#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 0.81 -0.38 0.00 -4.23 -0.19 -4.98 115.64 106.67 1k9s s THR 2 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1k9s s THR 2 Cb 0.00 -2.39 0.25 0.00 1.34 0.00 0.00 72.50 71.70 1k9s s THR 2 CO 0.00 0.00 1.71 -2.65 -0.54 0.00 0.00 174.62 173.14 1k9s n PRO 3 N -0.95 0.19 -0.00 3.99 -0.02 -1.26 -3.26 135.00 133.69 1k9s n PRO 3 Ca -0.08 0.49 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 1k9s n PRO 3 Cb 0.66 -1.91 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1k9s n PRO 3 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1k9s n HIS 4 N -2.28 0.00 -3.78 6.00 8.25 -1.26 -4.95 115.22 117.21 1k9s n HIS 4 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 1k9s n HIS 4 Cb 0.18 -0.10 -0.17 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.18 0.60 -1.16 1.59 1.01 -1.20 -4.59 121.20 115.26 1k9s s ILE 5 Ca -0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1k9s s ILE 5 Cb 0.05 -0.94 0.22 0.00 0.01 0.00 0.00 42.46 41.80 1k9s s ILE 5 CO 0.30 -0.00 1.28 0.21 0.00 0.00 0.00 174.94 176.72 1k9s s ASN 6 N 1.85 7.19 0.33 3.58 3.04 -1.26 -1.02 114.94 128.65 1k9s s ASN 6 Ca 0.01 -3.28 -0.12 0.00 0.04 0.00 0.00 52.86 49.52 1k9s s ASN 6 Cb -0.15 -2.31 0.02 0.00 -1.54 0.00 0.00 41.25 37.27 1k9s s ASN 6 CO -0.07 -0.53 0.61 0.00 -3.04 0.00 0.00 177.10 174.07 1k9s s ALA 7 N 0.24 -0.23 0.23 1.71 0.00 -1.26 -4.67 121.76 117.77 1k9s s ALA 7 Ca 0.37 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.42 1k9s s ALA 7 Cb -0.06 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1k9s s ALA 7 CO -0.04 -0.90 -0.04 -1.21 0.00 0.00 0.00 175.76 173.56 1k9s s GLU 8 N -3.15 1.34 0.12 0.00 0.41 -1.26 -2.31 118.70 113.85 1k9s s GLU 8 Ca 0.21 -1.66 -0.35 0.00 -0.41 0.00 0.00 54.97 52.76 1k9s s GLU 8 Cb -0.03 -0.78 -0.16 0.00 -1.78 0.00 0.00 34.13 31.38 1k9s s GLU 8 CO 0.13 -0.01 1.32 -0.12 -0.49 0.00 0.00 175.26 176.08 1k9s n MET 9 N -0.42 1.25 0.00 1.61 0.00 -1.26 -1.21 117.12 117.09 1k9s n MET 9 Ca -0.06 0.45 0.00 0.00 -0.00 0.00 0.00 57.70 58.09 1k9s n MET 9 Cb 0.63 -2.07 0.00 0.00 0.00 0.00 0.00 33.22 31.78 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 2.46 2.79 0.26 -5.12 0.00 -1.26 -4.91 105.19 99.40 1k9s n GLY 10 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 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 0.24 0.00 -3.47 1.61 3.32 -1.53 -3.43 116.42 113.16 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 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1k9s h ASP 11 CO 0.00 0.09 -0.67 -0.36 -1.72 0.00 0.00 179.24 176.58 1k9s s PHE 12 N -3.79 2.99 1.06 4.55 0.08 -1.26 -4.73 117.98 116.88 1k9s s PHE 12 Ca -0.00 0.03 -0.16 0.00 0.12 0.00 0.00 56.93 56.92 1k9s s PHE 12 Cb 0.10 -1.65 0.22 0.00 -0.57 0.00 0.00 43.02 41.13 1k9s s PHE 12 CO 0.57 0.42 1.15 0.00 -0.10 0.00 0.00 175.22 177.25 1k9s s ALA 13 N -1.04 1.18 -1.54 5.36 0.00 -1.26 -4.93 121.76 119.53 1k9s s ALA 13 Ca 0.18 -0.78 0.30 0.00 0.00 0.00 0.00 51.96 51.67 1k9s s ALA 13 Cb -0.11 -2.95 1.50 0.00 0.00 0.00 0.00 23.12 21.56 1k9s s ALA 13 CO 0.09 -2.98 2.03 -0.40 0.00 0.00 0.00 175.76 174.50 1k9s n ASP 14 N -4.27 0.11 -4.03 0.00 5.75 -1.26 -4.65 116.55 108.19 1k9s n ASP 14 Ca 0.10 -0.33 -0.25 0.00 -0.01 0.00 0.00 54.79 54.30 1k9s n ASP 14 Cb 0.59 -0.21 -0.17 0.00 -1.03 0.00 0.00 41.12 40.31 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 -2.49 1.18 -0.07 2.12 1.01 -1.26 -0.49 120.40 120.39 1k9s s VAL 15 Ca 0.31 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1k9s s VAL 15 Cb 0.20 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1k9s s VAL 15 CO 0.46 0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 175.11 1k9s s VAL 16 N 0.67 1.15 -0.03 2.92 1.01 -0.65 -2.07 120.40 123.40 1k9s s VAL 16 Ca -0.14 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1k9s s VAL 16 Cb -0.16 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1k9s s VAL 16 CO 0.04 0.36 0.47 -0.76 0.00 0.00 0.00 175.10 175.21 1k9s s LEU 17 N 0.81 4.41 -0.21 3.92 1.02 0.07 -1.22 118.68 127.48 1k9s s LEU 17 Ca -0.12 0.97 -0.03 0.00 0.02 0.00 0.00 54.13 54.98 1k9s s LEU 17 Cb -0.15 -2.70 0.07 0.00 0.02 0.00 0.00 46.19 43.43 1k9s s LEU 17 CO 0.02 0.19 0.05 -0.04 0.02 0.00 0.00 176.35 176.60 1k9s s MET 18 N -0.44 0.57 0.59 1.70 -1.94 0.74 -1.27 119.30 119.26 1k9s s MET 18 Ca 0.26 -0.46 -0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1k9s s MET 18 Cb -0.17 -2.02 0.04 0.00 2.01 0.00 0.00 34.83 34.70 1k9s s MET 18 CO 0.13 -0.70 0.85 -1.25 -0.01 0.00 0.00 175.02 174.04 1k9s s PRO 19 N 1.88 2.47 0.09 2.03 0.04 -1.24 -1.39 135.00 138.87 1k9s s PRO 19 Ca 0.01 -0.59 -0.05 0.00 0.04 0.00 0.00 61.00 60.41 1k9s s PRO 19 Cb -0.17 -2.39 -0.24 0.00 0.04 0.00 0.00 34.50 31.74 1k9s s PRO 19 CO -0.12 -0.85 1.17 0.78 0.04 0.00 0.00 177.00 178.02 1k9s h GLY 20 N -0.12 0.35 -6.14 0.56 0.00 -1.85 -0.78 103.07 95.09 1k9s h GLY 20 Ca -0.43 -0.83 -0.60 0.00 0.00 0.00 0.00 47.33 45.47 1k9s h GLY 20 CO 0.55 0.73 0.51 -0.35 0.00 0.00 0.00 176.54 177.98 1k9s s ASP 21 N -7.15 6.73 0.54 0.19 -1.08 -1.26 -1.62 116.67 113.01 1k9s s ASP 21 Ca -0.05 0.75 0.21 0.00 -0.52 0.00 0.00 52.55 52.94 1k9s s ASP 21 Cb 0.07 -2.44 1.44 0.00 -1.46 0.00 0.00 42.92 40.54 1k9s s ASP 21 CO 0.88 -0.69 2.17 1.55 0.52 0.00 0.00 175.17 179.60 1k9s h PRO 22 N 8.13 0.00 0.00 4.34 0.13 -1.87 -0.12 132.00 142.60 1k9s h PRO 22 Ca -0.23 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1k9s h PRO 22 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1k9s h PRO 22 CO 0.92 0.02 -0.28 -0.07 -0.23 0.00 0.00 178.00 178.36 1k9s h LEU 23 N 0.00 0.00 -0.55 1.56 3.38 -1.92 -1.70 115.31 116.08 1k9s h LEU 23 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1k9s h LEU 23 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1k9s h LEU 23 CO 0.00 0.28 -0.72 