#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9s s THR 2 N 0.00 1.99 0.59 0.00 -4.23 -0.62 -5.02 115.64 108.35 1k9s s THR 2 Ca 0.00 -2.12 0.29 0.00 -1.18 0.00 0.00 61.69 58.67 1k9s s THR 2 Cb 0.00 -2.72 0.35 0.00 1.34 0.00 0.00 72.50 71.47 1k9s s THR 2 CO 0.00 -0.15 2.23 -0.65 -0.54 0.00 0.00 174.62 175.51 1k9s h PRO 3 N 2.01 0.00 -0.03 3.99 0.11 -2.02 -3.03 132.00 133.03 1k9s h PRO 3 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1k9s h PRO 3 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1k9s h PRO 3 CO 0.73 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.24 1k9s n HIS 4 N -3.90 0.03 -3.69 0.65 8.25 -1.26 -4.95 115.22 110.35 1k9s n HIS 4 Ca -0.02 -0.12 -0.24 0.00 -0.26 0.00 0.00 57.72 57.08 1k9s n HIS 4 Cb 0.11 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.04 1k9s n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1k9s s ILE 5 N -0.45 0.13 -1.02 1.59 1.01 -1.15 -4.70 121.20 116.61 1k9s s ILE 5 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 1k9s s ILE 5 Cb 0.03 -0.53 0.23 0.00 0.01 0.00 0.00 42.46 42.20 1k9s s ILE 5 CO 0.04 -0.00 1.06 0.21 0.00 0.00 0.00 174.94 176.25 1k9s s ASN 6 N 2.06 7.04 0.28 3.58 2.47 -1.26 -1.59 114.94 127.51 1k9s s ASN 6 Ca 0.03 -3.05 -0.14 0.00 0.42 0.00 0.00 52.86 50.12 1k9s s ASN 6 Cb -0.14 -2.26 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 1k9s s ASN 6 CO -0.06 -0.53 0.57 0.00 -3.72 0.00 0.00 177.10 173.35 1k9s s ALA 7 N 0.07 -0.43 0.24 1.71 0.00 -1.26 -4.61 121.76 117.48 1k9s s ALA 7 Ca 0.29 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1k9s s ALA 7 Cb -0.08 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 1k9s s ALA 7 CO -0.07 -0.91 -0.19 -1.21 0.00 0.00 0.00 175.76 173.38 1k9s s GLU 8 N -3.73 1.55 0.11 0.00 0.41 -1.26 -2.94 118.70 112.83 1k9s s GLU 8 Ca 0.20 -1.67 -0.36 0.00 -0.41 0.00 0.00 54.97 52.73 1k9s s GLU 8 Cb -0.02 -1.60 -0.16 0.00 -1.78 0.00 0.00 34.13 30.57 1k9s s GLU 8 CO 0.10 0.30 1.42 -0.12 -0.49 0.00 0.00 175.26 176.47 1k9s n MET 9 N -0.37 1.45 0.00 1.61 0.00 -1.26 -0.79 117.12 117.76 1k9s n MET 9 Ca -0.07 0.52 0.00 0.00 -0.00 0.00 0.00 57.70 58.15 1k9s n MET 9 Cb 0.59 -2.21 0.00 0.00 0.00 0.00 0.00 33.22 31.61 1k9s n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1k9s n GLY 10 N 2.81 2.94 0.22 -5.12 0.00 -1.26 -4.91 105.19 99.87 1k9s n GLY 10 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1k9s n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k9s h ASP 11 N 0.12 0.00 -3.35 1.61 3.32 -1.34 -3.43 116.42 113.34 1k9s h ASP 11 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1k9s h ASP 11 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1k9s h ASP 11 CO 0.00 0.22 -0.64 -0.36 -1.72 0.00 0.00 179.24 176.74 1k9s s PHE 12 N -3.66 3.11 1.06 4.55 0.08 -1.26 -4.70 117.98 117.16 1k9s s PHE 12 Ca 0.00 0.12 -0.16 0.00 0.12 0.00 0.00 56.93 57.02 1k9s s PHE 12 Cb 0.10 -1.72 0.22 0.00 -0.57 0.00 0.00 43.02 41.06 1k9s s PHE 12 CO 0.63 0.46 1.15 0.00 -0.10 0.00 0.00 175.22 177.36 1k9s s ALA 13 N -1.00 1.17 -1.00 5.36 0.00 -1.26 -4.94 121.76 120.09 1k9s s ALA 13 Ca 0.17 -0.79 0.29 0.00 0.00 0.00 0.00 51.96 51.63 1k9s s ALA 13 Cb -0.11 -2.94 1.23 0.00 0.00 0.00 0.00 23.12 21.29 1k9s s ALA 13 CO 0.07 -2.99 1.92 -0.40 0.00 0.00 0.00 175.76 174.36 1k9s n ASP 14 N -4.28 0.01 -4.17 0.00 5.75 -1.26 -4.66 116.55 107.93 1k9s n ASP 14 Ca 0.10 0.50 -0.29 0.00 -0.01 0.00 0.00 54.79 55.09 1k9s n ASP 14 Cb 0.59 -0.50 -0.17 0.00 -1.03 0.00 0.00 41.12 40.01 1k9s n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1k9s s VAL 15 N -3.00 1.73 -0.07 2.12 1.01 -1.26 -1.22 120.40 119.71 1k9s s VAL 15 Ca 0.14 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1k9s s VAL 15 Cb 0.19 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1k9s s VAL 15 CO 0.53 0.49 -0.09 -0.69 0.00 0.00 0.00 175.10 175.34 1k9s s VAL 16 N 0.20 0.93 -0.00 2.92 1.01 -0.65 -2.44 120.40 122.36 1k9s s VAL 16 Ca -0.11 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1k9s s VAL 16 Cb -0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 1k9s s VAL 16 CO 0.05 0.32 0.55 -0.76 0.00 0.00 0.00 175.10 175.26 1k9s s LEU 17 N 1.08 4.43 -0.22 3.92 1.02 0.17 -1.06 118.68 128.02 1k9s s LEU 17 Ca -0.07 1.11 -0.03 0.00 0.02 0.00 0.00 54.13 55.16 1k9s s LEU 17 Cb -0.14 -2.84 0.07 0.00 0.02 0.00 0.00 46.19 43.30 1k9s s LEU 17 CO -0.01 0.16 0.06 -0.04 0.02 0.00 0.00 176.35 176.54 1k9s s MET 18 N -0.40 0.57 0.55 1.70 -1.94 0.14 -1.18 119.30 118.76 1k9s s MET 18 Ca 0.29 -0.52 -0.03 0.00 -1.71 0.00 0.00 55.69 53.72 1k9s s MET 18 Cb -0.18 -1.97 0.02 0.00 2.01 0.00 0.00 34.83 34.70 1k9s s MET 18 CO 0.16 -0.74 0.82 -1.25 -0.01 0.00 0.00 175.02 174.00 1k9s s PRO 19 N 1.86 2.82 0.23 2.03 0.04 -1.23 -1.70 135.00 139.05 1k9s s PRO 19 Ca 0.02 -0.31 0.12 0.00 0.04 0.00 0.00 61.00 60.87 1k9s s PRO 19 Cb -0.17 -2.38 0.06 0.00 0.04 0.00 0.00 34.50 32.05 1k9s s PRO 19 CO -0.14 -0.63 1.43 0.78 0.04 0.00 0.00 177.00 178.47 1k9s h GLY 20 N -0.01 0.00 -6.71 0.56 0.00 -1.82 -0.97 103.07 94.12 1k9s h GLY 20 Ca -0.45 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.26 1k9s h GLY 20 CO 0.58 0.00 0.18 -0.35 0.00 0.00 0.00 176.54 176.95 1k9s s ASP 21 N -6.58 6.49 0.56 0.19 2.15 -1.26 -1.54 116.67 116.68 1k9s s ASP 21 Ca 0.02 0.37 0.28 0.00 0.43 0.00 0.00 52.55 53.65 1k9s s ASP 21 Cb 0.09 -2.34 1.64 0.00 -0.30 0.00 0.00 42.92 42.01 1k9s s ASP 21 CO 0.77 -0.53 2.17 1.55 -0.17 0.00 0.00 175.17 178.96 1k9s h PRO 22 N 8.27 0.00 0.00 4.34 0.13 -1.88 -0.97 132.00 141.89 1k9s h PRO 22 Ca -0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 1k9s h PRO 22 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1k9s h PRO 22 CO 0.82 0.06 -0.50 -0.07 -0.23 0.00 0.00 178.00 178.08 1k9s h LEU 23 N 0.00 0.00 -0.29 1.56 3.38 -1.92 -1.66 115.31 116.37 1k9s h LEU 23 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1k9s h LEU 23 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1k9s h LEU 23 CO 0.01 0.50 -0.83 -0.09 0.09 0.00 0.00 178.44 178.12 1k9s h ARG 24 N 0.00 0.39 -0.54 1.13 2.43 -1.36 -1.87 114.38 114.56 1k9s h ARG 24 Ca -0.01 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 58.74 1k9s h ARG 24 Cb 1.18 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1k9s h ARG 24 CO 0.07 1.03 0.10 0.00 -1.51 0.00 0.00 179.97 179.65 1k9s h ALA 25 N 0.86 1.16 -0.21 2.80 0.00 -1.13 -0.25 119.26 122.48 1k9s h ALA 25 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1k9s h ALA 25 Cb 1.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1k9s h ALA 25 CO 0.14 0.56 0.05 -0.22 0.00 0.00 0.00 179.25 179.79 1k9s h LYS 26 N 0.81 0.34 -0.57 0.00 3.64 -1.18 -0.85 116.57 118.76 1k9s h LYS 26 Ca 0.17 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1k9s h LYS 26 Cb 0.34 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1k9s h LYS 26 CO 0.00 0.46 0.38 -0.92 -2.27 0.00 0.00 179.45 177.11 1k9s h TYR 27 N 0.16 0.72 -0.51 1.91 3.20 -1.06 -0.83 116.97 120.55 1k9s h TYR 27 Ca 0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1k9s h TYR 27 Cb 0.27 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1k9s h TYR 27 CO 0.01 0.45 0.27 0.82 -1.64 0.00 0.00 178.16 178.07 1k9s h ILE 28 N 0.77 1.18 -0.73 1.81 2.04 -0.89 -0.12 117.51 121.58 1k9s h ILE 28 Ca 0.21 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1k9s h ILE 28 Cb -0.08 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1k9s h ILE 28 CO -0.05 0.20 0.38 0.00 0.00 0.00 0.00 178.15 178.68 1k9s h ALA 29 N 1.11 0.93 0.00 1.87 0.00 -0.77 0.24 119.26 122.64 1k9s h ALA 29 Ca 0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1k9s h ALA 29 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1k9s h ALA 29 CO -0.03 0.47 -0.43 0.93 0.00 0.00 0.00 179.25 180.19 1k9s h GLU 30 N 1.01 0.00 0.00 0.00 5.08 -0.91 -3.17 114.58 116.59 1k9s h GLU 30 Ca 0.25 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.29 1k9s h GLU 30 Cb 0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1k9s h GLU 30 CO -0.04 0.43 -2.21 2.41 -1.00 0.00 0.00 179.01 178.61 1k9s n THR 31 N -3.41 1.22 0.06 1.13 -1.04 -0.08 -4.75 114.28 107.41 1k9s n THR 31 Ca 0.01 -0.56 0.08 0.00 -2.04 0.00 0.00 64.05 61.54 1k9s n THR 31 Cb 0.60 -1.03 -0.13 0.00 -1.82 0.00 0.00 70.33 67.95 1k9s n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1k9s n PHE 32 N -2.97 0.00 -4.09 -1.42 3.01 0.82 -5.01 117.46 107.80 1k9s n PHE 32 Ca -0.35 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 57.88 1k9s n PHE 32 Cb 0.96 -0.35 -0.04 0.00 -0.01 0.00 0.00 39.48 40.03 1k9s n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k9s s LEU 33 N -4.05 3.87 0.04 4.37 1.43 -1.20 -4.76 118.68 118.39 1k9s s LEU 33 Ca -0.05 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1k9s s LEU 33 Cb 0.11 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1k9s s LEU 33 CO 0.70 -0.02 -0.00 -1.61 0.23 0.00 0.00 176.35 175.65 1k9s s GLU 34 N -3.69 2.67 -1.57 1.70 2.02 0.26 -4.60 118.70 115.49 1k9s s GLU 34 Ca 0.33 -0.72 -0.14 0.00 0.02 0.00 0.00 54.97 54.45 1k9s s GLU 34 Cb -0.08 -2.60 0.10 0.00 0.10 0.00 0.00 34.13 31.64 1k9s s GLU 34 CO 0.25 0.58 0.89 -0.25 0.02 0.00 0.00 175.26 176.75 1k9s n ASP 35 N 1.00 -4.01 -4.77 -0.19 8.00 -1.26 -1.70 116.55 113.62 1k9s n ASP 35 Ca -0.13 -0.86 -0.40 0.00 0.71 0.00 0.00 54.79 54.12 1k9s n ASP 35 Cb 0.52 -3.52 -0.03 0.00 -0.02 0.00 0.00 41.12 38.07 1k9s n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9s s ALA 36 N -3.34 3.34 -0.01 2.24 0.00 -1.26 -4.57 121.76 118.16 1k9s s ALA 36 Ca 0.63 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.62 1k9s s ALA 36 Cb -0.32 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 1k9s s ALA 36 CO 0.86 -0.40 -0.11 -0.98 0.00 0.00 0.00 175.76 175.14 1k9s s ARG 37 N -1.85 0.85 0.02 0.00 1.70 -0.42 -4.95 118.95 114.29 1k9s s ARG 37 Ca 0.50 -0.39 -0.30 0.00 -0.47 0.00 0.00 55.73 55.07 1k9s s ARG 37 Cb -0.33 -0.82 -0.06 0.00 -0.57 0.00 0.00 34.95 33.17 1k9s s ARG 37 CO 0.43 0.22 1.35 -2.00 -1.08 0.00 0.00 175.30 174.22 1k9s s GLU 38 N -0.29 4.32 0.00 3.89 2.12 -1.26 -1.70 118.70 125.77 1k9s s GLU 38 Ca 0.04 1.93 0.07 0.00 0.36 0.00 0.00 54.97 57.36 1k9s s GLU 38 Cb -0.04 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1k9s s GLU 38 CO -0.00 -0.50 0.38 1.33 -0.54 0.00 0.00 175.26 175.93 1k9s n VAL 39 N 4.43 0.00 -3.69 3.70 0.24 0.63 -4.96 118.33 118.69 1k9s n VAL 39 Ca 0.12 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 1k9s n VAL 39 Cb 0.44 1.04 -0.09 0.00 -1.47 0.00 0.00 33.84 33.76 1k9s n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1k9s s ASN 40 N -1.37 -0.48 0.00 -1.34 2.47 -1.11 -4.32 114.94 108.79 1k9s s ASN 40 Ca 0.04 0.80 0.00 0.00 0.42 0.00 0.00 52.86 54.12 1k9s s ASN 40 Cb 0.05 0.83 0.00 0.00 -1.45 0.00 0.00 41.25 40.68 1k9s s ASN 40 CO 0.22 -0.29 0.31 -0.46 -3.72 0.00 0.00 177.10 173.16 1k9s n ASN 41 N 2.24 0.00 -4.72 -4.21 2.04 -1.26 -1.87 115.26 107.48 1k9s n ASN 41 Ca -0.16 -1.00 -0.43 0.00 -0.44 0.00 0.00 54.58 52.56 1k9s n ASN 41 Cb 0.56 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.79 1k9s n ASN 41 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1k9s n VAL 42 N 0.00 0.69 -1.44 3.53 0.31 -1.26 -0.73 118.33 119.43 1k9s n VAL 42 Ca 0.00 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.00 1k9s n VAL 42 Cb 0.48 -1.87 -0.07 0.00 -0.91 0.00 0.00 33.84 31.47 1k9s n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1k9s n ARG 43 N 2.67 -1.59 -0.99 5.55 1.74 -1.26 -1.45 116.66 121.33 1k9s n ARG 43 Ca 0.11 1.03 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 1k9s n ARG 43 Cb 0.35 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 1k9s n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9s n GLY 44 N -0.04 0.30 3.34 -0.13 0.00 0.10 -4.92 105.19 103.85 1k9s n GLY 44 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1k9s n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1k9s n MET 45 N -1.31 3.33 -1.65 1.61 0.00 -0.53 -4.83 117.12 113.74 1k9s n MET 45 Ca 0.00 -3.57 -0.47 0.00 0.00 0.00 0.00 57.70 53.66 1k9s n MET 45 Cb 0.20 -3.15 -0.04 0.00 0.00 0.00 0.00 33.22 30.23 1k9s n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1k9s n LEU 46 N 6.05 2.77 -4.06 -0.89 4.77 -1.26 -4.43 117.00 119.94 1k9s n LEU 46 Ca 0.41 1.11 -0.19 0.00 -0.03 0.00 0.00 56.01 57.31 1k9s n LEU 46 Cb 0.42 -1.38 -0.14 0.00 -2.33 0.00 0.00 43.42 39.99 1k9s n LEU 46 CO 0.71 -0.51 -0.44 -0.83 -1.33 0.00 0.00 177.39 174.98 1k9s s GLY 47 N 0.65 0.55 0.08 -0.72 0.00 -0.78 -2.45 107.32 104.65 1k9s s GLY 47 Ca 0.77 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 44.98 1k9s s GLY 47 CO 0.43 -0.47 -0.07 -1.36 0.00 0.00 0.00 173.10 171.63 1k9s s PHE 48 N -0.40 0.80 -0.03 1.90 0.40 0.11 -0.27 117.98 120.48 1k9s s PHE 48 Ca 0.03 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.56 1k9s s PHE 48 Cb -0.05 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 43.02 1k9s s PHE 48 CO -0.00 -0.15 -0.04 0.99 0.70 0.00 0.00 175.22 176.72 1k9s s THR 49 N -3.02 0.45 0.00 0.64 2.01 -0.69 -0.80 115.64 114.23 1k9s s THR 49 Ca 0.05 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1k9s s THR 49 Cb 0.01 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1k9s s THR 49 CO -0.04 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1k9s n GLY 50 N 3.74 3.35 3.24 4.40 0.00 -0.35 -1.31 105.19 118.26 1k9s n GLY 50 Ca -0.23 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1k9s n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k9s s THR 51 N -2.32 1.34 -0.18 2.61 -4.23 -0.69 -1.22 115.64 110.95 1k9s s THR 51 Ca 0.00 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 1k9s s THR 51 Cb 0.00 -1.52 0.05 0.00 1.34 0.00 0.00 72.50 72.37 1k9s s THR 51 CO 0.00 -0.40 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.20 1k9s s TYR 52 N -2.09 1.44 -1.41 3.99 5.04 0.60 -0.57 117.35 124.35 1k9s s TYR 52 Ca 0.09 -1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 53.65 1k9s s TYR 52 Cb -0.05 -1.19 0.03 0.00 0.35 0.00 0.00 41.96 41.10 1k9s s TYR 52 CO 0.03 -0.61 0.68 1.63 -1.34 0.00 0.00 175.55 175.94 1k9s n LYS 53 N 4.94 -4.43 0.00 4.97 5.02 -1.26 -0.85 118.16 126.55 1k9s n LYS 53 Ca -0.10 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1k9s n LYS 53 Cb 0.47 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1k9s n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k9s n GLY 54 N -1.71 2.89 3.69 0.72 0.00 -1.26 -5.00 105.19 104.52 1k9s n GLY 54 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1k9s n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9s s ARG 55 N -0.05 4.27 0.05 1.61 3.00 -0.03 -5.00 118.95 122.80 1k9s s ARG 55 Ca 0.00 0.46 -0.31 0.00 -1.00 0.00 0.00 55.73 54.88 1k9s s ARG 55 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 34.95 31.38 1k9s s ARG 55 CO 0.00 0.00 1.50 0.21 0.00 0.00 0.00 175.30 177.01 1k9s s LYS 56 N 1.13 4.25 0.02 5.12 2.20 -1.26 -0.29 119.74 130.91 1k9s s LYS 56 Ca 0.26 2.13 -0.06 0.00 -0.36 0.00 0.00 55.97 57.94 1k9s s LYS 56 Cb -0.15 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1k9s s LYS 56 CO 0.10 -0.62 0.11 0.96 -0.36 0.00 0.00 175.35 175.54 1k9s s ILE 57 N 2.28 0.10 0.24 5.43 -4.36 -0.36 -4.74 121.20 119.80 1k9s s ILE 57 Ca 0.68 -0.86 0.12 0.00 -0.26 0.00 0.00 60.65 60.32 1k9s s ILE 57 Cb -0.36 -0.60 -0.05 0.00 1.25 0.00 0.00 42.46 42.71 1k9s s ILE 57 CO 0.29 -0.47 -0.20 -0.44 0.24 0.00 0.00 174.94 174.35 1k9s s SER 58 N -1.69 3.59 -0.05 4.36 0.01 -1.02 -1.21 113.70 117.69 1k9s s SER 58 Ca -0.11 -0.93 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 1k9s s SER 58 Cb -0.05 -0.32 0.03 0.00 0.21 0.00 0.00 66.02 65.89 1k9s s SER 58 CO -0.01 0.07 0.12 0.54 0.41 0.00 0.00 173.24 174.37 1k9s s VAL 59 N -2.14 -0.04 -0.13 3.43 0.11 0.02 -0.65 120.40 121.00 1k9s s VAL 59 Ca 0.26 0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 59.23 1k9s s VAL 59 Cb -0.06 -0.19 0.05 0.00 -1.53 0.00 0.00 36.38 34.65 1k9s s VAL 59 CO 0.13 0.05 0.53 -0.32 -3.33 0.00 0.00 175.10 172.17 1k9s s MET 60 N 0.82 0.74 0.60 1.54 1.75 -0.32 0.05 119.30 124.48 1k9s s MET 60 Ca -0.06 0.46 -0.16 0.00 -1.25 0.00 0.00 55.69 54.68 1k9s s MET 60 Cb -0.08 0.35 -0.03 0.00 2.84 0.00 0.00 34.83 37.91 