pk9 s SER 58 Cb -0.09 -0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.00 1pk9 s SER 58 CO -0.00 -0.01 0.16 0.54 0.41 0.00 0.00 173.24 174.33 1pk9 s VAL 59 N -2.01 -0.03 -0.25 3.43 0.11 0.31 -1.25 120.40 120.71 1pk9 s VAL 59 Ca 0.17 0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 59.06 1pk9 s VAL 59 Cb -0.06 -0.24 0.07 0.00 -1.53 0.00 0.00 36.38 34.62 1pk9 s VAL 59 CO 0.07 0.04 0.75 -0.32 -3.33 0.00 0.00 175.10 172.31 1pk9 s MET 60 N 0.72 0.83 0.81 1.54 0.00 -0.95 -0.44 119.30 121.81 1pk9 s MET 60 Ca -0.05 0.90 -0.11 0.00 0.00 0.00 0.00 55.69 56.43 1pk9 s MET 60 Cb -0.07 0.40 0.08 0.00 0.00 0.00 0.00 34.83 35.24 1pk9 s MET 60 CO -0.04 -0.12 1.09 0.20 0.00 0.00 0.00 175.02 176.16 1pk9 s GLY 61 N 0.22 1.66 -0.00 2.11 0.00 -1.26 -3.92 107.32 106.13 1pk9 s GLY 61 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.91 1pk9 s GLY 61 CO 0.01 0.57 0.04 -2.39 0.00 0.00 0.00 173.10 171.34 1pk9 n HIS 62 N -3.64 0.00 0.00 1.90 1.44 -0.55 -4.90 115.22 109.47 1pk9 n HIS 62 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 1pk9 n HIS 62 Cb 0.54 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1pk9 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pk9 n GLY 63 N 1.19 -1.80 3.76 -1.39 0.00 -1.15 -3.07 105.19 102.72 1pk9 n GLY 63 Ca 0.00 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1pk9 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pk9 s MET 64 N -2.75 4.63 0.00 1.61 1.00 -1.26 -4.49 119.30 118.04 1pk9 s MET 64 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 55.69 56.94 1pk9 s MET 64 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 34.83 31.53 1pk9 s MET 64 CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 175.02 175.90 1pk9 n GLY 65 N 1.79 1.61 0.27 -0.03 0.00 -1.25 -4.50 105.19 103.09 1pk9 n GLY 65 Ca -0.03 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 1pk9 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pk9 h ILE 66 N 0.00 1.07 -0.78 -0.61 2.04 -1.80 -2.46 117.51 114.97 1pk9 h ILE 66 Ca 0.00 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1pk9 h ILE 66 Cb 0.00 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 1pk9 h ILE 66 CO 0.00 0.15 0.51 -0.65 0.00 0.00 0.00 178.15 178.16 1pk9 h PRO 67 N 0.83 0.98 0.24 2.37 0.11 -1.91 -0.81 132.00 133.82 1pk9 h PRO 67 Ca 0.29 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1pk9 h PRO 67 Cb 0.05 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1pk9 h PRO 67 CO -0.12 0.65 -0.12 1.03 -0.21 0.00 0.00 178.00 179.23 1pk9 h SER 68 N 1.01 -0.28 0.31 -2.05 0.87 -1.73 -3.03 113.55 108.64 1pk9 h SER 68 Ca 0.30 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1pk9 h SER 68 Cb -0.04 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1pk9 h SER 68 CO -0.09 0.05 -0.15 0.00 -0.53 0.00 0.00 176.83 176.11 1pk9 h SER 70 N 0.00 0.63 0.43 0.00 0.02 -1.09 -1.35 113.55 112.19 1pk9 h SER 70 Ca -0.00 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1pk9 h SER 70 Cb 0.34 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1pk9 h SER 70 CO 0.02 0.77 -0.21 0.40 -1.14 0.00 0.00 176.83 176.67 1pk9 h ILE 71 N 0.59 0.50 -0.12 3.27 2.04 -1.32 -2.63 117.51 119.85 1pk9 h ILE 71 Ca 0.11 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1pk9 h ILE 71 Cb 0.53 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1pk9 h ILE 71 CO 0.03 0.07 0.08 1.88 0.00 0.00 0.00 178.15 180.21 1pk9 h TYR 72 N -0.86 0.16 -0.86 1.37 0.05 -1.48 -2.25 116.97 113.09 1pk9 h TYR 72 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1pk9 h TYR 72 Cb 0.56 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 1pk9 h TYR 72 CO 0.01 0.12 0.48 1.79 -1.05 0.00 0.00 178.16 179.51 1pk9 h THR 73 N 0.15 1.25 0.05 -2.88 1.35 -1.35 -1.72 112.91 109.75 1pk9 h THR 73 Ca 0.04 -0.60 -0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1pk9 h THR 73 Cb 0.00 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 1pk9 h THR 73 CO -0.01 0.27 -0.02 0.50 -0.25 0.00 0.00 175.52 176.01 1pk9 h LYS 74 N 1.20 -0.06 -0.88 4.72 3.11 -1.29 -2.14 116.57 121.24 1pk9 h LYS 74 Ca 0.31 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.14 1pk9 h LYS 74 Cb 0.01 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.21 1pk9 h LYS 74 CO -0.05 0.10 0.52 0.93 -2.81 0.00 0.00 179.45 178.15 1pk9 h GLU 75 N -0.21 1.20 -0.45 1.90 5.08 -1.25 -0.86 114.58 119.99 1pk9 h GLU 75 Ca -0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1pk9 h GLU 75 Cb 0.19 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1pk9 h GLU 75 CO 0.01 0.85 0.30 -0.07 -1.00 0.00 0.00 179.01 179.09 1pk9 h LEU 76 N 1.21 0.52 -0.02 1.33 3.38 -1.24 -0.18 115.31 120.33 1pk9 h LEU 76 Ca 0.31 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1pk9 h LEU 76 Cb -0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1pk9 h LEU 76 CO -0.06 0.38 -0.01 0.40 0.09 0.00 0.00 178.44 179.25 1pk9 h ILE 77 N 0.61 1.35 0.00 1.22 2.04 -1.01 -1.83 117.51 119.89 1pk9 h ILE 77 Ca 0.16 -1.04 -0.13 0.00 1.00 0.00 0.00 64.86 64.85 1pk9 h ILE 77 Cb -0.06 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1pk9 h ILE 77 CO -0.03 0.27 -0.68 0.71 0.00 0.00 0.00 178.15 178.42 1pk9 h THR 78 N -0.39 0.93 0.00 -0.27 1.35 -1.18 -3.31 112.91 110.03 1pk9 h THR 78 Ca 0.00 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 1pk9 h THR 78 Cb 0.45 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1pk9 h THR 78 CO 0.00 0.53 -0.95 0.47 -0.25 0.00 0.00 175.52 175.33 1pk9 n ASP 79 N -3.20 2.13 -0.06 5.36 9.92 -0.08 -4.71 116.55 125.92 1pk9 n ASP 79 Ca 0.00 -0.26 0.05 0.00 -0.53 0.00 0.00 54.79 54.05 1pk9 n ASP 79 Cb 0.78 1.21 0.07 0.00 -0.64 0.00 0.00 41.12 42.53 1pk9 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pk9 n PHE 80 N -1.53 0.00 -1.77 1.24 3.01 -0.72 -4.51 117.46 113.18 1pk9 n PHE 80 Ca -0.00 -0.69 -0.20 0.00 1.01 0.00 0.00 57.45 57.57 1pk9 n PHE 80 Cb 0.16 -0.10 -0.07 0.00 -0.01 0.00 0.00 39.48 39.47 1pk9 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk9 n GLY 81 N -0.90 1.41 3.73 1.37 0.00 -1.13 -4.63 105.19 105.04 1pk9 n GLY 81 Ca 0.08 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1pk9 