0.03 0.09 0.00 0.00 178.44 178.13 1k9s h ARG 24 N 0.00 0.07 -0.62 1.13 3.08 -1.43 -2.31 114.38 114.29 1k9s h ARG 24 Ca -0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1k9s h ARG 24 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1k9s h ARG 24 CO 0.04 0.75 0.16 0.00 -1.07 0.00 0.00 179.97 179.85 1k9s h ALA 25 N 1.23 1.11 -0.39 0.04 0.00 -1.03 -0.21 119.26 120.00 1k9s h ALA 25 Ca -0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1k9s h ALA 25 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1k9s h ALA 25 CO 0.10 0.60 -0.04 -0.22 0.00 0.00 0.00 179.25 179.69 1k9s h LYS 26 N 0.93 0.72 -0.77 0.00 3.64 -1.25 -1.44 116.57 118.40 1k9s h LYS 26 Ca 0.20 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1k9s h LYS 26 Cb 0.32 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1k9s h LYS 26 CO -0.00 0.84 0.47 -0.92 -2.27 0.00 0.00 179.45 177.56 1k9s h TYR 27 N 0.54 0.87 -0.29 1.91 3.20 -0.96 -1.32 116.97 120.91 1k9s h TYR 27 Ca 0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1k9s h TYR 27 Cb 0.54 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1k9s h TYR 27 CO 0.04 0.46 0.04 0.82 -1.64 0.00 0.00 178.16 177.89 1k9s h ILE 28 N 0.88 1.23 -0.76 1.81 2.04 -0.85 -0.49 117.51 121.38 1k9s h ILE 28 Ca 0.32 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1k9s h ILE 28 Cb 0.11 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1k9s h ILE 28 CO -0.15 0.26 0.50 0.00 0.00 0.00 0.00 178.15 178.77 1k9s h ALA 29 N 0.87 0.96 0.00 1.87 0.00 -0.83 0.81 119.26 122.94 1k9s h ALA 29 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1k9s h ALA 29 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1k9s h ALA 29 CO 0.01 0.37 -0.57 0.93 0.00 0.00 0.00 179.25 179.99 1k9s h GLU 30 N 1.02 0.00 0.03 0.00 5.08 -1.19 -3.01 114.58 116.52 1k9s h GLU 30 Ca 0.28 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.28 1k9s h GLU 30 Cb -0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1k9s h GLU 30 CO -0.06 0.57 -2.21 2.41 -1.00 0.00 0.00 179.01 178.72 1k9s n THR 31 N -3.34 1.56 0.00 1.13 -1.04 -0.20 -4.73 114.28 107.67 1k9s n THR 31 Ca 0.01 -0.70 0.05 0.00 -2.04 0.00 0.00 64.05 61.37 1k9s n THR 31 Cb 0.71 -1.22 -0.07 0.00 -1.82 0.00 0.00 70.33 67.93 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 -3.17 0.00 -3.99 -1.42 3.01 0.26 -5.03 117.46 107.12 1k9s n PHE 32 Ca -0.35 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 57.84 1k9s n PHE 32 Cb 1.05 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 40.28 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 -3.61 4.14 0.05 4.37 1.02 -1.13 -4.75 118.68 118.77 1k9s s LEU 33 Ca -0.03 0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.23 1k9s s LEU 33 Cb 0.06 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 1k9s s LEU 33 CO 0.38 0.08 -0.02 -1.61 0.02 0.00 0.00 176.35 175.20 1k9s s GLU 34 N -3.04 2.58 -1.56 1.70 2.02 0.01 -4.56 118.70 115.85 1k9s s GLU 34 Ca 0.33 -0.77 -0.15 0.00 0.02 0.00 0.00 54.97 54.40 1k9s s GLU 34 Cb -0.11 -2.55 0.11 0.00 0.10 0.00 0.00 34.13 31.68 1k9s s GLU 34 CO 0.26 0.57 0.85 -0.25 0.02 0.00 0.00 175.26 176.71 1k9s n ASP 35 N 0.96 -4.24 -4.76 -0.19 8.00 -1.26 -1.97 116.55 113.09 1k9s n ASP 35 Ca -0.13 -0.79 -0.41 0.00 0.71 0.00 0.00 54.79 54.18 1k9s n ASP 35 Cb 0.52 -3.42 -0.03 0.00 -0.02 0.00 0.00 41.12 38.17 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 -3.24 3.46 0.03 2.24 0.00 -1.26 -4.60 121.76 118.39 1k9s s ALA 36 Ca 0.66 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.70 1k9s s ALA 36 Cb -0.34 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1k9s s ALA 36 CO 0.81 -0.39 -0.10 -0.98 0.00 0.00 0.00 175.76 175.09 1k9s s ARG 37 N -1.18 0.71 -0.02 0.00 1.70 -0.38 -4.94 118.95 114.85 1k9s s ARG 37 Ca 0.49 -0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 54.84 1k9s s ARG 37 Cb -0.35 -0.65 -0.05 0.00 -0.57 0.00 0.00 34.95 33.33 1k9s s ARG 37 CO 0.44 0.16 1.36 -2.00 -1.08 0.00 0.00 175.30 174.18 1k9s s GLU 38 N -0.96 4.29 0.00 3.89 2.12 -1.26 -1.37 118.70 125.41 1k9s s GLU 38 Ca -0.01 1.90 0.09 0.00 0.36 0.00 0.00 54.97 57.31 1k9s s GLU 38 Cb -0.07 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 1k9s s GLU 38 CO 0.01 -0.56 0.46 1.33 -0.54 0.00 0.00 175.26 175.96 1k9s n VAL 39 N 4.69 0.00 -3.68 3.70 0.24 0.60 -4.95 118.33 118.92 1k9s n VAL 39 Ca 0.13 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 1k9s n VAL 39 Cb 0.44 1.04 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.59 -0.53 0.00 -1.34 3.04 -1.12 -4.42 114.94 108.98 1k9s s ASN 40 Ca 0.05 0.94 0.00 0.00 0.04 0.00 0.00 52.86 53.89 1k9s s ASN 40 Cb 0.07 0.96 0.00 0.00 -1.54 0.00 0.00 41.25 40.74 1k9s s ASN 40 CO 0.30 -0.25 0.36 -0.46 -3.04 0.00 0.00 177.10 174.01 1k9s n ASN 41 N 2.47 0.00 -4.74 -4.21 2.04 -1.26 -1.92 115.26 107.64 1k9s n ASN 41 Ca -0.15 -1.03 -0.42 0.00 -0.44 0.00 0.00 54.58 52.54 1k9s n ASN 41 Cb 0.56 -0.01 -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 1.04 -1.61 3.53 0.31 -1.26 -0.65 118.33 119.69 1k9s n VAL 42 Ca 0.00 -0.26 -0.18 0.00 -0.01 0.00 0.00 64.34 63.89 1k9s n VAL 42 Cb 0.51 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 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 2.11 -1.44 -1.17 5.55 1.74 -1.26 -1.20 116.66 120.98 1k9s n ARG 43 Ca 0.09 1.07 -0.06 0.00 -0.77 0.00 0.00 57.85 58.18 1k9s n ARG 43 Cb 0.36 -5.44 -0.03 0.00 -1.02 0.00 0.00 32.46 26.34 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 -0.40 0.71 3.34 -0.13 0.00 0.18 -4.91 105.19 103.99 1k9s n GLY 44 Ca -0.19 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.33 3.39 -1.67 1.61 0.00 -0.34 -4.82 117.12 113.96 1k9s n MET 45 Ca -0.06 -3.70 -0.46 0.00 0.00 0.00 0.00 57.70 53.49 1k9s n MET 45 Cb 0.38 -3.07 -0.04 0.00 0.00 0.00 0.00 33.22 30.49 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 