1k9s s MET 60 CO -0.04 -0.16 1.08 0.20 -0.65 0.00 0.00 175.02 175.46 1k9s s GLY 61 N -0.37 2.21 0.00 2.11 0.00 -1.03 -3.52 107.32 106.72 1k9s s GLY 61 Ca -0.05 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1k9s s GLY 61 CO 0.04 0.83 0.54 -2.39 0.00 0.00 0.00 173.10 172.11 1k9s n HIS 62 N -2.01 0.00 -0.63 1.90 1.44 -0.37 -4.89 115.22 110.66 1k9s n HIS 62 Ca 0.10 -0.05 0.03 0.00 -2.01 0.00 0.00 57.72 55.79 1k9s n HIS 62 Cb 0.52 -0.01 -0.01 0.00 0.12 0.00 0.00 29.99 30.62 1k9s n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1k9s n GLY 63 N -0.05 -2.17 3.78 -1.39 0.00 -0.59 -2.80 105.19 101.96 1k9s n GLY 63 Ca 0.00 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1k9s n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k9s s MET 64 N -1.11 3.94 0.00 1.61 1.00 -1.26 -4.63 119.30 118.84 1k9s s MET 64 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 55.69 55.50 1k9s s MET 64 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 34.83 31.49 1k9s s MET 64 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 175.02 175.89 1k9s n GLY 65 N 3.02 1.83 0.24 -0.03 0.00 -1.25 -4.41 105.19 104.59 1k9s n GLY 65 Ca -0.17 -1.74 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 1k9s n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k9s h ILE 66 N 0.00 0.87 -0.84 -0.61 2.04 -1.71 -2.03 117.51 115.23 1k9s h ILE 66 Ca 0.00 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1k9s h ILE 66 Cb 0.00 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1k9s h ILE 66 CO 0.00 0.09 0.55 -0.65 0.00 0.00 0.00 178.15 178.15 1k9s h PRO 67 N 0.51 1.09 0.02 2.37 0.11 -1.90 -0.58 132.00 133.61 1k9s h PRO 67 Ca 0.29 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1k9s h PRO 67 Cb 0.28 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1k9s h PRO 67 CO -0.24 0.72 -0.01 1.03 -0.21 0.00 0.00 178.00 179.29 1k9s h SER 68 N 1.12 -0.02 0.80 -2.05 0.87 -1.68 -3.09 113.55 109.50 1k9s h SER 68 Ca 0.32 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1k9s h SER 68 Cb -0.10 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1k9s h SER 68 CO -0.08 0.29 -0.25 0.00 -0.53 0.00 0.00 176.83 176.26 1k9s h SER 70 N 0.00 0.53 0.48 0.00 0.02 -1.08 -0.78 113.55 112.73 1k9s h SER 70 Ca -0.00 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1k9s h SER 70 Cb 0.72 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1k9s h SER 70 CO 0.03 0.76 -0.23 0.40 -1.14 0.00 0.00 176.83 176.65 1k9s h ILE 71 N 0.47 0.48 -0.48 3.27 2.04 -1.39 -2.06 117.51 119.83 1k9s h ILE 71 Ca 0.07 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1k9s h ILE 71 Cb 0.66 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1k9s h ILE 71 CO 0.05 0.05 0.20 1.88 0.00 0.00 0.00 178.15 180.33 1k9s h TYR 72 N -0.84 0.73 -0.54 1.37 0.05 -1.44 -2.09 116.97 114.21 1k9s h TYR 72 Ca -0.07 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.55 1k9s h TYR 72 Cb 0.58 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1k9s h TYR 72 CO -0.01 0.60 -0.10 1.79 -1.05 0.00 0.00 178.16 179.40 1k9s h THR 73 N 0.64 1.27 -0.29 -2.88 1.35 -1.22 -1.64 112.91 110.13 1k9s h THR 73 Ca 0.16 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1k9s h THR 73 Cb 0.18 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1k9s h THR 73 CO -0.01 0.44 0.18 0.50 -0.25 0.00 0.00 175.52 176.38 1k9s h LYS 74 N 0.91 0.39 -0.70 4.72 3.11 -1.25 -1.95 116.57 121.79 1k9s h LYS 74 Ca 0.14 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.90 1k9s h LYS 74 Cb 0.67 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.78 1k9s h LYS 74 CO 0.05 0.29 0.23 0.93 -2.81 0.00 0.00 179.45 178.13 1k9s h GLU 75 N 0.38 1.08 -0.57 1.90 5.08 -1.25 -1.22 114.58 119.98 1k9s h GLU 75 Ca 0.10 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1k9s h GLU 75 Cb -0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1k9s h GLU 75 CO -0.02 0.92 0.35 -0.07 -1.00 0.00 0.00 179.01 179.19 1k9s h LEU 76 N 1.02 0.68 0.01 1.33 3.38 -1.14 -1.11 115.31 119.48 1k9s h LEU 76 Ca 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1k9s h LEU 76 Cb 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1k9s h LEU 76 CO -0.01 0.53 -0.01 0.40 0.09 0.00 0.00 178.44 179.45 1k9s h ILE 77 N 0.77 1.31 0.00 1.22 2.04 -1.11 -1.87 117.51 119.87 1k9s h ILE 77 Ca 0.20 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.97 1k9s h ILE 77 Cb -0.03 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1k9s h ILE 77 CO -0.04 0.25 -0.61 0.71 0.00 0.00 0.00 178.15 178.46 1k9s h THR 78 N -0.43 0.88 -0.00 -0.27 1.35 -1.23 -3.26 112.91 109.94 1k9s h THR 78 Ca -0.00 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1k9s h THR 78 Cb 0.42 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1k9s h THR 78 CO 0.00 0.50 -0.17 0.47 -0.25 0.00 0.00 175.52 176.07 1k9s n ASP 79 N -3.20 0.29 0.00 5.36 9.92 -0.42 -4.68 116.55 123.82 1k9s n ASP 79 Ca 0.01 -0.65 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 1k9s n ASP 79 Cb 0.75 0.91 0.00 0.00 -0.64 0.00 0.00 41.12 42.14 1k9s n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1k9s n PHE 80 N -0.97 0.00 -1.90 1.24 3.72 -0.77 -4.58 117.46 114.20 1k9s n PHE 80 Ca 0.01 -0.29 -0.17 0.00 -0.05 0.00 0.00 57.45 56.95 1k9s n PHE 80 Cb 0.07 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.54 1k9s n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k9s n GLY 81 N -0.29 0.69 3.73 1.37 0.00 -1.06 -4.64 105.19 104.99 1k9s n GLY 81 Ca 0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1k9s n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9s s VAL 82 N -2.74 3.42 -0.20 1.61 1.01 -0.83 -4.79 120.40 117.89 1k9s s VAL 82 Ca 0.00 1.14 0.10 0.00 0.00 0.00 0.00 61.98 63.21 1k9s s VAL 82 Cb 0.00 -3.73 -0.19 0.00 0.00 0.00 0.00 36.38 32.47 1k9s s VAL 82 CO 0.00 0.15 -0.05 0.29 0.00 0.00 0.00 175.10 175.49 1k9s n LYS 83 N 2.93 0.87 -4.43 2.72 5.02 -0.36 -4.48 118.16 120.44 1k9s n LYS 83 Ca 0.07 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.19 1k9s n LYS 83 Cb 0.44 -1.45 -0.16 0.00 -0.02 0.00 0.00 35.03 33.83 1k9s n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k9s s LYS 84 N -2.44 1.14 -0.12 1.97 1.02 -0.87 -1.60 119.74 118.84 1k9s s LYS 84 Ca -0.18 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.51 1k9s s LYS 84 Cb 0.06 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.35 1k9s s LYS 84 CO 0.64 0.08 -0.20 0.42 -0.92 0.00 0.00 175.35 175.37 1k9s s ILE 85 N 0.37 1.85 -0.30 2.17 1.01 -0.19 -1.64 121.20 124.46 1k9s s ILE 85 Ca -0.07 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1k9s s ILE 85 Cb -0.11 -1.65 0.06 0.00 0.01 0.00 0.00 42.46 40.77 1k9s s ILE 85 CO 0.01 0.51 -0.02 -0.63 0.00 0.00 0.00 174.94 174.82 1k9s s ILE 86 N 0.80 2.78 0.02 2.92 1.01 -0.23 -1.55 121.20 126.96 1k9s s ILE 86 Ca -0.09 -1.51 -0.28 0.00 0.00 0.00 0.00 60.65 58.78 1k9s s ILE 86 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1k9s s ILE 86 CO -0.00 -0.13 0.88 -0.60 0.00 0.00 0.00 174.94 175.09 1k9s s ARG 87 N 1.20 4.56 -0.39 2.79 3.52 0.48 0.28 118.95 131.39 1k9s s ARG 87 Ca -0.05 1.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.84 1k9s s ARG 87 Cb -0.20 -3.42 0.11 0.00 -1.56 0.00 0.00 34.95 29.88 1k9s s ARG 87 CO -0.02 0.10 0.13 0.14 -0.81 0.00 0.00 175.30 174.84 1k9s s VAL 88 N 0.52 2.05 0.00 7.11 -7.23 -0.69 -0.63 120.40 121.53 1k9s s VAL 88 Ca 0.46 -2.