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk9 s VAL 82 N -2.81 3.17 -0.10 1.61 1.01 -0.98 -4.74 120.40 117.57 1pk9 s VAL 82 Ca 0.00 0.92 0.13 0.00 0.00 0.00 0.00 61.98 63.03 1pk9 s VAL 82 Cb 0.00 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.60 1pk9 s VAL 82 CO 0.00 0.12 0.13 0.29 0.00 0.00 0.00 175.10 175.64 1pk9 n LYS 83 N 3.03 1.36 -4.28 2.72 5.02 0.32 -4.50 118.16 121.82 1pk9 n LYS 83 Ca 0.08 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 1pk9 n LYS 83 Cb 0.42 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 33.93 1pk9 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pk9 s LYS 84 N -2.55 0.77 -0.11 1.97 1.02 -0.77 -1.37 119.74 118.70 1pk9 s LYS 84 Ca -0.06 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.73 1pk9 s LYS 84 Cb 0.06 -0.74 0.01 0.00 -0.52 0.00 0.00 37.83 36.64 1pk9 s LYS 84 CO 0.57 0.08 -0.19 0.42 -0.92 0.00 0.00 175.35 175.30 1pk9 s ILE 85 N 0.24 1.78 -0.28 2.17 -1.09 -0.36 -1.61 121.20 122.05 1pk9 s ILE 85 Ca -0.03 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 1pk9 s ILE 85 Cb -0.08 -1.58 0.07 0.00 -1.58 0.00 0.00 42.46 39.29 1pk9 s ILE 85 CO 0.00 0.50 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.51 1pk9 s ILE 86 N 0.72 2.16 -0.02 2.92 1.01 -0.29 -1.21 121.20 126.49 1pk9 s ILE 86 Ca -0.11 -1.79 -0.30 0.00 0.00 0.00 0.00 60.65 58.45 1pk9 s ILE 86 Cb -0.16 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1pk9 s ILE 86 CO 0.02 -0.18 0.99 -0.60 0.00 0.00 0.00 174.94 175.17 1pk9 s ARG 87 N 1.07 4.53 -0.33 2.79 3.52 0.33 -0.61 118.95 130.25 1pk9 s ARG 87 Ca -0.04 1.42 0.04 0.00 -0.13 0.00 0.00 55.73 57.02 1pk9 s ARG 87 Cb -0.20 -3.48 0.09 0.00 -1.56 0.00 0.00 34.95 29.81 1pk9 s ARG 87 CO -0.06 -0.11 0.03 0.14 -0.81 0.00 0.00 175.30 174.49 1pk9 s VAL 88 N 1.22 2.27 0.00 7.11 -7.23 -0.57 -0.98 120.40 122.21 1pk9 s VAL 88 Ca 0.51 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1pk9 s VAL 88 Cb -0.21 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1pk9 s VAL 88 CO 0.26 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1pk9 n GLY 89 N 4.28 5.56 3.35 2.32 0.00 -0.65 -4.17 105.19 115.88 1pk9 n GLY 89 Ca 0.01 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 1pk9 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pk9 s SER 90 N 1.00 2.25 0.21 1.61 1.04 -1.26 -1.91 113.70 116.63 1pk9 s SER 90 Ca 0.00 -1.15 -0.18 0.00 0.48 0.00 0.00 55.95 55.10 1pk9 s SER 90 Cb 0.00 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1pk9 s SER 90 CO 0.00 -0.38 0.56 0.00 0.98 0.00 0.00 173.24 174.41 1pk9 s GLY 92 N -2.88 1.91 0.11 0.00 0.00 -0.63 -1.01 107.32 104.82 1pk9 s GLY 92 Ca 0.09 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1pk9 s GLY 92 CO -0.02 -0.64 0.18 0.00 0.00 0.00 0.00 173.10 172.62 1pk9 s ALA 93 N -1.00 3.80 -0.01 3.20 0.00 0.14 0.36 121.76 128.25 1pk9 s ALA 93 Ca 0.17 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1pk9 s ALA 93 Cb -0.12 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1pk9 s ALA 93 CO 0.06 0.67 0.02 1.33 0.00 0.00 0.00 175.76 177.85 1pk9 n VAL 94 N 0.00 0.00 -3.00 0.00 0.24 -1.26 -2.20 118.33 112.11 1pk9 n VAL 94 Ca -0.07 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.34 61.77 1pk9 n VAL 94 Cb 0.53 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 1pk9 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1pk9 s LEU 95 N -2.94 4.55 0.15 1.34 1.43 -1.26 -4.88 118.68 117.06 1pk9 s LEU 95 Ca -0.00 1.61 -0.17 0.00 -1.03 0.00 0.00 54.13 54.54 1pk9 s LEU 95 Cb 0.01 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 42.90 1pk9 s LEU 95 CO 0.04 0.18 1.79 -0.65 0.23 0.00 0.00 176.35 177.94 1pk9 h PRO 96 N 4.18 0.41 0.00 1.29 0.11 -1.99 -2.81 132.00 133.19 1pk9 h PRO 96 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pk9 h PRO 96 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pk9 h PRO 96 CO 0.66 0.27 0.00 -2.39 -0.21 0.00 0.00 178.00 176.33 1pk9 n HIS 97 N -4.89 0.00 -3.17 0.65 1.44 -1.26 -4.59 115.22 103.40 1pk9 n HIS 97 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1pk9 n HIS 97 Cb 0.05 -0.44 -0.07 0.00 0.12 0.00 0.00 29.99 29.65 1pk9 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pk9 s VAL 98 N -2.87 4.94 0.26 0.61 1.01 -1.06 -5.05 120.40 118.23 1pk9 s VAL 98 Ca 0.11 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1pk9 s VAL 98 Cb 0.12 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1pk9 s VAL 98 CO 0.31 -0.30 0.35 -0.54 0.00 0.00 0.00 175.10 174.92 1pk9 s LYS 99 N 2.57 3.32 0.34 2.72 -0.14 -1.26 -4.82 119.74 122.47 1pk9 s LYS 99 Ca 0.21 -0.84 -0.28 0.00 -1.36 0.00 0.00 55.97 53.71 1pk9 s LYS 99 Cb -0.15 -2.83 -0.12 0.00 -1.68 0.00 0.00 37.83 33.05 1pk9 s LYS 99 CO 0.14 0.37 1.21 -0.11 -0.76 0.00 0.00 175.35 176.21 1pk9 n LEU 100 N -1.41 3.17 0.00 3.17 7.94 -1.26 -1.44 117.00 127.16 1pk9 n LEU 100 Ca -0.08 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 1pk9 n LEU 100 Cb 0.57 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1pk9 n LEU 100 CO 0.44 -0.76 0.00 0.54 -1.11 0.00 0.00 177.39 176.51 1pk9 n ARG 101 N 0.51 0.00 -1.80 1.96 1.74 0.94 -4.95 116.66 115.05 1pk9 n ARG 101 Ca 0.06 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 1pk9 n ARG 101 Cb 0.36 -2.77 0.05 0.00 -1.02 0.00 0.00 32.46 29.08 1pk9 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pk9 s ASP 102 N -2.89 4.89 -0.23 0.55 -0.00 -0.52 -4.60 116.67 113.87 1pk9 s ASP 102 Ca 0.00 2.31 -0.08 0.00 -0.00 0.00 0.00 52.55 54.78 1pk9 s ASP 102 Cb 0.00 -2.59 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 1pk9 s ASP 102 CO 0.00 -1.79 0.08 -0.69 -0.00 0.00 0.00 175.17 172.77 1pk9 s VAL 103 N -1.84 4.56 0.05 -1.27 1.01 -1.26 -0.63 120.40 121.02 1pk9 s VAL 103 Ca 0.75 -0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.72 1pk9 s VAL 103 Cb -0.28 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1pk9 s VAL 103 CO 0.38 0.36 -0.24 0.68 0.00 0.00 0.00 175.10 176.28 1pk9 s VAL 104 N 1.30 2.35 -0.16 2.92 -7.23 0.12 -2.25 120.40 117.44 1pk9 s VAL 104 Ca 0.05 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1pk9 s VAL 104 Cb -0.15 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.85 