5.59 3.06 -4.07 -0.89 4.77 -1.26 -4.43 117.00 119.77 1k9s n LEU 46 Ca 0.39 1.11 -0.20 0.00 -0.03 0.00 0.00 56.01 57.28 1k9s n LEU 46 Cb 0.42 -1.42 -0.14 0.00 -2.33 0.00 0.00 43.42 39.94 1k9s n LEU 46 CO 0.68 -0.40 -0.45 -0.83 -1.33 0.00 0.00 177.39 175.07 1k9s s GLY 47 N 0.63 0.59 0.08 -0.72 0.00 -0.81 -2.00 107.32 105.08 1k9s s GLY 47 Ca 0.74 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.92 1k9s s GLY 47 CO 0.43 -0.50 -0.08 -1.36 0.00 0.00 0.00 173.10 171.59 1k9s s PHE 48 N -0.44 0.85 -0.04 1.90 0.40 0.11 -0.29 117.98 120.47 1k9s s PHE 48 Ca 0.03 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 1k9s s PHE 48 Cb -0.05 -0.49 0.02 0.00 0.51 0.00 0.00 43.02 43.01 1k9s s PHE 48 CO 0.00 -0.10 -0.05 0.99 0.70 0.00 0.00 175.22 176.76 1k9s s THR 49 N -2.66 0.56 0.00 0.64 2.01 -0.47 -0.72 115.64 115.00 1k9s s THR 49 Ca 0.03 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1k9s s THR 49 Cb -0.01 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1k9s s THR 49 CO -0.02 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1k9s n GLY 50 N 3.95 3.19 3.29 4.40 0.00 -0.30 -1.25 105.19 118.47 1k9s n GLY 50 Ca -0.25 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.69 1.63 -0.11 2.61 -4.23 -0.83 -0.81 115.64 111.20 1k9s s THR 51 Ca 0.00 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1k9s s THR 51 Cb 0.00 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.25 1k9s s THR 51 CO 0.00 -0.24 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.30 1k9s s TYR 52 N -1.69 1.44 -1.52 3.99 5.04 0.39 -0.81 117.35 124.19 1k9s s TYR 52 Ca 0.10 -0.71 -0.05 0.00 -2.44 0.00 0.00 57.07 53.97 1k9s s TYR 52 Cb -0.07 -1.21 0.04 0.00 0.35 0.00 0.00 41.96 41.07 1k9s s TYR 52 CO 0.05 -0.50 0.44 1.63 -1.34 0.00 0.00 175.55 175.82 1k9s n LYS 53 N 4.95 -2.79 0.00 4.97 5.02 -1.26 -0.20 118.16 128.86 1k9s n LYS 53 Ca -0.12 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1k9s n LYS 53 Cb 0.50 -4.51 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 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 -1.93 2.75 3.77 0.72 0.00 -1.26 -5.01 105.19 104.23 1k9s n GLY 54 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 4.06 0.06 1.61 3.52 0.72 -5.00 118.95 123.92 1k9s s ARG 55 Ca 0.00 0.07 -0.31 0.00 -0.13 0.00 0.00 55.73 55.36 1k9s s ARG 55 Cb 0.00 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 1k9s s ARG 55 CO 0.00 0.40 1.59 0.21 -0.81 0.00 0.00 175.30 176.70 1k9s s LYS 56 N -0.03 4.22 0.02 5.12 2.20 -1.26 -0.47 119.74 129.54 1k9s s LYS 56 Ca 0.16 2.25 0.01 0.00 -0.36 0.00 0.00 55.97 58.03 1k9s s LYS 56 Cb -0.13 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1k9s s LYS 56 CO 0.05 -0.70 -0.04 0.42 -0.36 0.00 0.00 175.35 174.72 1k9s s ILE 57 N 2.54 0.28 0.17 5.43 -1.09 0.01 -4.68 121.20 123.86 1k9s s ILE 57 Ca 0.72 -0.59 0.11 0.00 -2.23 0.00 0.00 60.65 58.65 1k9s s ILE 57 Cb -0.38 -0.33 -0.04 0.00 -1.58 0.00 0.00 42.46 40.13 1k9s s ILE 57 CO 0.31 -0.21 -0.23 -0.44 -1.23 0.00 0.00 174.94 173.14 1k9s s SER 58 N -0.85 3.49 -0.03 3.58 0.01 -0.88 -1.15 113.70 117.87 1k9s s SER 58 Ca -0.06 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.39 1k9s s SER 58 Cb -0.06 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.91 1k9s s SER 58 CO -0.00 0.14 0.06 0.54 0.41 0.00 0.00 173.24 174.39 1k9s s VAL 59 N -1.48 -0.07 -0.12 3.43 0.11 0.10 -0.75 120.40 121.63 1k9s s VAL 59 Ca 0.19 0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.34 1k9s s VAL 59 Cb -0.09 -0.13 0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1k9s s VAL 59 CO 0.09 0.09 0.35 -0.32 -3.33 0.00 0.00 175.10 171.98 1k9s s MET 60 N 1.20 0.42 0.68 1.54 0.00 -0.39 0.10 119.30 122.84 1k9s s MET 60 Ca -0.08 0.45 -0.14 0.00 0.00 0.00 0.00 55.69 55.92 1k9s s MET 60 Cb -0.13 0.20 0.01 0.00 0.00 0.00 0.00 34.83 34.92 1k9s s MET 60 CO -0.04 -0.06 1.11 0.20 0.00 0.00 0.00 175.02 176.24 1k9s s GLY 61 N 0.10 2.11 0.00 2.11 0.00 -0.85 -3.73 107.32 107.07 1k9s s GLY 61 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1k9s s GLY 61 CO 0.01 0.89 0.39 -2.39 0.00 0.00 0.00 173.10 172.00 1k9s n HIS 62 N -2.56 0.00 -0.07 1.90 1.44 -0.30 -4.87 115.22 110.76 1k9s n HIS 62 Ca 0.10 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.82 1k9s n HIS 62 Cb 0.52 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.63 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 0.20 -1.60 3.77 -1.39 0.00 -0.64 -3.01 105.19 102.52 1k9s n GLY 63 Ca 0.00 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.50 4.13 0.00 1.61 1.00 -1.26 -4.64 119.30 118.64 1k9s s MET 64 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 55.69 55.96 1k9s s MET 64 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 34.83 31.48 1k9s s MET 64 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.02 175.81 1k9s n GLY 65 N 2.81 1.43 0.21 -0.03 0.00 -1.25 -4.45 105.19 103.91 1k9s n GLY 65 Ca -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 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 0.78 -0.76 -0.61 2.04 -1.68 -2.11 117.51 115.17 1k9s h ILE 66 Ca 0.00 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1k9s h ILE 66 Cb 0.00 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1k9s h ILE 66 CO 0.00 0.06 0.46 -0.65 0.00 0.00 0.00 178.15 178.02 1k9s h PRO 67 N 0.32 1.03 0.18 2.37 0.11 -1.90 -0.47 132.00 133.64 1k9s h PRO 67 Ca 0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1k9s h PRO 67 Cb 0.31 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1k9s h PRO 67 CO -0.28 0.73 -0.09 1.03 -0.21 0.00 0.00 178.00 179.18 1k9s h SER 68 N 1.05 -0.20 0.69 -2.05 0.87 -1.69 -3.12 113.55 109.10 1k9s h SER 68 Ca 0.27 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1k9s h SER 68 Cb -0.04 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1k9s h SER 68 CO -0.05 0.20 -0.20 0.00 -0.53 0.00 0.00 176.83 176.24 1k9s h SER 70 N 0.00 0.33 0.28 0.00 0.02 -1.09 -0.89 113.55 112.21 1k9s h SER 70 Ca -0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1k9s h SER 70 Cb 0.60 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1k9s h SER 70 CO 0.03 0.61 -0.14 0.40 -1.14 0.00 0.00 176.83 176.59 1k9s h ILE 71 N 0.30 0.70 -0.53 3.27 2.04 -1.43 -2.52 117.51 119.33 1k9s h ILE 71 Ca 0.04 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1k9s h ILE 71 Cb 0.65 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1k9s h ILE 71 CO 0.05 0.13 0.30 1.88 0.00 0.00 0.00 178.15 180.51 1k9s h TYR 72 N -0.80 0.71 -0.38 1.37 0.05 -1.51 -2.24 116.97 114.17 1k9s h TYR 72 Ca -0.04 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.62 1k9s h TYR 72 Cb 0.51 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1k9s h TYR 72 CO 0.04 0.51 -0.23 1.79 -1.05 0.00 0.00 178.16 179.22 1k9s h THR 73 N 0.71 1.27 -0.13 -2.88 1.35 -1.26 -1.24 112.91 110.73 1k9s h THR 73 Ca 0.19 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.70 1k9s h THR 73 Cb 0.02 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1k9s h THR 73 CO -0.03 0.45 0.06 0.50 -0.25 0.00 0.00 175.52 176.24 1k9s h LYS 74 N 0.66 0.19 -0.61 4.72 3.11 -1.32 -2.48 116.57 120.83 1k9s h LYS 74 Ca 0.09 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1k9s h LYS 74 Cb 0.74 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.91 1k9s h LYS 74 CO 0.06 0.26 0.27 0.93 -2.81 0.00 0.00 179.45 178.16 1k9s h GLU 75 N 0.08 0.89 -0.87 1.90 5.08 -1.29 -1.10 114.58 119.27 1k9s h GLU 75 Ca 0.04 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1k9s h GLU 75 Cb 0.13 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1k9s h GLU 75 CO -0.01 0.74 0.54 -0.07 -1.00 0.00 0.00 179.01 179.21 1k9s h LEU 76 N 0.84 0.85 0.14 1.33 3.38 -1.15 0.17 115.31 120.86 1k9s h LEU 76 Ca 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1k9s h LEU 76 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1k9s h LEU 76 CO -0.02 0.54 -0.07 0.40 0.09 0.00 0.00 178.44 179.38 1k9s h ILE 77 N 0.98 1.00 0.00 1.22 2.04 -1.08 -1.44 117.51 120.22 1k9s h ILE 77 Ca 0.38 -1.10 -0.21 0.00 1.00 0.00 0.00 64.86 64.93 1k9s h ILE 77 Cb 0.19 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1k9s h ILE 77 CO -0.18 0.24 -1.10 0.71 0.00 0.00 0.00 178.15 177.82 1k9s h THR 78 N -0.76 1.43 0.00 -0.27 1.35 -1.16 -3.18 112.91 110.32 1k9s h THR 78 Ca -0.02 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 1k9s h THR 78 Cb 0.53 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1k9s h THR 78 CO 0.03 0.82 -1.57 0.47 -0.25 0.00 0.00 175.52 175.01 1k9s n ASP 79 N -3.27 1.21 -0.03 5.36 9.92 0.58 -4.61 116.55 125.70 1k9s n ASP 79 Ca -0.03 -0.15 0.02 0.00 -0.53 0.00 0.00 54.79 54.11 1k9s n ASP 79 Cb 0.94 1.62 0.03 0.00 -0.64 0.00 0.00 41.12 43.07 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 -1.95 0.00 -1.45 1.24 3.72 -0.87 -4.52 117.46 113.63 1k9s n PHE 80 Ca -0.02 -0.57 -0.16 0.00 -0.05 0.00 0.00 57.45 56.65 1k9s n PHE 80 Cb 0.39 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.68 1.54 3.74 1.37 0.00 -1.03 -4.64 105.19 105.50 1k9s n GLY 81 Ca 0.04 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.47 2.95 -0.19 1.61 1.01 -0.60 -4.79 120.40 117.93 1k9s s VAL 82 Ca 0.00 0.80 0.12 0.00 0.00 0.00 0.00 61.98 62.91 1k9s s VAL 82 Cb 0.00 -3.51 -0.20 0.00 0.00 0.00 0.00 36.38 32.67 1k9s s VAL 82 CO 0.00 0.13 -0.00 0.29 0.00 0.00 0.00 175.10 175.52 1k9s n LYS 83 N 2.36 1.00 -4.32 2.72 4.76 0.35 -4.46 118.16 120.58 1k9s n LYS 83 Ca 0.06 0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.33 1k9s n LYS 83 Cb 0.42 -1.45 -0.15 0.00 -1.84 0.00 0.00 35.03 32.00 1k9s n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1k9s s LYS 84 N -2.43 0.85 -0.08 1.97 1.02 -0.78 -1.79 119.74 118.50 1k9s s LYS 84 Ca -0.14 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1k9s s LYS 84 Cb 0.06 -0.81 0.01 0.00 -0.52 0.00 0.00 37.83 36.56 1k9s s LYS 84 CO 0.67 0.08 -0.17 0.42 -0.92 0.00 0.00 175.35 175.43 1k9s s ILE 85 N 0.27 1.48 -0.25 2.17 1.01 -0.49 -1.64 121.20 123.75 1k9s s ILE 85 Ca -0.04 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1k9s s ILE 85 Cb -0.09 -1.31 0.06 0.00 0.01 0.00 0.00 42.46 41.13 1k9s s ILE 85 CO 0.00 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.68 1k9s s ILE 86 N 0.51 1.80 0.11 2.92 1.01 -0.36 -1.51 121.20 125.68 1k9s s ILE 86 Ca -0.15 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 58.75 1k9s s ILE 86 Cb -0.16 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 1k9s s ILE 86 CO 0.06 -0.12 0.99 -0.60 0.00 0.00 0.00 174.94 175.27 1k9s s ARG 87 N 1.26 4.66 -0.37 2.79 3.52 0.07 -0.18 118.95 130.70 1k9s s ARG 87 Ca -0.06 1.50 0.02 0.00 -0.13 0.00 0.00 55.73 57.06 1k9s s ARG 87 Cb -0.19 -3.37 0.11 0.00 -1.56 0.00 0.00 34.95 29.94 1k9s s ARG 87 CO -0.06 0.14 0.13 0.14 -0.81 0.00 0.00 175.30 174.84 1k9s s VAL 88 N 0.12 1.61 0.00 7.11 -7.23 -0.49 -0.90 120.40 120.62 1k9s s VAL 88 Ca 0.48 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1k9s s VAL 88 Cb -0.24 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1k9s s VAL 88 CO 0.30 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1k9s n GLY 89 N 4.22 6.86 3.46 2.32 0.00 -0.23 -4.07 105.19 117.75 1k9s n GLY 89 Ca 0.03 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 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 1.00 3.37 0.18 1.61 1.04 -1.26 -1.31 113.70 118.34 1k9s s SER 90 Ca 0.00 -1.07 -0.17 0.00 0.48 0.00 0.00 55.95 55.18 1k9s s SER 90 Cb 0.00 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.88 1k9s s SER 90 CO 0.00 -0.08 0.51 0.00 0.98 0.00 0.00 173.24 174.65 1k9s s GLY 92 N -2.86 2.11 0.08 0.00 0.00 -0.27 -1.39 107.32 104.99 1k9s s GLY 92 Ca 0.08 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1k9s