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1k9s s VAL 88 Cb -0.21 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1k9s s VAL 88 CO 0.26 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 1k9s n GLY 89 N 3.97 7.20 3.44 2.32 0.00 0.08 -4.05 105.19 118.15 1k9s n GLY 89 Ca 0.04 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.85 1k9s n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9s s SER 90 N 0.77 2.91 0.13 1.61 1.04 -1.26 -0.92 113.70 117.98 1k9s s SER 90 Ca 0.00 -1.19 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 1k9s s SER 90 Cb 0.00 -0.20 0.08 0.00 0.10 0.00 0.00 66.02 66.00 1k9s s SER 90 CO 0.00 -0.31 0.65 0.00 0.98 0.00 0.00 173.24 174.56 1k9s s GLY 92 N -2.71 2.21 0.06 0.00 0.00 -0.26 -0.46 107.32 106.16 1k9s s GLY 92 Ca 0.02 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.09 1k9s s GLY 92 CO -0.12 -0.54 0.05 0.00 0.00 0.00 0.00 173.10 172.50 1k9s s ALA 93 N -1.35 3.48 -0.01 3.20 0.00 -0.35 0.13 121.76 126.86 1k9s s ALA 93 Ca 0.29 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1k9s s ALA 93 Cb -0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1k9s s ALA 93 CO 0.18 0.72 0.06 1.33 0.00 0.00 0.00 175.76 178.05 1k9s n VAL 94 N 0.72 0.05 -2.54 0.00 0.24 -1.26 -0.54 118.33 114.99 1k9s n VAL 94 Ca -0.10 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.34 61.70 1k9s n VAL 94 Cb 0.52 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 1k9s n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1k9s s LEU 95 N -3.45 4.52 0.47 1.34 1.43 -1.26 -4.82 118.68 116.91 1k9s s LEU 95 Ca -0.01 2.09 0.15 0.00 -1.03 0.00 0.00 54.13 55.32 1k9s s LEU 95 Cb 0.02 -3.61 1.13 0.00 0.03 0.00 0.00 46.19 43.76 1k9s s LEU 95 CO 0.13 -0.16 2.06 1.55 0.23 0.00 0.00 176.35 180.16 1k9s h PRO 96 N 4.83 0.24 -0.26 1.29 0.13 -1.99 -2.54 132.00 133.70 1k9s h PRO 96 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k9s h PRO 96 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1k9s h PRO 96 CO 0.71 0.16 0.00 0.72 -0.23 0.00 0.00 178.00 179.36 1k9s n HIS 97 N -4.48 0.32 -3.40 1.56 8.25 -1.26 -4.81 115.22 111.40 1k9s n HIS 97 Ca 0.04 -0.16 -0.38 0.00 -0.26 0.00 0.00 57.72 56.96 1k9s n HIS 97 Cb 0.25 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 1k9s n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k9s s VAL 98 N -1.68 5.22 0.32 1.59 1.01 -0.96 -5.07 120.40 120.84 1k9s s VAL 98 Ca 0.35 0.74 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1k9s s VAL 98 Cb 0.20 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1k9s s VAL 98 CO 0.29 0.31 0.16 -0.54 0.00 0.00 0.00 175.10 175.31 1k9s s LYS 99 N 0.90 2.50 0.32 2.72 -0.14 -1.26 -4.87 119.74 119.91 1k9s s LYS 99 Ca 0.20 -1.42 -0.29 0.00 -1.36 0.00 0.00 55.97 53.11 1k9s s LYS 99 Cb -0.14 -2.28 -0.12 0.00 -1.68 0.00 0.00 37.83 33.60 1k9s s LYS 99 CO 0.08 0.18 1.38 -0.11 -0.76 0.00 0.00 175.35 176.11 1k9s n LEU 100 N -1.17 3.70 0.00 3.17 7.94 -1.26 -1.72 117.00 127.66 1k9s n LEU 100 Ca -0.04 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1k9s n LEU 100 Cb 0.60 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1k9s n LEU 100 CO 0.42 -0.33 0.00 0.54 -1.11 0.00 0.00 177.39 176.92 1k9s n ARG 101 N 1.09 -0.27 -2.05 1.96 1.74 0.98 -4.94 116.66 115.17 1k9s n ARG 101 Ca 0.06 0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.87 1k9s n ARG 101 Cb 0.35 -3.34 0.02 0.00 -1.02 0.00 0.00 32.46 28.47 1k9s n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1k9s s ASP 102 N -2.39 5.57 -0.19 0.55 1.01 -0.70 -4.63 116.67 115.88 1k9s s ASP 102 Ca 0.00 2.00 -0.08 0.00 0.71 0.00 0.00 52.55 55.18 1k9s s ASP 102 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1k9s s ASP 102 CO 0.00 -1.32 0.08 -0.69 0.21 0.00 0.00 175.17 173.45 1k9s s VAL 103 N -2.16 4.87 0.05 -1.27 1.01 -1.26 -1.19 120.40 120.45 1k9s s VAL 103 Ca 0.68 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.74 1k9s s VAL 103 Cb -0.20 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1k9s s VAL 103 CO 0.34 0.44 -0.23 0.68 0.00 0.00 0.00 175.10 176.33 1k9s s VAL 104 N 0.49 1.90 -0.19 2.92 -7.23 0.34 -2.51 120.40 116.11 1k9s s VAL 104 Ca 0.04 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1k9s s VAL 104 Cb -0.12 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.17 1k9s s VAL 104 CO 0.00 0.25 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.31 1k9s s ILE 105 N -0.84 2.94 -0.78 -0.62 1.01 0.77 -0.88 121.20 122.81 1k9s s ILE 105 Ca 0.10 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1k9s s ILE 105 Cb -0.09 -2.30 0.09 0.00 0.01 0.00 0.00 42.46 40.17 1k9s s ILE 105 CO 0.02 0.47 1.06 -0.83 0.00 0.00 0.00 174.94 175.66 1k9s s GLY 106 N 1.23 1.56 0.44 6.18 0.00 -0.64 -1.14 107.32 114.96 1k9s s GLY 106 Ca 0.03 -2.20 0.24 0.00 0.00 0.00 0.00 44.72 42.78 1k9s s GLY 106 CO -0.04 2.09 1.84 0.00 0.00 0.00 0.00 173.10 176.98 1k9s h MET 107 N 9.32 0.00 -4.38 2.90 -0.00 -0.85 -3.40 114.93 118.51 1k9s h MET 107 Ca -0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.43 1k9s h MET 107 Cb 1.05 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.50 1k9s h MET 107 CO 1.17 0.22 -0.62 0.20 -0.00 0.00 0.00 176.91 177.89 1k9s s GLY 108 N -4.28 0.96 -0.12 -3.00 0.00 -1.13 -1.20 107.32 98.54 1k9s s GLY 108 Ca 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.26 1k9s s GLY 108 CO 0.63 -1.32 0.18 0.00 0.00 0.00 0.00 173.10 172.60 1k9s s ALA 109 N -4.05 -0.18 0.80 3.20 0.00 -0.07 -1.43 121.76 120.04 1k9s s ALA 109 Ca 0.24 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 1k9s s ALA 109 Cb 0.07 -0.98 0.07 0.00 0.00 0.00 0.00 23.12 22.29 1k9s s ALA 109 CO 0.02 -0.78 1.13 0.00 0.00 0.00 0.00 175.76 176.13 1k9s s THR 111 N -3.35 0.00 -0.86 0.00 -1.32 -1.26 -0.11 115.64 108.73 1k9s s THR 111 Ca 0.61 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.21 1k9s s THR 111 Cb -0.13 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.23 1k9s s THR 111 CO 0.52 0.00 1.30 -0.90 -2.21 0.00 0.00 174.62 173.33 1k9s n ASP 112 N 0.16 3.16 -4.84 8.08 5.68 -1.18 -4.97 116.55 122.63 1k9s n ASP 112 Ca -0.14 -2.16 -0.31 0.00 -0.50 0.00 0.00 54.79 51.67 1k9s n ASP 112 Cb 0.61 -0.30 0.01 0.00 -1.14 0.00 0.00 41.12 40.31 1k9s n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1k9s s SER 113 N -1.13 6.00 0.00 -1.12 0.15 -1.26 -4.86 113.70 111.48 1k9s s SER 113 Ca 0.28 1.54 0.23 0.00 0.70 0.00 0.00 55.95 58.70 1k9s s SER 113 Cb 0.16 -2.49 0.11 0.00 -1.71 0.00 0.00 66.02 62.09 1k9s s SER 113 CO 0.16 -1.02 1.18 1.17 1.20 0.00 0.00 173.24 175.92 1k9s n LYS 114 N -2.61 1.60 -0.25 5.44 4.81 -1.26 -4.62 118.16 121.27 1k9s n LYS 114 Ca 0.07 -1.31 0.05 0.00 -0.87 0.00 0.00 58.31 56.24 1k9s n LYS 114 Cb 0.54 -1.47 0.29 0.00 0.02 0.00 0.00 35.03 34.40 1k9s n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1k9s h VAL 115 N 3.20 1.05 0.00 3.15 -1.51 -2.00 -1.54 116.25 118.60 1k9s h VAL 115 Ca 0.00 -0.31 -0.10 0.00 -1.23 0.00 0.00 66.70 65.05 1k9s h VAL 115 Cb 0.83 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1k9s h VAL 115 CO 0.00 0.17 -0.50 0.78 -1.23 0.00 0.00 177.57 176.79 1k9s h ASN 116 N 0.91 0.00 0.02 4.19 -0.26 -1.95 -2.44 115.58 116.05 1k9s h ASN 116 Ca 0.35 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.98 1k9s h ASN 116 Cb 0.22 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1k9s h ASN 116 CO -0.13 0.50 -0.37 0.03 -1.06 0.00 0.00 177.43 176.40 1k9s h ARG 117 N 0.00 0.47 -0.51 0.81 3.08 -1.63 0.23 114.38 116.83 1k9s h ARG 117 Ca -0.00 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.74 1k9s h ARG 117 Cb 1.29 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 1k9s h ARG 117 CO 0.06 0.77 -0.02 0.82 -1.07 0.00 0.00 179.97 180.53 1k9s h ILE 118 N 0.40 1.25 0.01 2.04 2.04 -1.09 0.19 117.51 122.35 1k9s h ILE 118 Ca 0.04 -1.09 -0.20 0.00 1.00 0.00 0.00 64.86 64.61 1k9s h ILE 118 Cb 0.83 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1k9s h ILE 118 CO 0.07 0.38 -0.89 0.03 0.00 0.00 0.00 178.15 177.74 1k9s h ARG 119 N 0.81 0.20 -0.79 2.37 3.08 -0.98 -3.38 114.38 115.68 1k9s h ARG 119 Ca 0.15 -0.22 -0.54 0.00 0.07 0.00 0.00 59.98 59.43 1k9s h ARG 119 Cb 0.51 0.07 -0.33 0.00 0.08 0.00 0.00 29.97 30.30 1k9s h ARG 119 CO 0.03 0.97 -0.04 0.34 -1.07 0.00 0.00 179.97 180.20 1k9s n PHE 120 N -3.65 2.70 -3.83 3.04 7.35 0.78 -4.94 117.46 118.93 1k9s n PHE 120 Ca -0.04 -2.43 -0.30 0.00 -0.76 0.00 0.00 57.45 53.92 1k9s n PHE 120 Cb 0.82 -0.80 0.00 0.00 0.35 0.00 0.00 39.48 39.85 1k9s n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1k9s n LYS 121 N -0.86 -4.24 -1.54 -4.13 4.76 -1.11 -1.46 118.16 109.58 1k9s n LYS 121 Ca 0.50 0.51 -0.16 0.00 -2.87 0.00 0.00 58.31 56.29 1k9s n LYS 121 Cb 0.88 -5.31 -0.06 0.00 -1.84 0.00 0.00 35.03 28.70 1k9s n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1k9s