1pk9 s VAL 104 CO 0.04 0.33 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.34 1pk9 s ILE 105 N -0.87 2.22 -0.83 -0.62 1.01 0.23 -0.50 121.20 121.85 1pk9 s ILE 105 Ca 0.13 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 1pk9 s ILE 105 Cb -0.10 -1.92 0.09 0.00 0.01 0.00 0.00 42.46 40.54 1pk9 s ILE 105 CO 0.03 0.53 1.11 -0.83 0.00 0.00 0.00 174.94 175.79 1pk9 s GLY 106 N 1.03 1.57 0.41 6.18 0.00 -0.69 -1.87 107.32 113.96 1pk9 s GLY 106 Ca -0.01 -2.27 0.16 0.00 0.00 0.00 0.00 44.72 42.60 1pk9 s GLY 106 CO -0.06 2.15 1.88 1.98 0.00 0.00 0.00 173.10 179.04 1pk9 h MET 107 N 9.30 0.00 -4.19 2.90 4.05 -1.59 -3.40 114.93 122.01 1pk9 h MET 107 Ca -0.03 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.24 1pk9 h MET 107 Cb 1.04 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.70 1pk9 h MET 107 CO 1.19 0.31 -0.53 0.20 0.23 0.00 0.00 176.91 178.31 1pk9 s GLY 108 N -4.28 0.71 -0.11 1.39 0.00 -1.19 -0.93 107.32 102.91 1pk9 s GLY 108 Ca -0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.46 1pk9 s GLY 108 CO 0.69 -1.15 0.17 0.00 0.00 0.00 0.00 173.10 172.81 1pk9 s ALA 109 N -4.00 -0.15 0.83 3.20 0.00 -0.39 -1.46 121.76 119.79 1pk9 s ALA 109 Ca 0.19 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1pk9 s ALA 109 Cb 0.06 -0.93 0.09 0.00 0.00 0.00 0.00 23.12 22.34 1pk9 s ALA 109 CO -0.01 -0.73 1.19 0.00 0.00 0.00 0.00 175.76 176.21 1pk9 s THR 111 N -3.59 0.00 -0.70 0.00 -1.32 -1.26 -0.59 115.64 108.18 1pk9 s THR 111 Ca 0.63 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.20 1pk9 s THR 111 Cb -0.11 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.14 1pk9 s THR 111 CO 0.49 0.00 1.21 -0.90 -2.21 0.00 0.00 174.62 173.21 1pk9 n ASP 112 N -0.21 2.77 -4.89 8.08 3.85 -1.22 -4.99 116.55 119.95 1pk9 n ASP 112 Ca -0.07 -2.05 -0.29 0.00 -0.71 0.00 0.00 54.79 51.66 1pk9 n ASP 112 Cb 0.61 -0.20 0.03 0.00 -1.35 0.00 0.00 41.12 40.21 1pk9 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pk9 s SER 113 N -1.06 5.71 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.23 1pk9 s SER 113 Ca 0.19 1.08 0.17 0.00 0.70 0.00 0.00 55.95 58.09 1pk9 s SER 113 Cb 0.11 -2.02 0.19 0.00 -1.71 0.00 0.00 66.02 62.59 1pk9 s SER 113 CO 0.12 -1.12 1.10 1.17 1.20 0.00 0.00 173.24 175.71 1pk9 n LYS 114 N -2.80 1.61 -0.28 5.44 4.81 -1.26 -4.68 118.16 121.00 1pk9 n LYS 114 Ca 0.06 -1.66 0.01 0.00 -0.87 0.00 0.00 58.31 55.84 1pk9 n LYS 114 Cb 0.56 -1.34 0.13 0.00 0.02 0.00 0.00 35.03 34.41 1pk9 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1pk9 h VAL 115 N 3.29 1.00 -0.02 3.15 -1.51 -1.99 -1.56 116.25 118.61 1pk9 h VAL 115 Ca 0.00 -0.29 -0.17 0.00 -1.23 0.00 0.00 66.70 65.01 1pk9 h VAL 115 Cb 0.73 0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 29.94 1pk9 h VAL 115 CO 0.00 0.16 -0.75 0.78 -1.23 0.00 0.00 177.57 176.52 1pk9 h ASN 116 N 0.86 0.16 0.02 4.19 -0.26 -1.94 -2.50 115.58 116.11 1pk9 h ASN 116 Ca 0.36 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.88 1pk9 h ASN 116 Cb 0.21 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.41 1pk9 h ASN 116 CO -0.19 0.85 -0.30 0.03 -1.06 0.00 0.00 177.43 176.76 1pk9 h ARG 117 N 0.08 0.42 -0.31 0.81 3.08 -1.71 0.64 114.38 117.40 1pk9 h ARG 117 Ca -0.02 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 1pk9 h ARG 117 Cb 1.32 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 1pk9 h ARG 117 CO 0.11 0.69 -0.14 0.82 -1.07 0.00 0.00 179.97 180.37 1pk9 h ILE 118 N 0.37 1.24 0.18 2.04 2.04 -1.15 0.24 117.51 122.47 1pk9 h ILE 118 Ca 0.05 -1.09 -0.31 0.00 1.00 0.00 0.00 64.86 64.51 1pk9 h ILE 118 Cb 0.72 1.16 0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1pk9 h ILE 118 CO 0.05 0.36 -1.34 0.03 0.00 0.00 0.00 178.15 177.25 1pk9 h ARG 119 N 0.50 0.50 -0.98 2.37 3.08 -0.91 -3.37 114.38 115.57 1pk9 h ARG 119 Ca 0.09 -0.78 -0.64 0.00 0.07 0.00 0.00 59.98 58.71 1pk9 h ARG 119 Cb 0.54 0.28 -0.30 0.00 0.08 0.00 0.00 29.97 30.58 1pk9 h ARG 119 CO 0.03 1.36 0.77 0.34 -1.07 0.00 0.00 179.97 181.41 1pk9 n PHE 120 N -3.70 3.17 -4.18 3.04 7.35 0.22 -4.92 117.46 118.43 1pk9 n PHE 120 Ca -0.14 -2.79 -0.33 0.00 -0.76 0.00 0.00 57.45 53.44 1pk9 n PHE 120 Cb 1.04 -1.32 -0.04 0.00 0.35 0.00 0.00 39.48 39.51 1pk9 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pk9 n LYS 121 N -0.95 -2.69 -1.60 -4.13 5.02 -1.08 -1.25 118.16 111.47 1pk9 n LYS 121 Ca 0.61 0.32 -0.17 0.00 -2.02 0.00 0.00 58.31 57.06 1pk9 n LYS 121 Cb 0.85 -4.69 -0.06 0.00 -0.02 0.00 0.00 35.03 31.11 1pk9 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pk9 n ASP 122 N -2.77 -5.01 -4.34 4.39 2.03 0.82 -5.01 116.55 106.67 1pk9 n ASP 122 Ca -0.09 0.36 -0.18 0.00 0.52 0.00 0.00 54.79 55.39 1pk9 n ASP 122 Cb 0.58 -4.00 0.03 0.00 -0.72 0.00 0.00 41.12 37.00 1pk9 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pk9 n HIS 123 N -2.72 -1.57 -3.03 -0.67 8.25 -0.38 -5.02 115.22 110.09 1pk9 n HIS 123 Ca -0.17 -1.80 -0.42 0.00 -0.26 0.00 0.00 57.72 55.06 1pk9 n HIS 123 Cb 0.56 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1pk9 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pk9 s ASP 124 N -3.76 6.43 -0.25 0.41 1.11 -1.26 -4.56 116.67 114.78 1pk9 s ASP 124 Ca 0.37 0.01 -0.10 0.00 0.18 0.00 0.00 52.55 53.00 1pk9 s ASP 124 Cb -0.03 -2.36 -0.05 0.00 1.07 0.00 0.00 42.92 41.56 1pk9 s ASP 124 CO 0.23 -0.77 0.15 0.12 1.18 0.00 0.00 175.17 176.09 1pk9 s PHE 125 N 3.00 3.24 -0.68 4.23 5.36 -1.26 -5.04 117.98 126.84 1pk9 s PHE 125 Ca 0.27 0.09 -0.27 0.00 -0.96 0.00 0.00 56.93 56.06 1pk9 s PHE 125 Cb -0.13 -2.