s GLY 92 CO -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 173.10 172.24 1k9s s ALA 93 N -1.41 3.41 -0.00 3.20 0.00 -0.23 0.21 121.76 126.94 1k9s s ALA 93 Ca 0.31 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1k9s s ALA 93 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1k9s s ALA 93 CO 0.23 0.72 0.05 1.33 0.00 0.00 0.00 175.76 178.09 1k9s n VAL 94 N 0.58 0.01 -2.87 0.00 0.24 -1.26 -1.22 118.33 113.80 1k9s n VAL 94 Ca -0.10 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.34 61.74 1k9s n VAL 94 Cb 0.52 0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 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 -3.22 4.49 0.40 1.34 1.43 -1.26 -4.80 118.68 117.07 1k9s s LEU 95 Ca -0.01 1.63 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 1k9s s LEU 95 Cb 0.02 -3.40 0.86 0.00 0.03 0.00 0.00 46.19 43.70 1k9s s LEU 95 CO 0.10 0.01 2.02 1.55 0.23 0.00 0.00 176.35 180.26 1k9s h PRO 96 N 5.44 0.56 -0.00 1.29 0.13 -1.99 -1.88 132.00 135.55 1k9s h PRO 96 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k9s h PRO 96 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1k9s h PRO 96 CO 0.71 0.37 -0.07 0.72 -0.23 0.00 0.00 178.00 179.50 1k9s n HIS 97 N -4.47 0.00 -3.25 1.56 8.25 -1.26 -4.69 115.22 111.37 1k9s n HIS 97 Ca 0.06 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 1k9s n HIS 97 Cb 0.16 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 30.92 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 -2.62 5.09 0.23 1.59 1.01 -0.71 -5.05 120.40 119.94 1k9s s VAL 98 Ca 0.26 0.90 0.06 0.00 0.00 0.00 0.00 61.98 63.20 1k9s s VAL 98 Cb 0.20 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1k9s s VAL 98 CO 0.49 0.13 0.22 -0.54 0.00 0.00 0.00 175.10 175.39 1k9s s LYS 99 N 2.00 3.03 0.29 2.72 -0.14 -1.26 -4.82 119.74 121.56 1k9s s LYS 99 Ca 0.22 -0.95 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 1k9s s LYS 99 Cb -0.15 -2.65 -0.13 0.00 -1.68 0.00 0.00 37.83 33.21 1k9s s LYS 99 CO 0.09 0.43 1.32 -0.11 -0.76 0.00 0.00 175.35 176.31 1k9s n LEU 100 N -1.04 3.17 0.00 3.17 7.94 -1.26 -1.37 117.00 127.62 1k9s n LEU 100 Ca -0.08 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1k9s n LEU 100 Cb 0.57 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1k9s n LEU 100 CO 0.44 -0.58 0.00 0.54 -1.11 0.00 0.00 177.39 176.68 1k9s n ARG 101 N 1.24 0.00 -1.85 1.96 1.74 0.13 -4.96 116.66 114.92 1k9s n ARG 101 Ca 0.08 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 1k9s n ARG 101 Cb 0.33 -2.22 0.05 0.00 -1.02 0.00 0.00 32.46 29.61 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 -3.31 4.97 -0.20 0.55 1.11 -0.47 -4.62 116.67 114.71 1k9s s ASP 102 Ca 0.00 2.31 -0.08 0.00 0.18 0.00 0.00 52.55 54.96 1k9s s ASP 102 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1k9s s ASP 102 CO 0.00 -1.74 0.08 -0.69 1.18 0.00 0.00 175.17 174.00 1k9s s VAL 103 N -1.81 4.87 -0.04 -1.27 1.01 -1.26 -1.19 120.40 120.71 1k9s s VAL 103 Ca 0.75 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.79 1k9s s VAL 103 Cb -0.28 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1k9s s VAL 103 CO 0.37 0.43 -0.24 -0.69 0.00 0.00 0.00 175.10 174.97 1k9s s VAL 104 N 0.59 1.96 -0.18 2.92 1.01 0.38 -2.08 120.40 125.00 1k9s s VAL 104 Ca 0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1k9s s VAL 104 Cb -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1k9s s VAL 104 CO 0.01 0.55 -0.09 -0.63 0.00 0.00 0.00 175.10 174.94 1k9s s ILE 105 N -0.30 3.12 -0.87 2.22 1.01 0.70 -0.71 121.20 126.37 1k9s s ILE 105 Ca 0.01 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 1k9s s ILE 105 Cb -0.12 -2.38 0.09 0.00 0.01 0.00 0.00 42.46 40.06 1k9s s ILE 105 CO 0.02 0.47 1.17 -0.83 0.00 0.00 0.00 174.94 175.77 1k9s s GLY 106 N 1.07 1.57 0.43 6.18 0.00 -0.55 -1.36 107.32 114.64 1k9s s GLY 106 Ca 0.00 -2.33 0.23 0.00 0.00 0.00 0.00 44.72 42.62 1k9s s GLY 106 CO -0.02 2.22 1.81 0.00 0.00 0.00 0.00 173.10 177.12 1k9s h MET 107 N 9.32 0.00 -4.40 2.90 -0.00 -1.02 -3.40 114.93 118.32 1k9s h MET 107 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.54 1k9s h MET 107 Cb 1.03 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.49 1k9s h MET 107 CO 1.21 0.25 -0.63 0.20 -0.00 0.00 0.00 176.91 177.95 1k9s s GLY 108 N -4.29 0.98 -0.13 -3.00 0.00 -1.07 -1.51 107.32 98.29 1k9s s GLY 108 Ca 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 1k9s s GLY 108 CO 0.64 -1.33 0.24 0.00 0.00 0.00 0.00 173.10 172.65 1k9s s ALA 109 N -4.05 -0.45 0.74 3.20 0.00 -0.25 -1.40 121.76 119.55 1k9s s ALA 109 Ca 0.24 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1k9s s ALA 109 Cb 0.07 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.20 1k9s s ALA 109 CO 0.02 -0.72 1.11 0.00 0.00 0.00 0.00 175.76 176.17 1k9s s THR 111 N -3.41 0.00 -1.07 0.00 -1.32 -1.26 -0.43 115.64 108.15 1k9s s THR 111 Ca 0.60 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.21 1k9s s THR 111 Cb -0.11 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.29 1k9s s THR 111 CO 0.49 0.00 1.34 -0.90 -2.21 0.00 0.00 174.62 173.34 1k9s n ASP 112 N -0.06 3.28 -4.84 8.08 5.68 -1.21 -4.98 116.55 122.49 1k9s n ASP 112 Ca -0.12 -2.10 -0.32 0.00 -0.50 0.00 0.00 54.79 51.75 1k9s n ASP 112 Cb 0.62 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 -1.06 6.18 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.70 1k9s s SER 113 Ca 0.31 1.55 0.25 0.00 0.70 0.00 0.00 55.95 58.75 1k9s s SER 113 Cb 0.17 -2.49 0.39 0.00 -1.71 0.00 0.00 66.02 62.38 1k9s s SER 113 CO 0.19 -0.90 1.37 1.17 1.20 0.00 0.00 173.24 176.26 1k9s n LYS 114 N -2.33 1.95 -0.37 5.44 4.81 -1.26 -4.64 118.16 121.76 1k9s n LYS 114 Ca 0.07 -1.51 -0.00 0.00 -0.87 0.00 0.00 58.31 56.00 1k9s n LYS 114 Cb 0.54 -1.47 0.13 0.00 0.02 0.00 0.00 35.03 34.25 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 