n ASP 122 N -2.62 -4.92 -3.52 4.39 2.03 0.65 -5.01 116.55 107.56 1k9s n ASP 122 Ca 0.03 0.36 -0.11 0.00 0.52 0.00 0.00 54.79 55.60 1k9s n ASP 122 Cb 0.52 -3.85 0.03 0.00 -0.72 0.00 0.00 41.12 37.10 1k9s n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1k9s n HIS 123 N -2.66 -2.29 -3.12 -0.67 8.25 -0.53 -5.01 115.22 109.18 1k9s n HIS 123 Ca -0.16 -1.12 -0.43 0.00 -0.26 0.00 0.00 57.72 55.74 1k9s n HIS 123 Cb 0.54 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 1k9s n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k9s s ASP 124 N -2.83 6.30 -0.21 0.41 1.11 -1.26 -4.59 116.67 115.60 1k9s s ASP 124 Ca 0.28 -0.44 -0.16 0.00 0.18 0.00 0.00 52.55 52.41 1k9s s ASP 124 Cb -0.02 -2.31 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 1k9s s ASP 124 CO 0.18 -0.80 0.41 0.12 1.18 0.00 0.00 175.17 176.26 1k9s s PHE 125 N 2.79 3.37 -0.60 4.23 5.36 -1.26 -5.02 117.98 126.84 1k9s s PHE 125 Ca 0.21 0.62 -0.26 0.00 -0.96 0.00 0.00 56.93 56.53 1k9s s PHE 125 Cb -0.15 -2.54 0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1k9s s PHE 125 CO 0.18 -0.03 1.12 0.00 -1.46 0.00 0.00 175.22 175.03 1k9s s ALA 126 N 1.38 3.01 -0.52 11.12 0.00 -1.26 -4.97 121.76 130.53 1k9s s ALA 126 Ca 0.19 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.77 1k9s s ALA 126 Cb -0.15 -3.98 0.02 0.00 0.00 0.00 0.00 23.12 19.02 1k9s s ALA 126 CO 0.08 -2.69 1.31 0.00 0.00 0.00 0.00 175.76 174.45 1k9s s ALA 127 N 4.74 2.97 0.21 0.00 0.00 -1.26 -4.98 121.76 123.43 1k9s s ALA 127 Ca 0.37 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.84 1k9s s ALA 127 Cb -0.10 -4.02 -0.05 0.00 0.00 0.00 0.00 23.12 18.96 1k9s s ALA 127 CO 0.21 -2.63 -0.16 0.96 0.00 0.00 0.00 175.76 174.14 1k9s s ILE 128 N 5.35 1.90 0.78 0.00 -4.36 -1.26 -0.89 121.20 122.72 1k9s s ILE 128 Ca 0.51 -2.18 -0.10 0.00 -0.26 0.00 0.00 60.65 58.63 1k9s s ILE 128 Cb -0.10 -2.05 0.09 0.00 1.25 0.00 0.00 42.46 41.66 1k9s s ILE 128 CO 0.28 -0.49 1.11 0.00 0.24 0.00 0.00 174.94 176.09 1k9s s ALA 129 N -2.66 2.88 0.01 2.27 0.00 -0.34 -4.84 121.76 119.08 1k9s s ALA 129 Ca 0.22 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1k9s s ALA 129 Cb -0.03 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1k9s s ALA 129 CO 0.08 -1.60 1.04 0.34 0.00 0.00 0.00 175.76 175.63 1k9s s ASP 130 N -4.60 7.28 0.17 0.00 2.15 -0.67 -4.96 116.67 116.05 1k9s s ASP 130 Ca 0.63 1.75 -0.14 0.00 0.43 0.00 0.00 52.55 55.23 1k9s s ASP 130 Cb -0.10 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.06 1k9s s ASP 130 CO 0.47 -0.33 1.78 0.15 -0.17 0.00 0.00 175.17 177.08 1k9s h PHE 131 N 6.82 0.44 -0.87 -5.34 3.57 -1.96 -2.20 116.94 117.41 1k9s h PHE 131 Ca -0.41 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 1k9s h PHE 131 Cb 1.22 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1k9s h PHE 131 CO 0.68 0.22 0.53 -0.44 -2.23 0.00 0.00 178.31 177.07 1k9s h ASP 132 N 0.48 1.04 -0.60 0.41 3.32 -1.99 -0.94 116.42 118.14 1k9s h ASP 132 Ca 0.21 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1k9s h ASP 132 Cb 0.11 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1k9s h ASP 132 CO -0.14 0.79 0.11 0.24 -1.72 0.00 0.00 179.24 178.52 1k9s h MET 133 N 1.20 1.01 -0.26 3.56 2.86 -1.86 0.31 114.93 121.75 1k9s h MET 133 Ca 0.31 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1k9s h MET 133 Cb -0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1k9s h MET 133 CO -0.06 0.92 0.11 0.28 1.06 0.00 0.00 176.91 179.23 1k9s h VAL 134 N 0.95 1.16 -0.72 -2.22 2.07 -0.79 -1.47 116.25 115.24 1k9s h VAL 134 Ca 0.19 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1k9s h VAL 134 Cb 0.40 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1k9s h VAL 134 CO 0.01 0.17 0.37 -0.09 0.02 0.00 0.00 177.57 178.05 1k9s h ARG 135 N 0.28 1.02 -0.70 1.57 2.43 -0.92 -0.28 114.38 117.78 1k9s h ARG 135 Ca 0.09 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1k9s h ARG 135 Cb 0.16 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1k9s h ARG 135 CO -0.01 0.78 0.33 -0.91 -1.51 0.00 0.00 179.97 178.65 1k9s h ASN 136 N 1.00 0.90 -0.35 -3.80 2.35 -0.76 -0.35 115.58 114.58 1k9s h ASN 136 Ca 0.25 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1k9s h ASN 136 Cb 0.08 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1k9s h ASN 136 CO -0.04 0.77 -0.21 0.00 -1.65 0.00 0.00 177.43 176.30 1k9s h ALA 137 N 1.37 0.50 -0.43 -0.83 0.00 -0.74 -0.37 119.26 118.76 1k9s h ALA 137 Ca 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1k9s h ALA 137 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1k9s h ALA 137 CO -0.03 0.46 0.22 0.28 0.00 0.00 0.00 179.25 180.18 1k9s h VAL 138 N 0.55 1.17 -0.56 0.00 2.07 -0.71 -0.96 116.25 117.81 1k9s h VAL 138 Ca 0.07 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1k9s h VAL 138 Cb 0.77 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1k9s h VAL 138 CO 0.06 0.18 -0.02 0.44 0.02 0.00 0.00 177.57 178.25 1k9s h ASP 139 N 0.55 0.98 -0.64 0.57 3.32 -0.97 -1.88 116.42 118.36 1k9s h ASP 139 Ca 0.15 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1k9s h ASP 139 Cb 0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1k9s h ASP 139 CO -0.02 1.06 0.19 0.00 -1.72 0.00 0.00 179.24 178.75 1k9s h ALA 140 N 0.96 0.83 -0.87 3.45 0.00 -0.92 -1.50 119.26 121.21 1k9s h ALA 140 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1k9s h ALA 140 Cb 0.56 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1k9s h ALA 140 CO 0.03 0.51 0.47 0.00 0.00 0.00 0.00 179.25 180.26 1k9s h ALA 141 N 1.07 1.11 -0.34 0.00 0.00 -0.98 -1.51 119.26 118.61 1k9s h ALA 141 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1k9s h ALA 141 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1k9s h ALA 141 CO -0.01 0.63 0.09 -0.22 0.00 0.00 0.00 179.25 179.75 1k9s h LYS 142 N 1.21 0.54 -0.13 0.00 3.11 -1.08 0.20 116.57 120.42 1k9s h LYS 142 Ca 0.30 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.99 1k9s h LYS 142 Cb 0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 1k9s h LYS 142 CO -0.05 0.58 -0.07 0.00 -2.81 0.00 0.00 179.45 177.10 1k9s h ALA 143 N 0.93 1.63 -0.01 5.00 0.00 -0.95 -1.56 119.26 124.31 1k9s h ALA 143 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k9s h ALA 143 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1k9s h ALA 143 CO -0.00 0.27 -0.19 1.28 0.00 0.00 0.00 179.25 180.61 1k9s n LEU 144 N -4.34 0.76 -1.02 0.00 4.77 -0.60 -4.93 117.00 111.64 1k9s n LEU 144 Ca -0.01 -0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1k9s n LEU 144 Cb 0.21 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1k9s n LEU 144 CO 0.37 0.14 -0.12 0.61 -1.33 0.00 0.00 177.39 177.06 1k9s n GLY 145 N 1.32 0.16 3.50 -0.72 0.00 -0.56 -5.01 105.19 103.87 1k9s n GLY 145 Ca 0.13 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1k9s n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9s s ILE 146 N -2.45 4.04 0.43 -0.61 1.01 0.61 -5.02 121.20 119.21 1k9s s ILE 146 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.12 1k9s s ILE 146 Cb 0.00 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.60 1k9s s ILE 146 CO 0.00 0.47 1.14 -1.81 0.00 0.00 0.00 174.94 174.74 1k9s s ASP 147 N 0.54 6.38 -0.24 3.58 1.01 -1.26 -4.29 116.67 122.38 1k9s s ASP 147 Ca -0.02 2.25 -0.13 0.00 0.71 0.00 0.00 52.55 55.36 1k9s s ASP 147 Cb -0.14 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.26 1k9s s ASP 147 CO 0.02 -0.77 0.58 0.00 0.21 0.00 0.00 175.17 175.22 1k9s s ALA 148 N -1.54 -1.58 0.01 5.23 0.00 -1.26 -4.28 121.76 118.33 1k9s s ALA 148 Ca 0.61 2.09 -0.07 0.00 0.00 0.00 0.00 51.96 54.59 1k9s s ALA 148 Cb -0.27 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1k9s s ALA 148 CO 0.34 -0.37 0.28 1.03 0.00 0.00 0.00 175.76 177.04 1k9s s ARG 149 N 1.63 3.61 -0.12 0.00 0.52 -1.04 -4.94 118.95 118.60 1k9s s ARG 149 Ca -0.10 -0.03 -0.00 0.00 -0.52 0.00 0.00 55.73 55.08 1k9s s ARG 149 Cb -0.07 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.31 1k9s s ARG 149 CO -0.17 0.64 -0.12 0.08 0.02 0.00 0.00 175.30 175.75 1k9s s VAL 150 N -1.30 3.14 -0.51 3.52 1.01 -1.26 -0.16 120.40 124.84 1k9s s VAL 150 Ca 0.28 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1k9s s VAL 150 Cb -0.13 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1k9s s VAL 150 CO 0.16 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1k9s n GLY 151 N 3.36 -0.75 3.82 4.51 0.00 -0.29 -4.93 105.19 110.91 1k9s n GLY 151 Ca -0.18 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1k9s n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k9s s ASN 152 N -4.00 6.93 0.41 1.61 0.01 -1.26 -0.14 114.94 118.51 1k9s s ASN 152 Ca 0.00 1.10 0.08 0.00 -0.71 0.00 0.00 52.86 53.33 1k9s s ASN 152 Cb 0.00 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1k9s s ASN 152 CO 0.00 0.30 0.36 -0.76 -1.51 0.00 0.00 177.10 175.49 1k9s s LEU 153 N -1.07 3.38 -0.13 0.60 1.43 -0.51 -0.96 118.68 121.41 1k9s s LEU 153 Ca 0.26 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1k9s s LEU 153 Cb -0.18 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1k9s s LEU 153 CO 0.16 -0.64 -0.12 0.12 0.23 0.00 0.00 176.35 176.11 1k9s s PHE 154 N -2.48 1.85 -0.48 0.29 2.19 -0.12 -0.68 117.98 118.55 1k9s s PHE 154 Ca 0.47 -0.98 -0.16 0.00 0.33 0.00 0.00 56.93 56.60 1k9s s PHE 154 Cb -0.03 -1.42 0.08 0.00 -1.31 0.00 0.00 43.02 40.34 1k9s s PHE 154 CO 0.27 -0.58 0.42 -1.12 1.83 0.00 0.00 175.22 176.04 1k9s s SER 155 N 1.50 6.16 0.22 6.13 0.01 0.84 -0.72 113.70 127.84 1k9s s SER 155 Ca 0.03 -1.34 -0.09 0.00 1.31 0.00 0.00 55.95 55.86 1k9s s SER 155 Cb -0.13 -2.19 -0.07 0.00 0.21 0.00 0.00 66.02 63.84 1k9s s SER 155 CO -0.08 -0.68 0.53 0.00 0.41 0.00 0.00 173.24 173.42 1k9s s ALA 156 N 1.69 3.59 -0.05 1.44 0.00 0.43 -3.12 121.76 125.74 1k9s s ALA 156 Ca 0.04 -0.29 0.13 0.00 0.00 0.00 0.00 51.96 51.84 1k9s s ALA 156 Cb -0.24 -2.41 -0.19 0.00 0.00 0.00 0.00 23.12 20.27 1k9s s ALA 156 CO 0.07 0.52 0.82 -0.44 0.00 0.00 0.00 175.76 176.72 1k9s h ASP 157 N 2.61 0.00 -3.79 0.00 3.32 -1.89 -3.40 116.42 113.28 1k9s h ASP 157 Ca -0.47 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 55.90 1k9s h ASP 157 Cb 1.17 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 1k9s h ASP 157 CO 0.69 0.88 -0.72 -0.76 -1.72 0.00 0.00 179.24 177.61 1k9s s LEU 158 N -6.11 3.83 0.19 1.55 1.43 -1.26 -4.95 118.68 113.35 1k9s s LEU 158 Ca -0.03 -1.29 -0.12 0.00 -1.03 0.00 0.00 54.13 51.66 1k9s s LEU 158 Cb 0.08 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.72 1k9s s LEU 158 CO 0.82 -0.25 1.83 0.15 0.23 0.00 0.00 176.35 179.13 1k9s h PHE 159 N 7.97 0.85 -3.44 0.29 3.04 -1.97 -3.19 116.94 120.48 1k9s h PHE 159 Ca -0.21 -0.00 -0.80 0.00 3.98 0.00 0.00 57.97 60.94 1k9s h PHE 159 Cb 1.06 -0.28 -0.27 0.00 2.56 0.00 0.00 35.95 39.02 1k9s h PHE 159 CO 0.62 0.58 0.53 0.66 -2.02 0.00 0.00 178.31 178.68 1k9s n TYR 160 N -4.58 5.14 -2.59 0.41 4.01 -1.26 -5.03 117.16 113.26 1k9s n TYR 160 Ca 0.05 -3.83 -0.41 0.00 -0.16 0.00 0.00 57.90 53.55 1k9s n TYR 160 Cb 0.06 -1.72 -0.04 0.00 -0.31 0.00 0.00 39.34 37.32 1k9s n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1k9s s SER 161 N 1.26 7.36 0.00 7.72 0.15 -1.21 -4.93 113.70 124.05 1k9s s SER 161 Ca 0.32 2.01 0.30 0.00 0.70 0.00 0.00 55.95 59.28 1k9s s SER 161 Cb -0.09 -2.60 1.53 0.00 -1.71 0.00 0.00 66.02 63.15 1k9s s SER 161 CO -0.07 -0.14 2.03 -0.81 1.20 0.00 0.00 173.24 175.45 1k9s n PRO 162 N 2.33 0.86 -3.60 5.44 -0.04 -1.26 -4.48 135.00 134.25 1k9s n PRO 162 Ca 0.02 -0.17 -0.38 0.00 -0.04 0.00 0.00 63.50 62.93 1k9s n PRO 162 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1k9s n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1k9s s ASP 163 N -2.26 6.07 0.46 3.54 2.15 -1.26 -4.89 116.67 120.48 1k9s s ASP 163 Ca 0.37 -3.50 0.15 0.00 0.43 0.00 0.00 52.55 50.00 1k9s s ASP 163 Cb 0.21 -1.95 1.06 0.00 -0.30 0.00 0.00 42.92 41.93 1k9s s ASP 163 CO 0.42 -0.25 2.01 1.23 -0.17 0.00 0.00 175.17 178.41 1k9s h GLY 164 N 6.37 0.00 1.77 2.66 0.00 -2.03 -2.16 103.07 109.67 1k9s h GLY 164 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.49 1k9s h GLY 164 CO 0.84 0.00 0.10 -2.09 0.00 0.00 0.00 176.54 175.39 1k9s h GLU 165 N 0.00 0.07 -0.26 4.80 4.81 -1.98 -2.20 114.58 119.82 1k9s h GLU 165 Ca -0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1k9s h GLU 165 Cb 0.29 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1k9s h GLU 165 CO 0.02 0.04 0.18 1.98 -0.73 0.00 0.00 179.01 180.50 1k9s h MET 166 N 0.07 0.20 -0.36 1.92 4.05 -1.81 -1.36 114.93 117.64 1k9s h MET 166 Ca 0.06 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1k9s h MET 166 Cb 0.17 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1k9s h MET 166 CO -0.01 0.13 0.01 0.74 0.23 0.00 0.00 176.91 178.02 1k9s h PHE 167 N 0.21 0.57 -0.42 1.39 0.04 -1.57 -0.32 116.94 116.84 1k9s h PHE 167 Ca 0.11 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 1k9s h PHE 167 Cb 0.19 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1k9s h PHE 167 CO -0.00 0.55 -0.15 -0.44 -0.60 0.00 0.00 178.31 177.67 1k9s h ASP 168 N 0.53 0.77 -0.50 2.17 3.32 -1.38 -1.34 116.42 119.98 1k9s h ASP 168 Ca 0.12 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 1k9s h ASP 168 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1k9s h ASP 168 CO 0.01 0.92 -0.13 0.58 -1.72 0.00 0.00 179.24 178.90 1k9s h VAL 169 N 0.69 1.27 -0.75 -1.35 2.07 -1.22 -1.29 116.25 115.68 1k9s h VAL 169 Ca 0.11 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1k9s h VAL 169 Cb 0.64 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1k9s h VAL 169 CO 0.04 0.45 0.41 0.24 0.02 0.00 0.00 177.57 178.73 1k9s h MET 170 N 0.84 1.04 -0.19 1.57 2.86 -0.80 -1.47 114.93 118.79 1k9s h MET 170 Ca 0.13 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1k9s h MET 170 Cb 0.70 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1k9s h MET 170 CO 0.05 0.78 0.05 1.49 1.06 0.00 0.00 176.91 180.34 1k9s h GLU 171 N 1.03 0.30 -0.99 1.72 4.81 -1.07 -1.09 114.58 119.29 1k9s h GLU 171 Ca 0.26 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.52 1k9s h GLU 171 Cb 0.04 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.31 1k9s h GLU 171 CO -0.04 0.43 0.63 -0.22 -0.73 0.00 0.00 179.01 179.07 1k9s h LYS 172 N 0.11 1.03 -0.22 1.92 3.64 -0.98 -1.18 116.57 120.90 1k9s h LYS 172 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k9s h LYS 172 Cb 0.26 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1k9s h LYS 172 CO 0.00 0.68 0.00 0.66 -2.27 0.00 0.00 179.45 178.52 1k9s n TYR 173 N -4.58 0.29 -1.43 1.91 4.02 -0.58 -4.93 117.16 111.87 1k9s n TYR 173 Ca 0.17 -0.14 -0.05 0.00 -0.01 0.00 0.00 57.90 57.87 1k9s n TYR 173 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.58 1k9s n TYR 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1k9s n GLY 174 N 0.91 0.59 3.72 2.72 0.00 -0.45 -4.99 105.19 107.69 1k9s n GLY 174 Ca 0.10 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1k9s n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9s s ILE 175 N -2.21 2.27 0.03 -0.61 1.09 -0.46 -4.65 121.20 116.66 1k9s s ILE 175 Ca 0.00 0.19 -0.09 0.00 -1.10 0.00 0.00 60.65 59.65 1k9s s ILE 175 Cb 0.00 -3.12 -0.31 0.00 -1.06 0.00 0.00 42.46 37.96 1k9s s ILE 175 CO 0.00 0.02 0.98 -0.07 -0.10 0.00 0.00 174.94 175.77 1k9s h LEU 176 N 6.76 0.59 -7.26 2.97 3.38 -1.39 -3.41 115.31 116.94 1k9s h LEU 176 Ca -0.43 -0.69 -0.09 0.00 0.09 0.00 0.00 57.88 56.76 1k9s h LEU 176 Cb 1.20 -0.19 -0.20 0.00 0.09 0.00 0.00 40.66 41.56 1k9s h LEU 176 CO 0.94 1.55 -0.06 -0.83 0.09 0.00 0.00 178.44 180.12 1k9s s GLY 177 N -4.75 -0.36 -0.28 0.83 0.00 -1.26 -4.55 107.32 96.96 1k9s s GLY 177 Ca -0.08 0.87 -0.08 0.00 0.00 0.00 0.00 44.72 45.43 1k9s s GLY 177 CO 0.90 0.60 0.10 0.14 0.00 0.00 0.00 173.10 174.84 1k9s s VAL 178 N -1.08 4.34 0.00 1.40 1.01 0.12 -0.94 120.40 125.24 1k9s s VAL 178 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1k9s s VAL 178 Cb -0.03 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1k9s s VAL 178 CO 0.06 0.19 0.00 -1.84 0.00 0.00 0.00 175.10 173.51 1k9s n GLU 179 N 4.93 0.80 -0.41 2.72 -0.00 0.11 -1.11 120.64 127.68 1k9s n GLU 179 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.02 1k9s n GLU 179 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.95 1k9s n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1k9s n MET 180 N 0.00 0.17 0.00 3.44 2.81 -1.26 -0.42 117.12 121.86 1k9s n MET 180 Ca 0.00 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.74 1k9s n MET 180 Cb 0.00 -0.