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1pk9 s PHE 125 CO 0.19 -0.07 1.23 0.00 -1.46 0.00 0.00 175.22 175.10 1pk9 s ALA 126 N 1.34 2.86 -0.52 11.12 0.00 -1.26 -4.96 121.76 130.35 1pk9 s ALA 126 Ca 0.07 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.55 1pk9 s ALA 126 Cb -0.15 -4.15 0.01 0.00 0.00 0.00 0.00 23.12 18.83 1pk9 s ALA 126 CO 0.07 -3.02 1.51 0.00 0.00 0.00 0.00 175.76 174.31 1pk9 s ALA 127 N 5.34 2.77 0.27 0.00 0.00 -1.26 -4.98 121.76 123.91 1pk9 s ALA 127 Ca 0.37 -0.49 0.11 0.00 0.00 0.00 0.00 51.96 51.95 1pk9 s ALA 127 Cb -0.08 -4.09 -0.05 0.00 0.00 0.00 0.00 23.12 18.89 1pk9 s ALA 127 CO 0.19 -2.94 -0.19 0.96 0.00 0.00 0.00 175.76 173.78 1pk9 s ILE 128 N 6.41 2.37 0.77 0.00 -4.36 -1.26 -1.26 121.20 123.87 1pk9 s ILE 128 Ca 0.58 -2.38 -0.07 0.00 -0.26 0.00 0.00 60.65 58.53 1pk9 s ILE 128 Cb -0.13 -2.28 0.12 0.00 1.25 0.00 0.00 42.46 41.42 1pk9 s ILE 128 CO 0.27 -0.42 1.08 0.00 0.24 0.00 0.00 174.94 176.10 1pk9 s ALA 129 N -2.58 3.14 -0.09 2.27 0.00 -0.10 -4.84 121.76 119.55 1pk9 s ALA 129 Ca 0.29 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1pk9 s ALA 129 Cb -0.04 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 1pk9 s ALA 129 CO 0.14 -1.62 0.95 0.34 0.00 0.00 0.00 175.76 175.57 1pk9 s ASP 130 N -4.68 7.21 0.19 0.00 -1.08 -0.77 -4.96 116.67 112.57 1pk9 s ASP 130 Ca 0.66 1.48 -0.12 0.00 -0.52 0.00 0.00 52.55 54.04 1pk9 s ASP 130 Cb -0.07 -2.53 0.21 0.00 -1.46 0.00 0.00 42.92 39.07 1pk9 s ASP 130 CO 0.46 -0.38 1.74 0.15 0.52 0.00 0.00 175.17 177.66 1pk9 h PHE 131 N 7.05 0.29 -0.97 -5.34 3.57 -1.96 -1.84 116.94 117.75 1pk9 h PHE 131 Ca -0.33 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.20 1pk9 h PHE 131 Cb 1.16 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 1pk9 h PHE 131 CO 0.70 0.06 0.63 -0.44 -2.23 0.00 0.00 178.31 177.04 1pk9 h ASP 132 N 0.33 1.11 -0.51 0.41 3.32 -1.99 -0.48 116.42 118.62 1pk9 h ASP 132 Ca 0.26 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1pk9 h ASP 132 Cb 0.32 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1pk9 h ASP 132 CO -0.29 0.81 0.17 0.24 -1.72 0.00 0.00 179.24 178.45 1pk9 h MET 133 N 1.31 0.85 -0.12 3.56 2.86 -1.80 0.10 114.93 121.70 1pk9 h MET 133 Ca 0.35 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1pk9 h MET 133 Cb -0.14 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 1pk9 h MET 133 CO -0.08 0.74 0.03 0.28 1.06 0.00 0.00 176.91 178.94 1pk9 h VAL 134 N 0.82 1.19 -0.40 -2.22 2.07 -0.53 -1.85 116.25 115.34 1pk9 h VAL 134 Ca 0.19 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1pk9 h VAL 134 Cb 0.25 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1pk9 h VAL 134 CO -0.01 0.18 0.09 -0.09 0.02 0.00 0.00 177.57 177.76 1pk9 h ARG 135 N -0.01 0.60 -0.46 1.57 2.43 -0.75 -1.64 114.38 116.12 1pk9 h ARG 135 Ca 0.04 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1pk9 h ARG 135 Cb 0.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1pk9 h ARG 135 CO 0.00 0.55 0.07 -0.91 -1.51 0.00 0.00 179.97 178.17 1pk9 h ASN 136 N 0.58 0.74 -0.71 -3.80 2.35 -0.61 -1.59 115.58 112.54 1pk9 h ASN 136 Ca 0.13 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1pk9 h ASN 136 Cb 0.23 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1pk9 h ASN 136 CO -0.00 0.81 0.18 0.00 -1.65 0.00 0.00 177.43 176.77 1pk9 h ALA 137 N 0.95 0.97 -0.40 -0.83 0.00 -0.93 -0.47 119.26 118.56 1pk9 h ALA 137 Ca 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1pk9 h ALA 137 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pk9 h ALA 137 CO 0.01 0.67 0.10 0.28 0.00 0.00 0.00 179.25 180.31 1pk9 h VAL 138 N 1.08 1.23 -0.39 0.00 2.07 -1.15 -1.38 116.25 117.71 1pk9 h VAL 138 Ca 0.23 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 1pk9 h VAL 138 Cb 0.36 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1pk9 h VAL 138 CO 0.00 0.27 -0.27 0.44 0.02 0.00 0.00 177.57 178.02 1pk9 h ASP 139 N 0.50 0.84 -0.50 0.57 3.32 -1.11 -2.01 116.42 118.03 1pk9 h ASP 139 Ca 0.13 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 1pk9 h ASP 139 Cb 0.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1pk9 h ASP 139 CO 0.00 1.06 0.05 0.00 -1.72 0.00 0.00 179.24 178.64 1pk9 h ALA 140 N 0.99 0.67 -0.41 3.45 0.00 -1.00 -1.34 119.26 121.62 1pk9 h ALA 140 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1pk9 h ALA 140 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1pk9 h ALA 140 CO 0.07 0.43 0.21 0.00 0.00 0.00 0.00 179.25 179.96 1pk9 h ALA 141 N 0.96 0.53 -0.49 0.00 0.00 -1.13 -2.25 119.26 116.87 1pk9 h ALA 141 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1pk9 h ALA 141 Cb 0.44 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1pk9 h ALA 141 CO 0.02 0.07 0.25 -0.22 0.00 0.00 0.00 179.25 179.37 1pk9 h LYS 142 N 0.52 0.49 0.00 0.00 3.64 -1.16 0.16 116.57 120.22 1pk9 h LYS 142 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1pk9 h LYS 142 Cb 0.09 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1pk9 h LYS 142 CO -0.02 0.32 -0.05 0.00 -2.27 0.00 0.00 179.45 177.43 1pk9 h ALA 143 N 1.26 1.67 -0.41 5.00 0.00 -0.98 0.57 119.26 126.38 1pk9 h ALA 143 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pk9 h ALA 143 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pk9 h ALA 143 CO -0.14 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1pk9 n LEU 144 N -4.13 2.44 -1.51 0.00 4.77 -0.35 -4.91 117.00 113.32 1pk9 n LEU 144 Ca -0.03 -1.18 -0.14 0.00 -0.03 0.00 0.00 56.01 54.64 1pk9 n LEU 144 Cb 0.14 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1pk9 n LEU 144 CO 0.31 0.59 -0.17 0.61 -1.33 0.00 0.00 177.39 177.40 1pk9 n GLY 145 N 1.25 -0.05 3.37 -0.72 0.00 0.19 -5.01 105.19 104.23 1pk9 n GLY 145 Ca 0.16 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1pk9 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk9 s ILE 146 N -2.66 2.90 -0.13 -0.61 1.01 0.43 -5.00 121.20 117.14 1pk9 s ILE 146 Ca 0.00 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 1pk9 s ILE 146 Cb 0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1pk9 s ILE 146 CO 0.00 0.54 0.54 1.51 0.00 0.00 0.00 174.94 177.53 1pk9 s ASP 147 N 0.17 6.72 0.00 3.58 -4.77 -1.26 -3.48 116.67 117.62 1pk9 s ASP 147 Ca -0.08 0.86 0.05 0.00 -3.30 0.00 0.00 52.55 50.08 1pk9 s ASP 147 Cb -0.15 -2.32 -0.02 0.00 -1.09 0.00 0.00 42.92 39.34 1pk9 s ASP 147 CO 0.05 -0.08 -0.17 0.00 0.70 0.00 0.00 175.17 175.67 1pk9 s ALA 148 N 0.97 1.40 -0.06 2.11 0.00 -1.26 -4.43 121.76 120.49 1pk9 s ALA 148 Ca 0.28 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1pk9 s ALA 148 Cb -0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1pk9 s ALA 148 CO 0.12 0.33 0.31 1.03 0.00 0.00 0.00 175.76 177.55 1pk9 s ARG 149 N -0.61 3.81 -0.19 0.00 0.52 -0.95 -4.96 