3.68 1.19 0.00 3.15 -1.51 -2.00 -1.71 116.25 119.06 1k9s h VAL 115 Ca 0.00 -0.44 -0.13 0.00 -1.23 0.00 0.00 66.70 64.90 1k9s h VAL 115 Cb 0.83 -0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 29.76 1k9s h VAL 115 CO 0.00 0.24 -0.61 0.78 -1.23 0.00 0.00 177.57 176.74 1k9s h ASN 116 N 1.29 0.00 -0.11 4.19 -0.26 -1.94 -2.38 115.58 116.37 1k9s h ASN 116 Ca 0.39 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.05 1k9s h ASN 116 Cb -0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 1k9s h ASN 116 CO -0.12 0.61 -0.18 0.03 -1.06 0.00 0.00 177.43 176.72 1k9s h ARG 117 N 0.00 0.50 -0.42 0.81 3.08 -1.66 0.28 114.38 116.97 1k9s h ARG 117 Ca -0.01 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 1k9s h ARG 117 Cb 1.27 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1k9s h ARG 117 CO 0.08 0.66 -0.17 0.82 -1.07 0.00 0.00 179.97 180.29 1k9s h ILE 118 N 0.46 1.27 -0.07 2.04 2.04 -1.04 0.11 117.51 122.32 1k9s h ILE 118 Ca 0.08 -1.27 -0.20 0.00 1.00 0.00 0.00 64.86 64.47 1k9s h ILE 118 Cb 0.57 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1k9s h ILE 118 CO 0.04 0.43 -0.79 0.03 0.00 0.00 0.00 178.15 177.86 1k9s h ARG 119 N 0.71 0.46 -0.89 2.37 3.08 -0.93 -3.37 114.38 115.80 1k9s h ARG 119 Ca 0.11 -0.40 -0.61 0.00 0.07 0.00 0.00 59.98 59.14 1k9s h ARG 119 Cb 0.67 0.09 -0.34 0.00 0.08 0.00 0.00 29.97 30.48 1k9s h ARG 119 CO 0.05 1.04 0.22 0.34 -1.07 0.00 0.00 179.97 180.55 1k9s n PHE 120 N -3.83 2.99 -3.92 3.04 7.35 0.93 -4.94 117.46 119.08 1k9s n PHE 120 Ca -0.05 -2.67 -0.31 0.00 -0.76 0.00 0.00 57.45 53.65 1k9s n PHE 120 Cb 0.74 -1.01 -0.01 0.00 0.35 0.00 0.00 39.48 39.56 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 -0.85 -3.68 -1.43 -4.13 5.02 -1.13 -1.31 118.16 110.64 1k9s n LYS 121 Ca 0.55 0.44 -0.15 0.00 -2.02 0.00 0.00 58.31 57.13 1k9s n LYS 121 Cb 0.81 -5.20 -0.06 0.00 -0.02 0.00 0.00 35.03 30.55 1k9s n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1k9s n ASP 122 N -2.58 -4.84 -3.49 4.39 2.03 0.38 -5.01 116.55 107.44 1k9s n ASP 122 Ca 0.05 0.37 -0.10 0.00 0.52 0.00 0.00 54.79 55.63 1k9s n ASP 122 Cb 0.51 -3.64 0.03 0.00 -0.72 0.00 0.00 41.12 37.30 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 -2.55 -2.65 -3.17 -0.67 8.25 -0.43 -5.01 115.22 108.99 1k9s n HIS 123 Ca -0.15 -1.07 -0.42 0.00 -0.26 0.00 0.00 57.72 55.82 1k9s n HIS 123 Cb 0.49 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 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 6.32 -0.25 0.41 1.11 -1.26 -4.60 116.67 115.57 1k9s s ASP 124 Ca 0.31 -0.26 -0.13 0.00 0.18 0.00 0.00 52.55 52.65 1k9s s ASP 124 Cb -0.02 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.63 1k9s s ASP 124 CO 0.20 -0.66 0.27 0.12 1.18 0.00 0.00 175.17 176.28 1k9s s PHE 125 N 2.61 3.29 -0.55 4.23 5.36 -1.26 -5.03 117.98 126.64 1k9s s PHE 125 Ca 0.20 0.34 -0.28 0.00 -0.96 0.00 0.00 56.93 56.23 1k9s s PHE 125 Cb -0.15 -2.42 0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1k9s s PHE 125 CO 0.16 -0.06 1.28 0.00 -1.46 0.00 0.00 175.22 175.14 1k9s s ALA 126 N 1.49 2.96 -0.53 11.12 0.00 -1.26 -4.95 121.76 130.59 1k9s s ALA 126 Ca 0.12 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 1k9s s ALA 126 Cb -0.15 -4.03 0.03 0.00 0.00 0.00 0.00 23.12 18.96 1k9s s ALA 126 CO 0.08 -2.67 1.24 0.00 0.00 0.00 0.00 175.76 174.40 1k9s s ALA 127 N 5.28 3.02 0.22 0.00 0.00 -1.26 -4.98 121.76 124.04 1k9s s ALA 127 Ca 0.48 -0.62 0.11 0.00 0.00 0.00 0.00 51.96 51.93 1k9s s ALA 127 Cb -0.09 -3.99 -0.05 0.00 0.00 0.00 0.00 23.12 18.99 1k9s s ALA 127 CO 0.27 -2.55 -0.20 0.96 0.00 0.00 0.00 175.76 174.23 1k9s s ILE 128 N 5.04 2.25 0.80 0.00 -4.36 -1.26 -1.09 121.20 122.58 1k9s s ILE 128 Ca 0.48 -2.18 -0.10 0.00 -0.26 0.00 0.00 60.65 58.58 1k9s s ILE 128 Cb -0.09 -2.14 0.10 0.00 1.25 0.00 0.00 42.46 41.59 1k9s s ILE 128 CO 0.28 -0.31 1.14 0.00 0.24 0.00 0.00 174.94 176.29 1k9s s ALA 129 N -2.20 2.80 0.02 2.27 0.00 -0.57 -4.84 121.76 119.23 1k9s s ALA 129 Ca 0.24 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1k9s s ALA 129 Cb -0.06 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1k9s s ALA 129 CO 0.11 -1.70 1.03 0.34 0.00 0.00 0.00 175.76 175.54 1k9s s ASP 130 N -4.63 7.31 0.17 0.00 2.15 -0.55 -4.96 116.67 116.15 1k9s s ASP 130 Ca 0.64 1.76 -0.15 0.00 0.43 0.00 0.00 52.55 55.23 1k9s s ASP 130 Cb -0.09 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.03 1k9s s ASP 130 CO 0.48 -0.30 1.80 0.15 -0.17 0.00 0.00 175.17 177.13 1k9s h PHE 131 N 6.70 0.47 -0.44 -5.34 3.57 -1.95 -1.99 116.94 117.96 1k9s h PHE 131 Ca -0.41 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 1k9s h PHE 131 Cb 1.22 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1k9s h PHE 131 CO 0.67 0.26 0.09 -0.44 -2.23 0.00 0.00 178.31 176.67 1k9s h ASP 132 N 0.51 0.62 -0.59 0.41 3.32 -1.99 -0.26 116.42 118.43 1k9s h ASP 132 Ca 0.18 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1k9s h ASP 132 Cb 0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1k9s h ASP 132 CO -0.10 0.63 0.07 0.24 -1.72 0.00 0.00 179.24 178.36 1k9s h MET 133 N 0.64 1.02 -0.02 3.56 2.86 -1.84 0.12 114.93 121.28 1k9s h MET 133 Ca 0.14 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1k9s h MET 133 Cb 0.27 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1k9s h MET 133 CO -0.00 0.96 0.01 0.28 1.06 0.00 0.00 176.91 179.22 1k9s h VAL 134 N 0.96 1.13 -0.55 -2.22 2.07 -0.66 -1.86 116.25 115.11 1k9s h VAL 134 Ca 0.19 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1k9s h VAL 134 Cb 0.46 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1k9s h VAL 134 CO 0.02 0.10 0.25 -0.09 0.02 0.00 0.00 177.57 177.86 1k9s h ARG 135 N -0.11 0.45 -0.89 1.57 2.43 -0.86 -0.74 114.38 116.23 1k9s h ARG 135 Ca 0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1k9s h ARG 135 Cb 