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 1k9s n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1k9s n GLU 181 N -0.17 0.56 -0.22 0.03 4.71 -1.26 -1.98 120.64 122.32 1k9s n GLU 181 Ca 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.15 1k9s n GLU 181 Cb 0.68 -0.47 0.05 0.00 -1.01 0.00 0.00 31.44 30.68 1k9s n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k9s h ALA 182 N 0.00 0.25 -0.37 0.62 0.00 -1.94 -0.11 119.26 117.70 1k9s h ALA 182 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1k9s h ALA 182 Cb 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1k9s h ALA 182 CO 0.00 -0.52 0.19 0.00 0.00 0.00 0.00 179.25 178.91 1k9s h ALA 183 N 1.40 1.63 -0.30 0.00 0.00 -1.83 -0.49 119.26 119.67 1k9s h ALA 183 Ca 0.29 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1k9s h ALA 183 Cb 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k9s h ALA 183 CO -0.68 0.31 -0.43 0.78 0.00 0.00 0.00 179.25 179.22 1k9s h GLY 184 N 0.61 0.89 1.09 0.00 0.00 -1.43 -1.79 103.07 102.45 1k9s h GLY 184 Ca 0.13 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.35 1k9s h GLY 184 CO -0.02 0.89 -0.18 -2.22 0.00 0.00 0.00 176.54 175.00 1k9s h ILE 185 N 0.59 1.27 -0.31 2.60 2.04 -0.65 -1.83 117.51 121.21 1k9s h ILE 185 Ca 0.03 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.49 1k9s h ILE 185 Cb 1.03 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1k9s h ILE 185 CO 0.10 0.46 -0.06 1.88 0.00 0.00 0.00 178.15 180.54 1k9s h TYR 186 N 0.83 0.53 -0.29 1.37 0.05 -1.10 -0.24 116.97 118.12 1k9s h TYR 186 Ca 0.11 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 1k9s h TYR 186 Cb 0.76 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1k9s h TYR 186 CO 0.05 0.56 0.01 0.78 -1.05 0.00 0.00 178.16 178.51 1k9s h GLY 187 N 0.87 0.55 0.99 3.88 0.00 -1.04 -1.98 103.07 106.34 1k9s h GLY 187 Ca 0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1k9s h GLY 187 CO 0.02 0.37 0.21 -2.08 0.00 0.00 0.00 176.54 175.05 1k9s h VAL 188 N 0.30 1.23 -0.82 4.60 2.07 -1.08 -0.68 116.25 121.88 1k9s h VAL 188 Ca 0.08 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1k9s h VAL 188 Cb 0.42 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1k9s h VAL 188 CO 0.01 0.29 0.49 0.00 0.02 0.00 0.00 177.57 178.38 1k9s h ALA 189 N 1.06 1.04 -0.29 1.67 0.00 -0.93 -0.61 119.26 121.21 1k9s h ALA 189 Ca 0.19 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1k9s h ALA 189 Cb 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1k9s h ALA 189 CO -0.01 0.51 -0.51 0.00 0.00 0.00 0.00 179.25 179.24 1k9s h ALA 190 N 1.26 0.56 -0.74 0.00 0.00 -1.19 0.80 119.26 119.96 1k9s h ALA 190 Ca 0.29 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1k9s h ALA 190 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1k9s h ALA 190 CO -0.05 0.68 0.29 1.49 0.00 0.00 0.00 179.25 181.65 1k9s h GLU 191 N 0.63 1.12 -0.42 0.00 4.81 -0.62 -3.23 114.58 116.86 1k9s h GLU 191 Ca 0.02 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1k9s h GLU 191 Cb 1.09 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1k9s h GLU 191 CO 0.11 0.92 0.00 1.19 -0.73 0.00 0.00 179.01 180.50 1k9s n PHE 192 N -4.32 0.56 -2.74 0.92 3.72 -0.28 -5.01 117.46 110.31 1k9s n PHE 192 Ca 0.06 -0.41 -0.06 0.00 -0.05 0.00 0.00 57.45 56.99 1k9s n PHE 192 Cb 0.19 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.74 1k9s n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k9s n GLY 193 N 0.98 0.53 1.44 1.37 0.00 -0.42 -4.99 105.19 104.11 1k9s n GLY 193 Ca 0.16 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1k9s n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9s n ALA 194 N -3.02 0.17 -2.38 4.61 0.00 0.14 -5.03 120.51 115.01 1k9s n ALA 194 Ca -0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1k9s n ALA 194 Cb 0.52 0.49 -0.16 0.00 0.00 0.00 0.00 19.45 20.30 1k9s n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1k9s s LYS 195 N -2.73 1.92 0.07 0.00 1.02 -0.63 -4.52 119.74 114.87 1k9s s LYS 195 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 1k9s s LYS 195 Cb -0.00 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1k9s s LYS 195 CO 0.00 0.50 0.02 0.00 -0.92 0.00 0.00 175.35 174.95 1k9s s ALA 196 N -0.54 0.43 -0.17 5.17 0.00 -1.26 -1.02 121.76 124.37 1k9s s ALA 196 Ca 0.09 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 1k9s s ALA 196 Cb -0.09 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.47 1k9s s ALA 196 CO -0.01 -0.41 0.51 -1.17 0.00 0.00 0.00 175.76 174.68 1k9s s LEU 197 N -2.93 0.05 -0.12 0.00 2.96 -0.60 -1.66 118.68 116.38 1k9s s LEU 197 Ca 0.09 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.98 1k9s s LEU 197 Cb 0.07 1.78 0.00 0.00 0.50 0.00 0.00 46.19 48.55 1k9s s LEU 197 CO -0.08 -0.23 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.60 1k9s s THR 198 N 0.05 2.09 -0.06 3.68 2.01 -1.26 -0.39 115.64 121.77 1k9s s THR 198 Ca -0.02 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.05 1k9s s THR 198 Cb -0.03 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1k9s s THR 198 CO 0.02 0.55 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.65 1k9s s ILE 199 N 0.56 1.86 0.10 1.82 1.01 0.19 -1.61 121.20 125.13 1k9s s ILE 199 Ca -0.13 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.61 1k9s s ILE 199 Cb -0.17 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1k9s s ILE 199 CO 0.04 0.52 -0.13 0.00 0.00 0.00 0.00 174.94 175.37 1k9s s THR 201 N -2.04 3.45 -0.09 0.00 2.01 -0.09 -0.51 115.64 118.37 1k9s s THR 201 Ca 0.05 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1k9s s THR 201 Cb -0.05 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 1k9s s THR 201 CO 0.02 0.53 1.68 -0.69 -0.69 0.00 0.00 174.62 175.46 1k9s s VAL 202 N 0.14 3.56 -1.35 3.82 1.01 -0.33 -1.87 120.40 125.38 1k9s s VAL 202 Ca -0.04 0.67 0.16 0.00 0.00 0.00 0.00 61.98 62.77 1k9s s VAL 202 Cb -0.14 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1k9s s VAL 202 CO 0.04 -0.10 0.82 -1.54 0.00 0.00 0.00 175.10 174.32 1k9s n SER 203 N 7.58 1.48 -3.54 3.32 3.41 0.39 -0.01 113.62 126.25 1k9s n SER 203 Ca 0.18 -1.24 -0.08 0.00 -0.26 0.00 0.00 58.87 57.48 1k9s n SER 203 Cb 0.43 0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 64.92 1k9s n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1k9s s ASP 204 N -1.98 -0.33 -0.15 4.04 1.47 -1.23 -1.19 116.67 117.29 1k9s s ASP 204 Ca 0.12 -0.05 0.01 0.00 1.18 0.00 0.00 52.55 53.81 1k9s s ASP 204 Cb 0.13 0.38 0.02 0.00 -0.34 0.00 0.00 42.92 43.11 1k9s s ASP 204 CO 0.44 -0.64 -0.16 -2.28 0.68 0.00 0.00 175.17 173.21 1k9s s HIS 205 N -3.10 2.35 0.32 2.11 2.46 -0.21 -1.21 115.29 118.00 1k9s s HIS 205 Ca 0.06 -1.33 0.22 0.00 0.47 0.00 0.00 55.06 54.48 1k9s s HIS 205 Cb -0.01 -1.68 1.06 0.00 -0.13 0.00 0.00 32.58 31.82 1k9s s HIS 205 CO -0.07 -0.69 1.92 0.82 -2.47 0.00 0.00 174.74 174.24 1k9s h ILE 206 N 6.01 0.80 0.00 0.89 2.04 -1.12 0.45 117.51 126.57 1k9s h ILE 206 Ca -0.40 -0.96 -0.19 0.00 1.00 0.00 0.00 64.86 64.32 1k9s h ILE 206 Cb 1.14 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1k9s h ILE 206 CO 0.56 0.23 -1.09 0.03 0.00 0.00 0.00 178.15 177.89 1k9s h ARG 207 N 0.00 0.00 0.00 2.37 -0.00 -1.88 -3.37 114.38 111.50 1k9s h ARG 207 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1k9s h ARG 207 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.53 1k9s h ARG 207 CO 0.03 0.87 0.00 1.79 0.00 0.00 0.00 179.97 182.66 1k9s h THR 208 N -1.00 0.00 0.00 2.04 1.35 -1.93 -3.47 112.91 109.90 1k9s h THR 208 Ca -0.28 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1k9s h THR 208 Cb 1.18 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1k9s h THR 208 CO -0.17 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.51 