118.95 116.55 1pk9 s ARG 149 Ca 0.06 0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.46 1pk9 s ARG 149 Cb -0.07 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1pk9 s ARG 149 CO -0.00 0.67 -0.11 0.08 0.02 0.00 0.00 175.30 175.96 1pk9 s VAL 150 N -0.88 2.88 0.00 3.52 1.01 -1.26 -0.60 120.40 125.06 1pk9 s VAL 150 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1pk9 s VAL 150 Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1pk9 s VAL 150 CO 0.09 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1pk9 n GLY 151 N 4.55 1.89 3.82 4.51 0.00 -0.78 -4.93 105.19 114.25 1pk9 n GLY 151 Ca -0.19 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1pk9 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pk9 s ASN 152 N 2.00 6.97 0.32 1.61 0.02 -1.26 -1.48 114.94 123.12 1pk9 s ASN 152 Ca 0.00 1.17 0.08 0.00 -1.02 0.00 0.00 52.86 53.09 1pk9 s ASN 152 Cb 0.00 -2.33 -0.04 0.00 0.02 0.00 0.00 41.25 38.91 1pk9 s ASN 152 CO 0.00 0.26 0.15 -0.76 0.02 0.00 0.00 177.10 176.77 1pk9 s LEU 153 N -1.25 3.37 -0.13 0.60 1.02 -0.54 -0.67 118.68 121.08 1pk9 s LEU 153 Ca 0.29 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1pk9 s LEU 153 Cb -0.18 -1.89 0.02 0.00 0.02 0.00 0.00 46.19 44.17 1pk9 s LEU 153 CO 0.18 -0.23 -0.12 0.12 0.02 0.00 0.00 176.35 176.32 1pk9 s PHE 154 N -2.36 1.87 -0.46 0.29 5.36 -0.67 -0.04 117.98 121.98 1pk9 s PHE 154 Ca 0.37 -1.00 -0.16 0.00 -0.96 0.00 0.00 56.93 55.17 1pk9 s PHE 154 Cb -0.04 -1.43 0.05 0.00 -0.34 0.00 0.00 43.02 41.26 1pk9 s PHE 154 CO 0.23 -0.59 0.43 -1.12 -1.46 0.00 0.00 175.22 172.72 1pk9 s SER 155 N 1.53 6.17 0.17 6.13 0.01 0.24 -1.34 113.70 126.61 1pk9 s SER 155 Ca 0.04 -1.07 -0.15 0.00 1.31 0.00 0.00 55.95 56.08 1pk9 s SER 155 Cb -0.13 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 1pk9 s SER 155 CO -0.09 -0.65 0.59 0.00 0.41 0.00 0.00 173.24 173.49 1pk9 s ALA 156 N 1.93 3.54 -0.04 1.44 0.00 -0.02 -3.37 121.76 125.25 1pk9 s ALA 156 Ca 0.08 -0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.05 1pk9 s ALA 156 Cb -0.21 -2.58 -0.23 0.00 0.00 0.00 0.00 23.12 20.10 1pk9 s ALA 156 CO 0.09 0.43 0.69 -0.44 0.00 0.00 0.00 175.76 176.54 1pk9 h ASP 157 N 3.41 0.05 -3.74 0.00 5.19 -1.90 -3.41 116.42 116.02 1pk9 h ASP 157 Ca -0.48 -0.10 -0.69 0.00 -0.62 0.00 0.00 57.03 55.14 1pk9 h ASP 157 Cb 1.19 -0.02 -0.32 0.00 0.18 0.00 0.00 39.33 40.36 1pk9 h ASP 157 CO 0.66 1.09 -0.68 -0.76 -3.12 0.00 0.00 179.24 176.43 1pk9 s LEU 158 N -6.25 4.04 0.30 1.55 1.43 -1.26 -4.95 118.68 113.53 1pk9 s LEU 158 Ca -0.06 -1.30 -0.02 0.00 -1.03 0.00 0.00 54.13 51.72 1pk9 s LEU 158 Cb 0.08 -1.74 0.44 0.00 0.03 0.00 0.00 46.19 45.00 1pk9 s LEU 158 CO 0.82 -0.29 1.96 0.15 0.23 0.00 0.00 176.35 179.23 1pk9 h PHE 159 N 8.03 1.03 -3.56 0.29 3.04 -1.98 -3.20 116.94 120.59 1pk9 h PHE 159 Ca -0.21 0.02 -0.73 0.00 3.98 0.00 0.00 57.97 61.03 1pk9 h PHE 159 Cb 1.06 -0.35 -0.32 0.00 2.56 0.00 0.00 35.95 38.90 1pk9 h PHE 159 CO 0.61 0.66 -0.10 0.71 -2.02 0.00 0.00 178.31 178.16 1pk9 s TYR 160 N -5.90 3.70 0.25 0.41 2.02 -1.26 -5.07 117.35 111.51 1pk9 s TYR 160 Ca -0.11 -2.62 -0.28 0.00 -0.37 0.00 0.00 57.07 53.68 1pk9 s TYR 160 Cb 0.18 -3.42 -0.09 0.00 -0.40 0.00 0.00 41.96 38.22 1pk9 s TYR 160 CO 0.79 -0.86 0.92 -1.54 -1.57 0.00 0.00 175.55 173.30 1pk9 s SER 161 N 0.88 7.54 0.58 2.29 1.04 -1.21 -4.95 113.70 119.86 1pk9 s SER 161 Ca 0.21 1.89 0.36 0.00 0.48 0.00 0.00 55.95 58.89 1pk9 s SER 161 Cb -0.13 -2.59 1.98 0.00 0.10 0.00 0.00 66.02 65.38 1pk9 s SER 161 CO -0.07 0.10 2.11 1.55 0.98 0.00 0.00 173.24 177.91 1pk9 h PRO 162 N 3.90 0.00 -2.80 4.02 0.13 -1.97 -3.40 132.00 131.88 1pk9 h PRO 162 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1pk9 h PRO 162 Cb 1.20 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 1pk9 h PRO 162 CO 0.67 0.00 -0.51 0.34 -0.23 0.00 0.00 178.00 178.27 1pk9 s ASP 163 N -4.73 0.29 0.00 1.44 3.68 -1.26 -5.02 116.67 111.07 1pk9 s ASP 163 Ca -0.04 0.63 0.12 0.00 2.13 0.00 0.00 52.55 55.39 1pk9 s ASP 163 Cb 0.11 0.78 0.72 0.00 -1.45 0.00 0.00 42.92 43.08 1pk9 s ASP 163 CO 0.33 -0.24 1.32 0.61 0.13 0.00 0.00 175.17 177.32 1pk9 n GLY 164 N 5.36 -0.81 0.24 2.66 0.00 -1.26 -3.61 105.19 107.77 1pk9 n GLY 164 Ca -0.06 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1pk9 n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pk9 h GLU 165 N 0.00 0.00 0.00 1.61 4.22 -1.97 -2.00 114.58 116.43 1pk9 h GLU 165 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1pk9 h GLU 165 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pk9 h GLU 165 CO 0.00 0.10 -0.16 1.98 -2.18 0.00 0.00 179.01 178.76 1pk9 h MET 166 N 0.00 0.00 -0.11 1.92 4.05 -2.01 -2.15 114.93 116.63 1pk9 h MET 166 Ca -0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1pk9 h MET 166 Cb 0.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1pk9 h MET 166 CO 0.01 0.16 -0.22 0.74 0.23 0.00 0.00 176.91 177.83 1pk9 h PHE 167 N 0.00 0.20 -0.41 1.39 -1.00 -1.65 0.08 116.94 115.55 1pk9 h PHE 167 Ca -0.00 -0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.63 1pk9 h PHE 167 Cb 0.36 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1pk9 h PHE 167 CO 0.00 0.40 -0.19 -0.44 -1.61 0.00 0.00 178.31 176.48 1pk9 h ASP 168 N 0.17 0.88 -0.21 2.17 3.45 -1.51 -1.82 116.42 119.56 1pk9 h ASP 168 Ca 0.03 -0.40 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 1pk9 h ASP 168 Cb 0.49 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1pk9 h ASP 168 CO 0.03 1.08 0.10 0.58 -1.57 0.00 0.00 179.24 179.47 1pk9 h VAL 169 N 0.68 1.14 -0.75 -1.35 2.07 -1.35 -1.36 116.25 115.32 1pk9 h VAL 169 Ca 0.09 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.29 1pk9 h VAL 169 Cb 0.74 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1pk9 h VAL 169 CO 0.06 0.14 0.39 0.24 0.02 0.00 0.00 177.57 178.42 1pk9 h MET 170 N 0.21 0.64 -0.56 1.57 2.86 -0.90 -1.60 114.93 117.15 1pk9 h MET 170 Ca 0.07 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1pk9 h MET 170 Cb 0.13 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1pk9 h MET 170 CO -0.01 0.43 0.17 1.49 1.06 0.00 0.00 176.91 180.04 1pk9 h GLU 171 N 0.66 0.88 -0.42 1.72 4.81 -1.02 -1.93 114.58 119.29 1pk9 h GLU 171 Ca 0.37 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1pk9 h GLU 171 Cb 0.37 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1pk9 h GLU 171 CO -0.26 0.81 0.18 -0.22 -0.73 0.00 0.00 179.01 178.78 1pk9 h LYS 172 N 0.79 0.59 -0.61 1.92 3.64 -0.36 -2.61 116.57 119.94 1pk9 h LYS 172 Ca 0.18 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1pk9 h LYS 172 Cb 0.30 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1pk9 h LYS 172 CO -0.00 0.48 0.00 0.66 -2.27 0.00 0.00 179.45 178.32 1pk9 n TYR 173 N -4.38 1.07 -1.06 1.91 4.01 -0.69 -4.95 117.16 113.07 1pk9 n TYR 173 Ca 0.03 -0.44 -0.02 0.00 -0.16 0.00 0.00 57.90 57.31 1pk9 n TYR 173 Cb 0.14 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.00 1pk9 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pk9 n GLY 174 N 1.06 0.54 3.72 2.72 0.00 -0.98 -5.01 105.19 107.24 1pk9 n GLY 174 Ca 0.20 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1pk9 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk9 s ILE 175 N -2.05 2.11 0.03 -0.61 1.09 -0.75 -4.54 121.20 116.48 1pk9 s ILE 175 Ca 0.00 0.02 -0.03 0.00 -1.10 0.00 0.00 60.65 59.54 1pk9 s ILE 175 Cb 0.00 -3.01 -0.28 0.00 -1.06 0.00 0.00 42.46 38.11 1pk9 s ILE 175 CO 0.00 0.00 0.97 -0.07 -0.10 0.00 0.00 174.94 175.75 1pk9 h LEU 176 N 7.10 0.39 -7.19 2.97 3.38 -1.24 -3.41 115.31 117.31 1pk9 h LEU 176 Ca -0.44 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 56.98 1pk9 h LEU 176 Cb 1.20 -0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 1pk9 h LEU 176 CO 0.96 1.40 0.04 -0.83 0.09 0.00 0.00 178.44 180.10 1pk9 s GLY 177 N -4.83 -0.43 -0.22 0.83 0.00 -1.25 -4.48 107.32 96.93 1pk9 s GLY 177 Ca -0.07 0.67 -0.04 0.00 0.00 0.00 0.00 44.72 45.28 1pk9 s GLY 177 CO 0.87 0.37 -0.02 0.14 0.00 0.00 0.00 173.10 174.45 1pk9 s VAL 178 N -2.26 3.62 0.00 1.40 1.01 0.16 -1.66 120.40 122.66 1pk9 s VAL 178 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1pk9 s VAL 178 Cb -0.01 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1pk9 s VAL 178 CO -0.00 0.42 0.00 -1.84 0.00 0.00 0.00 175.10 173.67 1pk9 n GLU 179 N 4.63 0.24 -0.43 2.72 -0.00 -0.45 -1.61 120.64 125.75 1pk9 n GLU 179 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.00 1pk9 n GLU 179 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.97 1pk9 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pk9 n MET 180 N 0.00 0.19 0.00 3.44 2.81 -1.26 -0.84 117.12 121.46 1pk9 n MET 180 Ca 0.00 -1.22 0.00 0.00 -1.81 0.00 0.00 57.70 54.67 1pk9 n MET 180 Cb 0.00 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 1pk9 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1pk9 n GLU 181 N -0.21 0.10 -0.39 0.03 4.71 -1.26 -2.42 120.64 121.20 1pk9 n GLU 181 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.13 1pk9 n GLU 181 Cb 0.69 -0.52 -0.00 0.00 -1.01 0.00 0.00 31.44 30.59 1pk9 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1pk9 n ALA 182 N -0.99 -0.28 0.17 0.62 0.00 -1.26 -0.45 120.51 118.33 1pk9 n ALA 182 Ca 0.00 0.95 0.12 0.00 0.00 0.00 0.00 53.44 54.51 1pk9 n ALA 182 Cb 0.02 -0.35 0.66 0.00 0.00 0.00 0.00 19.45 19.78 1pk9 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pk9 h ALA 183 N 1.11 2.18 0.03 0.00 0.00 -1.84 -0.76 119.26 119.99 1pk9 h ALA 183 Ca 0.29 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.95 1pk9 h ALA 183 Cb 0.54 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.37 1pk9 h ALA 183 CO -0.97 -0.24 -0.97 0.78 0.00 0.00 0.00 179.25 177.85 1pk9 h GLY 184 N 0.00 0.67 1.09 0.00 0.00 -1.12 -2.65 103.07 101.07 1pk9 h GLY 184 Ca 0.09 -1.24 -0.12 0.00 0.00 0.00 0.00 47.33 46.06 1pk9 h GLY 184 CO -0.00 1.09 -0.14 -2.22 0.00 0.00 0.00 176.54 175.27 1pk9 h ILE 185 N 0.21 1.27 -0.41 2.60 2.04 -0.79 -2.35 117.51 120.09 1pk9 h ILE 185 Ca -0.13 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1pk9 h ILE 185 Cb 1.65 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1pk9 h ILE 185 CO 0.19 0.46 0.04 1.88 0.00 0.00 0.00 178.15 180.71 1pk9 h TYR 186 N 0.88 0.65 -0.54 1.37 0.99 -1.22 -0.75 116.97 118.36 1pk9 h TYR 186 Ca 0.13 -0.06 -0.11 0.00 2.00 0.00 0.00 58.73 60.69 1pk9 h TYR 186 Cb 0.71 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 38.24 1pk9 h TYR 186 CO 0.05 0.60 -0.08 0.78 -0.00 0.00 0.00 178.16 179.51 1pk9 h GLY 187 N 0.88 1.08 0.96 3.88 0.00 -1.23 -2.08 103.07 106.56 1pk9 h GLY 187 Ca 0.13 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 1pk9 h GLY 187 CO 0.01 0.79 0.04 -2.08 0.00 0.00 0.00 176.54 175.29 1pk9 h VAL 188 N 0.87 1.25 -0.61 4.60 2.07 -0.99 -1.03 116.25 122.42 1pk9 h VAL 188 Ca 0.14 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1pk9 h VAL 188 Cb 0.64 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1pk9 h VAL 188 CO 0.04 0.33 0.37 0.00 0.02 0.00 0.00 177.57 178.33 1pk9 h ALA 189 N 0.92 0.80 -0.35 1.67 0.00 -1.00 -1.02 119.26 120.28 1pk9 h ALA 189 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1pk9 h ALA 189 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pk9 h ALA 189 CO 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 1pk9 h ALA 190 N 1.28 0.47 -0.62 0.00 0.00 -1.22 0.11 119.26 119.29 1pk9 h ALA 190 Ca 0.25 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1pk9 h ALA 190 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1pk9 h ALA 190 CO -0.12 0.28 0.19 1.49 0.00 0.00 0.00 179.25 181.09 1pk9 h GLU 191 N 0.44 0.93 -0.32 0.00 4.81 -0.83 -3.16 114.58 116.44 1pk9 h GLU 191 Ca 0.09 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1pk9 h GLU 191 Cb 0.52 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1pk9 h GLU 191 CO 0.03 0.80 0.00 1.19 -0.73 0.00 0.00 179.01 180.29 1pk9 n PHE 192 N -4.28 0.83 -3.36 0.92 3.01 -0.42 -5.01 117.46 109.15 1pk9 n PHE 192 Ca 0.05 -0.72 -0.16 0.00 1.01 0.00 0.00 57.45 57.62 1pk9 n PHE 192 Cb 0.21 -0.21 0.08 0.00 -0.01 0.00 0.00 39.48 39.55 1pk9 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pk9 n GLY 193 N -0.02 -0.62 2.21 1.37 0.00 -0.27 -4.97 105.19 102.88 1pk9 n GLY 193 Ca 0.18 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 1pk9 