0.15 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1k9s h ARG 135 CO -0.00 0.30 0.54 -0.91 -1.51 0.00 0.00 179.97 178.39 1k9s h ASN 136 N 0.47 1.06 -0.05 -3.80 2.35 -0.61 -1.07 115.58 113.93 1k9s h ASN 136 Ca 0.26 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.78 1k9s h ASN 136 Cb 0.23 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1k9s h ASN 136 CO -0.22 0.81 -0.56 0.00 -1.65 0.00 0.00 177.43 175.81 1k9s h ALA 137 N 1.37 0.63 -0.44 -0.83 0.00 -0.57 -0.90 119.26 118.52 1k9s h ALA 137 Ca 0.32 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1k9s h ALA 137 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1k9s h ALA 137 CO -0.06 0.69 0.03 0.28 0.00 0.00 0.00 179.25 180.19 1k9s h VAL 138 N 0.49 1.25 -0.45 0.00 2.07 -0.81 -1.05 116.25 117.76 1k9s h VAL 138 Ca 0.01 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 1k9s h VAL 138 Cb 1.12 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1k9s h VAL 138 CO 0.11 0.34 -0.15 0.44 0.02 0.00 0.00 177.57 178.33 1k9s h ASP 139 N 0.60 0.90 -0.54 0.57 3.32 -1.09 -1.11 116.42 119.07 1k9s h ASP 139 Ca 0.13 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1k9s h ASP 139 Cb 0.45 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1k9s h ASP 139 CO 0.02 1.08 0.24 0.00 -1.72 0.00 0.00 179.24 178.85 1k9s h ALA 140 N 0.86 0.70 -0.90 3.45 0.00 -1.11 -0.34 119.26 121.91 1k9s h ALA 140 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k9s h ALA 140 Cb 0.70 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1k9s h ALA 140 CO 0.05 0.29 0.58 0.00 0.00 0.00 0.00 179.25 180.17 1k9s h ALA 141 N 1.08 1.15 -0.37 0.00 0.00 -1.00 -1.53 119.26 118.59 1k9s h ALA 141 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1k9s h ALA 141 Cb 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1k9s h ALA 141 CO -0.02 0.57 0.16 -0.22 0.00 0.00 0.00 179.25 179.74 1k9s h LYS 142 N 1.23 0.55 -0.60 0.00 3.64 -0.75 0.36 116.57 121.00 1k9s h LYS 142 Ca 0.33 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1k9s h LYS 142 Cb -0.11 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 1k9s h LYS 142 CO -0.07 0.52 0.40 0.00 -2.27 0.00 0.00 179.45 178.03 1k9s h ALA 143 N 1.01 1.76 -0.10 5.00 0.00 -0.50 0.37 119.26 126.81 1k9s h ALA 143 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k9s h ALA 143 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1k9s h ALA 143 CO -0.01 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1k9s n LEU 144 N -4.47 1.08 -0.58 0.00 4.77 -0.63 -4.90 117.00 112.27 1k9s n LEU 144 Ca 0.08 -0.44 -0.07 0.00 -0.03 0.00 0.00 56.01 55.55 1k9s n LEU 144 Cb 0.20 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1k9s n LEU 144 CO 0.34 0.22 -0.07 0.61 -1.33 0.00 0.00 177.39 177.16 1k9s n GLY 145 N 1.03 0.80 3.35 -0.72 0.00 0.12 -5.01 105.19 104.75 1k9s n GLY 145 Ca 0.16 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.28 3.43 0.24 -0.61 1.01 0.12 -5.00 121.20 118.12 1k9s s ILE 146 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1k9s s ILE 146 Cb 0.00 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.84 1k9s s ILE 146 CO 0.00 0.44 0.82 1.51 0.00 0.00 0.00 174.94 177.71 1k9s s ASP 147 N 1.19 7.26 -0.01 3.58 1.47 -1.26 -3.56 116.67 125.34 1k9s s ASP 147 Ca 0.02 1.63 0.02 0.00 1.18 0.00 0.00 52.55 55.41 1k9s s ASP 147 Cb -0.14 -2.50 -0.00 0.00 -0.34 0.00 0.00 42.92 39.93 1k9s s ASP 147 CO -0.01 0.05 -0.06 0.00 0.68 0.00 0.00 175.17 175.83 1k9s s ALA 148 N -1.44 0.55 0.02 2.11 0.00 -1.26 -4.49 121.76 117.25 1k9s s ALA 148 Ca 0.43 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 1k9s s ALA 148 Cb -0.19 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 1k9s s ALA 148 CO 0.24 0.12 0.42 1.03 0.00 0.00 0.00 175.76 177.57 1k9s s ARG 149 N -0.08 3.91 -0.14 0.00 0.52 -0.88 -4.93 118.95 117.34 1k9s s ARG 149 Ca 0.02 0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 55.62 1k9s s ARG 149 Cb -0.03 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 1k9s s ARG 149 CO -0.00 0.66 -0.13 0.08 0.02 0.00 0.00 175.30 175.93 1k9s s VAL 150 N -1.14 2.97 0.00 3.52 1.01 -1.26 -0.22 120.40 125.28 1k9s s VAL 150 Ca 0.26 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1k9s s VAL 150 Cb -0.16 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1k9s s VAL 150 CO 0.14 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1k9s n GLY 151 N 3.75 1.13 3.83 4.51 0.00 -0.47 -4.92 105.19 113.03 1k9s n GLY 151 Ca -0.18 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 2.00 6.86 0.41 1.61 0.01 -1.26 -0.37 114.94 124.19 1k9s s ASN 152 Ca 0.00 1.02 0.08 0.00 -0.71 0.00 0.00 52.86 53.24 1k9s s ASN 152 Cb 0.00 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1k9s s ASN 152 CO 0.00 0.31 0.33 -0.76 -1.51 0.00 0.00 177.10 175.47 1k9s s LEU 153 N -1.12 3.36 -0.11 0.60 1.43 -0.50 -0.89 118.68 121.45 1k9s s LEU 153 Ca 0.25 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1k9s s LEU 153 Cb -0.17 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1k9s s LEU 153 CO 0.15 -0.60 -0.10 0.12 0.23 0.00 0.00 176.35 176.14 1k9s s PHE 154 N -2.48 1.63 -0.47 0.29 2.19 -0.21 -0.62 117.98 118.31 1k9s s PHE 154 Ca 0.46 -0.82 -0.17 0.00 0.33 0.00 0.00 56.93 56.74 1k9s s PHE 154 Cb -0.02 -1.29 0.06 0.00 -1.31 0.00 0.00 43.02 40.45 1k9s s PHE 154 CO 0.27 -0.51 0.45 -1.12 1.83 0.00 0.00 175.22 176.14 1k9s s SER 155 N 1.50 6.17 0.17 6.13 0.01 0.43 -0.95 113.70 127.17 1k9s s SER 155 Ca 0.02 -1.11 -0.14 0.00 1.31 0.00 0.00 55.95 56.03 1k9s s SER 155 Cb -0.13 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 1k9s s SER 155 CO -0.07 -0.69 0.58 0.00 0.41 0.00 0.00 173.24 173.47 1k9s s ALA 156 N 1.96 3.55 0.00 1.44 0.00 0.24 -3.35 121.76 125.61 1k9s s ALA 156 Ca 0.08 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.00 1k9s s ALA 156 Cb -0.22 -2.55 -0.23 0.00 