1k9s n HIS 209 N -2.68 0.00 -2.18 4.73 8.25 0.15 -5.00 115.22 118.48 1k9s n HIS 209 Ca 0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 1k9s n HIS 209 Cb 0.40 -0.70 0.01 0.00 1.12 0.00 0.00 29.99 30.82 1k9s n HIS 209 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1k9s s GLU 210 N -0.63 3.29 0.15 -0.41 2.02 -1.23 -4.80 118.70 117.08 1k9s s GLU 210 Ca 0.00 1.70 -0.20 0.00 0.02 0.00 0.00 54.97 56.49 1k9s s GLU 210 Cb 0.00 -2.03 0.06 0.00 0.10 0.00 0.00 34.13 32.25 1k9s s GLU 210 CO 0.00 -0.92 0.52 1.14 0.02 0.00 0.00 175.26 176.02 1k9s s GLN 211 N -3.23 1.20 0.28 1.61 -2.07 -1.26 -1.05 119.66 115.15 1k9s s GLN 211 Ca 0.73 -0.57 0.04 0.00 -1.82 0.00 0.00 55.36 53.74 1k9s s GLN 211 Cb -0.26 0.54 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 1k9s s GLN 211 CO 0.30 -0.51 0.42 0.95 -1.32 0.00 0.00 175.29 175.13 1k9s s THR 212 N -3.77 5.08 0.69 3.63 -4.23 -0.33 -4.99 115.64 111.72 1k9s s THR 212 Ca 0.02 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.60 1k9s s THR 212 Cb 0.00 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.07 1k9s s THR 212 CO -0.12 -0.37 1.03 0.42 -0.54 0.00 0.00 174.62 175.04 1k9s s THR 213 N -2.10 2.90 0.25 3.99 -4.23 -1.26 -4.92 115.64 110.27 1k9s s THR 213 Ca 0.37 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.85 1k9s s THR 213 Cb -0.09 -3.24 0.25 0.00 1.34 0.00 0.00 72.50 70.75 1k9s s THR 213 CO 0.31 -0.28 1.90 0.00 -0.54 0.00 0.00 174.62 176.02 1k9s h ALA 214 N -0.57 1.26 -0.74 3.99 0.00 -1.99 -1.94 119.26 119.27 1k9s h ALA 214 Ca -0.45 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1k9s h ALA 214 Cb 1.29 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1k9s h ALA 214 CO 0.62 0.53 0.27 0.00 0.00 0.00 0.00 179.25 180.66 1k9s h ALA 215 N 1.39 0.96 -0.72 0.00 0.00 -2.00 -1.98 119.26 116.91 1k9s h ALA 215 Ca 0.38 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1k9s h ALA 215 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1k9s h ALA 215 CO -0.11 0.61 0.19 0.93 0.00 0.00 0.00 179.25 180.86 1k9s h GLU 216 N 1.08 1.15 -0.19 0.00 5.08 -1.81 -2.66 114.58 117.23 1k9s h GLU 216 Ca 0.24 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1k9s h GLU 216 Cb 0.26 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1k9s h GLU 216 CO -0.01 1.00 -0.21 0.00 -1.00 0.00 0.00 179.01 178.79 1k9s h ARG 217 N 1.09 0.34 -0.02 2.33 3.08 -1.13 -0.42 114.38 119.66 1k9s h ARG 217 Ca 0.23 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 1k9s h ARG 217 Cb 0.36 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1k9s h ARG 217 CO 0.00 0.54 -0.65 0.37 -1.07 0.00 0.00 179.97 179.16 1k9s h GLN 218 N 0.31 0.08 0.00 0.04 4.15 -1.03 -3.41 115.11 115.25 1k9s h GLN 218 Ca 0.05 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1k9s h GLN 218 Cb 0.55 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1k9s h GLN 218 CO 0.04 0.70 0.00 0.25 -1.93 0.00 0.00 178.83 177.89 1k9s n THR 219 N -3.80 0.00 0.18 2.39 -2.24 -1.05 -4.17 114.28 105.59 1k9s n THR 219 Ca -0.02 -0.03 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1k9s n THR 219 Cb 0.64 1.76 0.03 0.00 -2.10 0.00 0.00 70.33 70.67 1k9s n THR 219 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k9s n THR 220 N -0.01 0.17 -2.59 4.28 -2.24 -0.17 -4.76 114.28 108.96 1k9s n THR 220 Ca 0.00 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 1k9s n THR 220 Cb 0.19 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1k9s n THR 220 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1k9s n PHE 221 N 0.27 3.43 0.04 4.78 3.72 -1.25 -4.71 117.46 123.74 1k9s n PHE 221 Ca 0.04 -2.94 0.06 0.00 -0.05 0.00 0.00 57.45 54.55 1k9s n PHE 221 Cb 0.18 -1.92 -0.07 0.00 -0.94 0.00 0.00 39.48 36.72 1k9s n PHE 221 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1k9s n ASN 222 N 3.96 0.64 -0.22 4.37 5.03 -1.26 -4.15 115.26 123.63 1k9s n ASN 222 Ca 0.37 0.26 -0.01 0.00 0.87 0.00 0.00 54.58 56.08 1k9s n ASN 222 Cb 0.38 0.66 0.11 0.00 -1.02 0.00 0.00 39.78 39.90 1k9s n ASN 222 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1k9s h ASP 223 N 0.00 0.43 0.35 6.41 3.32 -1.98 -1.13 116.42 123.83 1k9s h ASP 223 Ca -0.10 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1k9s h ASP 223 Cb 1.30 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1k9s h ASP 223 CO 0.02 0.27 -0.24 0.00 -1.72 0.00 0.00 179.24 177.56 1k9s h MET 224 N 0.58 0.00 -0.20 3.56 -0.00 -1.97 -1.86 114.93 115.05 1k9s h MET 224 Ca 0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.84 1k9s h MET 224 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 1k9s h MET 224 CO -0.23 0.24 -0.54 0.82 -0.00 0.00 0.00 176.91 177.20 1k9s h ILE 225 N 0.00 1.31 -0.46 -0.10 1.08 -1.40 -1.17 117.51 116.77 1k9s h ILE 225 Ca -0.00 -1.76 -0.03 0.00 -0.39 0.00 0.00 64.86 62.68 1k9s h ILE 225 Cb 0.48 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 1k9s h ILE 225 CO 0.03 0.56 0.19 0.11 -0.69 0.00 0.00 178.15 178.34 1k9s h LYS 226 N 0.43 0.68 -0.29 2.37 1.57 -1.06 0.03 116.57 120.30 1k9s h LYS 226 Ca -0.01 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1k9s h LYS 226 Cb 1.16 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1k9s h LYS 226 CO 0.12 0.62 0.17 0.82 -0.57 0.00 0.00 179.45 180.60 1k9s h ILE 227 N 0.60 1.03 0.04 1.86 2.04 -1.33 -0.51 117.51 121.23 1k9s h ILE 227 Ca 0.15 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1k9s h ILE 227 Cb 0.19 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1k9s h ILE 227 CO -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 178.15 178.18 1k9s h ALA 228 N 1.13 -0.05 -0.35 1.87 0.00 -0.88 0.20 119.26 121.18 1k9s h ALA 228 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1k9s h ALA 228 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1k9s h ALA 228 CO -0.06 -0.52 0.16 -0.07 0.00 0.00 0.00 179.25 178.77 1k9s h LEU 229 N -0.07 0.47 -1.30 0.00 3.38 -0.89 -2.34 115.31 114.56 1k9s h LEU 229 Ca -0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1k9s h LEU 229 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1k9s h LEU 229 CO 0.01 0.48 -0.35 -0.33 0.09 0.00 0.00 178.44 178.34 1k9s h GLU 230 N 0.43 0.00 -0.05 1.13 4.39 -1.04 -2.49 114.58 116.95 1k9s h GLU 230 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1k9s h GLU 230 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1k9s h GLU 230 CO -0.01 0.35 -0.43 0.66 -1.16 0.00 0.00 179.01 178.41 1k9s h SER 231 N 0.00 0.13 -0.45 1.42 4.64 -0.53 -2.48 113.55 116.28 1k9s h SER 231 Ca -0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1k9s h SER 231 Cb 0.64 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1k9s h SER 231 CO 0.05 0.55 0.11 0.58 -0.87 0.00 0.00 176.83 177.24 1k9s h VAL 232 N 0.10 1.23 -0.81 0.95 2.07 -0.96 -1.46 116.25 117.38 1k9s h VAL 232 Ca 0.01 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1k9s h VAL 232 Cb 0.81 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1k9s h VAL 232 CO 0.06 0.29 0.46 -0.07 0.02 0.00 0.00 177.57 178.33 1k9s h LEU 233 N 0.59 0.99 -0.65 2.57 3.38 -1.42 -1.54 115.31 119.22 1k9s h LEU 233 Ca 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1k9s h LEU 233 Cb 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1k9s h LEU 233 CO 0.00 0.78 0.38 -0.07 0.09 0.00 0.00 178.44 179.62 1k9s h LEU 234 N 1.11 0.80 -2.00 1.67 3.38 -1.24 -2.17 115.31 116.87 1k9s h LEU 234 Ca 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1k9s h LEU 234 Cb -0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1k9s h LEU 234 CO -0.05 0.65 -0.10 1.23 0.09 0.00 0.00 178.44 180.26 1k9s h GLY 235 N 0.89 0.00 2.00 0.83 0.00 -0.54 -0.99 103.07 105.25 1k9s h GLY 235 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1k9s h GLY 235 CO -0.04 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.95 1k9s h ASP 236 N 0.00 0.00 0.00 0.19 3.32 -0.63 -3.51 116.42 115.79 1k9s h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k9s h ASP 236 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1k9s h ASP 236 CO 0.01 0.00 0.00 1.17 -1.72 0.00 0.00 179.24 178.70