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pk9 n ALA 194 N -3.81 0.36 -2.38 4.61 0.00 0.22 -5.04 120.51 114.47 1pk9 n ALA 194 Ca -0.21 -1.37 -0.31 0.00 0.00 0.00 0.00 53.44 51.55 1pk9 n ALA 194 Cb 0.65 0.89 -0.14 0.00 0.00 0.00 0.00 19.45 20.85 1pk9 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pk9 s LYS 195 N -3.04 2.01 0.06 0.00 1.02 -0.47 -4.52 119.74 114.81 1pk9 s LYS 195 Ca 0.11 -1.00 -0.08 0.00 0.02 0.00 0.00 55.97 55.03 1pk9 s LYS 195 Cb 0.01 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1pk9 s LYS 195 CO 0.08 0.54 0.16 0.00 -0.92 0.00 0.00 175.35 175.21 1pk9 s ALA 196 N -0.79 -0.19 -0.15 5.17 0.00 -1.26 -1.23 121.76 123.31 1pk9 s ALA 196 Ca 0.12 -0.55 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1pk9 s ALA 196 Cb -0.10 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.44 1pk9 s ALA 196 CO 0.02 -0.43 0.51 -1.17 0.00 0.00 0.00 175.76 174.70 1pk9 s LEU 197 N -2.52 0.05 -0.13 0.00 2.96 -0.35 -1.86 118.68 116.83 1pk9 s LEU 197 Ca 0.01 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1pk9 s LEU 197 Cb 0.02 1.81 0.01 0.00 0.50 0.00 0.00 46.19 48.53 1pk9 s LEU 197 CO -0.08 -0.27 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.57 1pk9 s THR 198 N -0.15 2.02 -0.05 3.68 2.01 -1.26 -0.51 115.64 121.37 1pk9 s THR 198 Ca -0.03 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.06 1pk9 s THR 198 Cb -0.03 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1pk9 s THR 198 CO 0.02 0.54 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.65 1pk9 s ILE 199 N 0.75 2.35 0.05 1.82 1.01 -0.16 -1.70 121.20 125.33 1pk9 s ILE 199 Ca -0.09 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1pk9 s ILE 199 Cb -0.16 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1pk9 s ILE 199 CO -0.00 0.57 -0.06 0.00 0.00 0.00 0.00 174.94 175.45 1pk9 s THR 201 N -2.15 3.31 -0.22 0.00 -4.23 -0.81 0.13 115.64 111.67 1pk9 s THR 201 Ca -0.05 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.56 1pk9 s THR 201 Cb -0.05 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1pk9 s THR 201 CO -0.02 0.57 1.46 -0.69 -0.54 0.00 0.00 174.62 175.39 1pk9 s VAL 202 N -0.35 3.93 -0.52 2.29 1.01 0.19 -1.93 120.40 125.02 1pk9 s VAL 202 Ca 0.04 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.27 1pk9 s VAL 202 Cb -0.12 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.14 1pk9 s VAL 202 CO 0.02 -0.31 0.63 -1.54 0.00 0.00 0.00 175.10 173.90 1pk9 n SER 203 N 7.77 0.79 -3.56 3.32 3.41 -0.18 -0.04 113.62 125.13 1pk9 n SER 203 Ca 0.16 -0.55 -0.15 0.00 -0.26 0.00 0.00 58.87 58.08 1pk9 n SER 203 Cb 0.45 1.35 -0.05 0.00 -0.26 0.00 0.00 64.21 65.70 1pk9 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pk9 s ASP 204 N -3.31 -0.49 -0.67 4.04 -4.77 -1.23 -4.95 116.67 105.28 1pk9 s ASP 204 Ca 0.01 0.29 0.05 0.00 -3.30 0.00 0.00 52.55 49.61 1pk9 s ASP 204 Cb 0.13 0.50 0.19 0.00 -1.09 0.00 0.00 42.92 42.65 1pk9 s ASP 204 CO 0.76 -0.69 0.53 1.57 0.70 0.00 0.00 175.17 178.04 1pk9 n HIS 205 N 0.53 2.97 -0.44 2.11 -0.00 -1.25 -0.69 115.22 118.44 1pk9 n HIS 205 Ca -0.19 -4.20 -0.17 0.00 0.46 0.00 0.00 57.72 53.62 1pk9 n HIS 205 Cb 0.60 -0.55 -0.02 0.00 -0.12 0.00 0.00 29.99 29.90 1pk9 n HIS 205 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1pk9 n ILE 206 N 1.81 0.02 -0.98 3.57 5.41 -0.94 0.58 119.36 128.83 1pk9 n ILE 206 Ca 0.23 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1pk9 n ILE 206 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 1pk9 n ILE 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pk9 n ARG 207 N 0.44 -0.50 -2.95 0.38 3.00 -1.26 -4.81 116.66 110.96 1pk9 n ARG 207 Ca 0.06 0.13 -0.01 0.00 -0.00 0.00 0.00 57.85 58.02 1pk9 n ARG 207 Cb 0.03 -3.51 0.00 0.00 0.00 0.00 0.00 32.46 28.98 1pk9 n ARG 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1pk9 s THR 208 N -1.89 -0.84 -0.30 5.15 2.01 0.20 -5.13 115.64 114.83 1pk9 s THR 208 Ca 0.00 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.39 1pk9 s THR 208 Cb 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 72.50 72.51 1pk9 s THR 208 CO 0.00 0.00 0.78 -1.38 -0.69 0.00 0.00 174.62 173.33 1pk9 s HIS 209 N 1.43 3.22 0.00 4.92 -3.43 -1.26 -3.90 115.29 116.27 1pk9 s HIS 209 Ca 0.22 0.84 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 1pk9 s HIS 209 Cb -0.00 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 1pk9 s HIS 209 CO -0.07 -0.53 0.00 0.39 -2.00 0.00 0.00 174.74 172.52 1pk9 n GLU 210 N 6.15 3.48 -4.10 -0.38 4.71 -1.26 -5.08 120.64 124.15 1pk9 n GLU 210 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.05 1pk9 n GLU 210 Cb 0.48 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.80 1pk9 n GLU 210 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1pk9 s GLN 211 N 2.95 0.64 -0.00 3.49 1.03 -1.26 -5.10 119.66 121.41 1pk9 s GLN 211 Ca 0.00 -0.92 -0.16 0.00 0.04 0.00 0.00 55.36 54.32 1pk9 s GLN 211 Cb 0.00 -0.36 0.03 0.00 0.03 0.00 0.00 33.01 32.71 1pk9 s GLN 211 CO 0.00 0.06 0.34 0.95 -2.54 0.00 0.00 175.29 174.09 1pk9 s THR 212 N -1.85 0.06 0.16 3.63 -4.23 -1.26 -5.12 115.64 107.02 1pk9 s THR 212 Ca -0.04 -0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1pk9 s THR 212 Cb -0.07 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 73.01 1pk9 s THR 212 CO -0.00 -0.26 0.39 0.42 -0.54 0.00 0.00 174.62 174.62 1pk9 s THR 213 N -1.58 5.16 0.60 3.99 -4.23 -1.26 -4.97 115.64 113.37 1pk9 s THR 213 Ca -0.12 -0.02 0.30 0.00 -1.18 0.00 0.00 61.69 60.67 1pk9 s THR 213 Cb -0.04 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.52 1pk9 s THR 213 CO 0.03 -0.01 2.04 0.00 -0.54 0.00 0.00 174.62 176.15 1pk9 h ALA 214 N 2.66 1.79 0.07 3.99 0.00 -2.02 0.17 119.26 125.92 1pk9 h ALA 214 Ca -0.46 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.19 1pk9 h ALA 214 Cb 1.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pk9 h ALA 214 CO 0.72 -0.39 -1.10 0.00 0.00 0.00 0.00 179.25 178.48 1pk9 h ALA 215 N 1.65 0.24 -0.39 0.00 0.00 -1.99 -2.46 119.26 116.30 1pk9 h ALA 215 Ca 0.10 -0.82 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 1pk9 h ALA 215 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pk9 h ALA 215 CO -0.00 0.94 -0.12 0.93 0.00 0.00 0.00 179.25 181.00 1pk9 h GLU 216 N 0.11 0.78 -0.75 0.00 5.08 -1.08 -2.14 114.58 116.58 1pk9 h GLU 216 Ca -0.10 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 57.89 1pk9 h GLU 216 Cb 1.80 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.98 1pk9 h GLU 216 CO 0.18 0.93 0.24 0.00 -1.00 0.00 0.00 179.01 179.35 1pk9 h ARG 217 N 0.59 1.17 -0.40 2.33 2.47 -1.41 -1.22 114.38 117.91 1pk9 h ARG 217 Ca 0.10 -0.25 0.03 0.00 -1.26 0.00 0.00 59.98 58.60 1pk9 h ARG 217 Cb 0.66 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.77 1pk9 h ARG 217 CO 0.04 0.99 0.20 0.37 0.56 0.00 0.00 179.97 182.13 1pk9 h GLN 218 N 1.12 0.40 0.13 0.04 5.75 -1.29 -0.31 115.11 120.94 1pk9 h GLN 218 Ca 0.24 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1pk9 h GLN 218 Cb 0.30 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.77 1pk9 h GLN 218 CO -0.01 0.26 -0.06 1.15 -2.65 0.00 0.00 178.83 177.52 1pk9 h THR 219 N 0.41 0.93 -0.83 2.39 2.02 -1.02 -1.75 112.91 115.05 1pk9 h THR 219 Ca 0.17 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1pk9 h THR 219 Cb 0.07 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1pk9 h THR 219 CO -0.11 0.05 0.55 0.74 0.37 0.00 0.00 175.52 177.11 1pk9 h THR 220 N -0.26 1.21 -0.42 3.16 2.02 -1.05 -0.58 112.91 116.99 1pk9 h THR 220 Ca -0.02 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1pk9 h THR 220 Cb 0.21 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1pk9 h THR 220 CO 0.03 0.21 0.18 0.15 0.37 0.00 0.00 175.52 176.45 1pk9 h PHE 221 N 1.12 0.64 -0.47 3.16 3.04 -0.96 -1.54 116.94 121.93 1pk9 h PHE 221 Ca 0.31 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1pk9 h PHE 221 Cb -0.13 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 1pk9 h PHE 221 CO -0.01 0.55 0.16 -0.91 -2.02 0.00 0.00 178.31 176.07 1pk9 h ASN 222 N 0.54 0.62 -0.34 0.41 -0.26 -0.94 -2.17 115.58 113.44 1pk9 h ASN 222 Ca 0.14 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1pk9 h ASN 222 Cb 0.17 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 1pk9 h ASN 222 CO -0.01 0.58 0.18 0.44 -1.06 0.00 0.00 177.43 177.56 1pk9 h ASP 223 N 0.67 0.43 -0.87 5.81 3.45 -0.54 -1.27 116.42 124.11 1pk9 h ASP 223 Ca 0.16 -0.09 0.01 0.00 0.43 0.00 0.00 57.03 57.54 1pk9 h ASP 223 Cb 0.18 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 1pk9 h ASP 223 CO -0.01 0.40 0.57 -0.03 -1.57 0.00 0.00 179.24 178.60 1pk9 h MET 224 N 0.42 1.14 -0.37 3.56 4.05 -0.84 -0.77 114.93 122.12 1pk9 h MET 224 Ca 0.12 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.39 1pk9 h MET 224 Cb 0.07 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 1pk9 h MET 224 CO -0.02 0.75 -0.10 0.82 0.23 0.00 0.00 176.91 178.60 1pk9 h ILE 225 N 1.17 1.28 -0.55 1.77 1.08 -1.18 -1.16 117.51 119.92 1pk9 h ILE 225 Ca 0.32 -1.18 -0.06 0.00 -0.39 0.00 0.00 64.86 63.55 1pk9 h ILE 225 Cb -0.13 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1pk9 h ILE 225 CO -0.07 0.39 0.12 0.50 -0.69 0.00 0.00 178.15 178.40 1pk9 h LYS 226 N 0.53 0.86 -0.33 2.37 3.64 -0.98 -0.33 116.57 122.32 1pk9 h LYS 226 Ca 0.09 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1pk9 h LYS 226 Cb 0.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1pk9 h LYS 226 CO 0.04 0.78 0.14 0.82 -2.27 0.00 0.00 179.45 178.96 1pk9 h ILE 227 N 0.83 1.17 0.05 2.00 2.04 -0.97 -0.33 117.51 122.30 1pk9 h ILE 227 Ca 0.18 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1pk9 h ILE 227 Cb 0.32 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1pk9 h ILE 227 CO 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.31 1pk9 h ALA 228 N 0.99 -0.06 -0.54 1.87 0.00 -0.80 -0.75 119.26 119.96 1pk9 h ALA 228 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1pk9 h ALA 228 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1pk9 h ALA 228 CO -0.01 -0.52 0.22 -0.07 0.00 0.00 0.00 179.25 178.86 1pk9 h LEU 229 N -0.09 0.75 -1.22 0.00 3.38 -0.98 -2.37 115.31 114.77 1pk9 h LEU 229 Ca -0.01 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1pk9 h LEU 229 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1pk9 h LEU 229 CO 0.01 0.71 -0.33 -0.33 0.09 0.00 0.00 178.44 178.59 1pk9 h GLU 230 N 0.73 0.00 -0.43 1.13 4.39 -1.01 -2.83 114.58 116.57 1pk9 h GLU 230 Ca 0.18 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1pk9 h GLU 230 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1pk9 h GLU 230 CO -0.01 0.33 -0.12 0.66 -1.16 0.00 0.00 179.01 178.71 1pk9 h SER 231 N 0.00 0.77 -0.22 1.42 4.64 -0.62 -2.55 113.55 116.99 1pk9 h SER 231 Ca -0.00 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1pk9 h SER 231 Cb 0.72 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1pk9 h SER 231 CO 0.04 0.91 0.14 0.58 -0.87 0.00 0.00 176.83 177.63 1pk9 h VAL 232 N 0.71 1.08 -0.93 0.95 2.07 -1.22 -1.31 116.25 117.60 1pk9 h VAL 232 Ca 0.12 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1pk9 h VAL 232 Cb 0.60 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1pk9 h VAL 232 CO 0.04 0.08 0.61 -0.07 0.02 0.00 0.00 177.57 178.25 1pk9 h LEU 233 N 0.27 1.01 -0.76 2.57 3.38 -1.48 -0.87 115.31 119.43 1pk9 h LEU 233 Ca 0.08 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1pk9 h LEU 233 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1pk9 h LEU 233 CO -0.02 0.70 0.30 -0.07 0.09 0.00 0.00 178.44 179.44 1pk9 h LEU 234 N 1.18 1.06 -1.77 1.67 4.07 -1.07 -2.17 115.31 118.29 1pk9 h LEU 234 Ca 0.36 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 1pk9 h LEU 234 Cb -0.01 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.45 1pk9 h LEU 234 CO -0.11 0.95 -0.16 1.23 -1.08 0.00 0.00 178.44 179.28 1pk9 h GLY 235 N 1.11 0.00 2.00 0.83 0.00 -0.03 -1.92 103.07 105.06 1pk9 h GLY 235 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1pk9 h GLY 235 CO -0.02 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.74 1pk9 n ASP 236 N -3.79 0.44 -0.88 0.19 10.43 -0.66 -5.10 116.55 117.17 1pk9 n ASP 236 Ca -0.02 0.55 0.12 0.00 2.57 0.00 0.00 54.79 58.02 1pk9 n ASP 236 Cb 0.26 -0.67 0.17 0.00 1.84 0.00 0.00 41.12 42.72 1pk9 n ASP 236 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42