0.00 0.00 0.00 23.12 20.12 1k9s s ALA 156 CO 0.09 0.44 0.85 -0.44 0.00 0.00 0.00 175.76 176.70 1k9s h ASP 157 N 3.36 0.09 -3.75 0.00 5.19 -1.89 -3.40 116.42 116.01 1k9s h ASP 157 Ca -0.48 -0.15 -0.68 0.00 -0.62 0.00 0.00 57.03 55.09 1k9s h ASP 157 Cb 1.19 -0.03 -0.33 0.00 0.18 0.00 0.00 39.33 40.34 1k9s h ASP 157 CO 0.66 1.13 -0.69 -0.76 -3.12 0.00 0.00 179.24 176.46 1k9s s LEU 158 N -6.47 4.01 0.32 1.55 1.43 -1.26 -4.93 118.68 113.33 1k9s s LEU 158 Ca -0.05 -1.31 0.03 0.00 -1.03 0.00 0.00 54.13 51.77 1k9s s LEU 158 Cb 0.08 -1.73 0.56 0.00 0.03 0.00 0.00 46.19 45.13 1k9s s LEU 158 CO 0.83 -0.28 1.87 0.15 0.23 0.00 0.00 176.35 179.15 1k9s h PHE 159 N 8.02 0.63 -3.14 0.29 3.04 -1.98 -3.11 116.94 120.69 1k9s h PHE 159 Ca -0.21 -0.06 -0.75 0.00 3.98 0.00 0.00 57.97 60.94 1k9s h PHE 159 Cb 1.06 -0.19 -0.32 0.00 2.56 0.00 0.00 35.95 39.06 1k9s h PHE 159 CO 0.61 0.57 0.24 0.66 -2.02 0.00 0.00 178.31 178.38 1k9s n TYR 160 N -4.29 3.91 -2.58 0.41 4.01 -1.26 -5.05 117.16 112.31 1k9s n TYR 160 Ca 0.02 -3.65 -0.41 0.00 -0.16 0.00 0.00 57.90 53.71 1k9s n TYR 160 Cb 0.23 -1.26 -0.05 0.00 -0.31 0.00 0.00 39.34 37.95 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 -0.48 7.38 0.00 7.72 0.15 -1.18 -4.93 113.70 122.36 1k9s s SER 161 Ca 0.31 2.07 0.30 0.00 0.70 0.00 0.00 55.95 59.33 1k9s s SER 161 Cb -0.02 -2.61 1.40 0.00 -1.71 0.00 0.00 66.02 63.09 1k9s s SER 161 CO -0.04 -0.09 1.99 -0.81 1.20 0.00 0.00 173.24 175.49 1k9s n PRO 162 N 1.90 0.35 -3.43 5.44 -0.04 -1.26 -4.45 135.00 133.52 1k9s n PRO 162 Ca 0.01 -0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 1k9s n PRO 162 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.66 6.66 0.44 3.54 2.15 -1.26 -4.90 116.67 120.64 1k9s s ASP 163 Ca 0.25 -3.22 0.12 0.00 0.43 0.00 0.00 52.55 50.13 1k9s s ASP 163 Cb 0.20 -2.12 0.98 0.00 -0.30 0.00 0.00 42.92 41.68 1k9s s ASP 163 CO 0.48 -0.38 2.01 1.23 -0.17 0.00 0.00 175.17 178.35 1k9s h GLY 164 N 6.98 0.15 1.77 2.66 0.00 -2.02 -2.90 103.07 109.70 1k9s h GLY 164 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.42 1k9s h GLY 164 CO 0.86 0.07 0.08 -2.09 0.00 0.00 0.00 176.54 175.46 1k9s h GLU 165 N 0.13 0.00 -0.63 4.80 4.81 -1.97 -2.99 114.58 118.73 1k9s h GLU 165 Ca 0.03 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1k9s h GLU 165 Cb 0.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1k9s h GLU 165 CO 0.01 0.00 0.43 1.98 -0.73 0.00 0.00 179.01 180.70 1k9s h MET 166 N 0.00 0.40 -0.31 1.92 4.05 -1.94 -1.25 114.93 117.79 1k9s h MET 166 Ca 0.05 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 1k9s h MET 166 Cb 0.22 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1k9s h MET 166 CO -0.00 0.26 0.11 0.74 0.23 0.00 0.00 176.91 178.26 1k9s h PHE 167 N 0.41 0.43 -0.23 1.39 0.04 -1.75 0.41 116.94 117.63 1k9s h PHE 167 Ca 0.30 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.90 1k9s h PHE 167 Cb 0.61 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1k9s h PHE 167 CO -0.00 0.35 -0.51 -0.44 -0.60 0.00 0.00 178.31 177.11 1k9s h ASP 168 N 0.43 0.71 -0.42 2.17 3.32 -1.43 -1.19 116.42 120.01 1k9s h ASP 168 Ca 0.11 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1k9s h ASP 168 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1k9s h ASP 168 CO -0.01 1.09 0.11 0.58 -1.72 0.00 0.00 179.24 179.29 1k9s h VAL 169 N 0.51 1.23 -0.52 -1.35 2.07 -1.22 -0.33 116.25 116.63 1k9s h VAL 169 Ca 0.02 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1k9s h VAL 169 Cb 1.06 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1k9s h VAL 169 CO 0.10 0.27 0.31 0.24 0.02 0.00 0.00 177.57 178.52 1k9s h MET 170 N 0.54 0.60 -0.59 1.57 2.86 -0.78 -1.36 114.93 117.78 1k9s h MET 170 Ca 0.13 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1k9s h MET 170 Cb 0.30 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1k9s h MET 170 CO 0.00 0.40 0.23 1.49 1.06 0.00 0.00 176.91 180.09 1k9s h GLU 171 N 0.62 0.89 -0.92 1.72 4.81 -0.94 -1.80 114.58 118.96 1k9s h GLU 171 Ca 0.21 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1k9s h GLU 171 Cb 0.02 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 1k9s h GLU 171 CO -0.09 0.76 0.61 -0.22 -0.73 0.00 0.00 179.01 179.34 1k9s h LYS 172 N 0.82 1.14 -0.55 1.92 3.64 -0.52 -2.28 116.57 120.73 1k9s h LYS 172 Ca 0.20 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1k9s h LYS 172 Cb 0.21 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1k9s h LYS 172 CO -0.02 0.75 0.00 0.66 -2.27 0.00 0.00 179.45 178.58 1k9s n TYR 173 N -4.44 0.75 -1.16 1.91 4.01 -0.56 -4.93 117.16 112.75 1k9s n TYR 173 Ca 0.12 -0.31 -0.05 0.00 -0.16 0.00 0.00 57.90 57.50 1k9s n TYR 173 Cb 0.09 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 1k9s n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k9s n GLY 174 N 0.78 0.79 3.70 2.72 0.00 -0.86 -4.99 105.19 107.33 1k9s n GLY 174 Ca 0.13 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1k9s n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k9s n ILE 175 N -2.82 0.10 0.06 -0.61 2.08 -0.71 -4.66 119.36 112.80 1k9s n ILE 175 Ca -0.05 -0.02 -0.11 0.00 0.56 0.00 0.00 62.75 63.12 1k9s n ILE 175 Cb 0.19 -1.89 -0.13 0.00 -0.75 0.00 0.00 39.64 37.06 1k9s n ILE 175 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1k9s h LEU 176 N 7.01 0.19 -7.11 1.39 3.38 -1.36 -3.41 115.31 115.39 1k9s h LEU 176 Ca -0.44 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.23 1k9s h LEU 176 Cb 1.22 -0.06 -0.19 0.00 0.09 0.00 0.00 40.66 41.72 1k9s h LEU 176 CO 0.94 1.18 0.09 -0.83 0.09 0.00 0.00 178.44 179.91 1k9s s GLY 177 N -4.80 -0.49 -0.22 0.83 0.00 -1.25 -4.56 107.32 96.83 1k9s s GLY 177 Ca -0.03 1.06 -0.04 0.00 0.00 0.00 0.00 44.72 45.71 1k9s s GLY 177 CO 0.84 0.73 -0.02 0.14 0.00 0.00 0.00 173.10 174.80 1k9s s VAL 178 N -1.38 3.59 0.00 1.40 1.01 0.13 -1.05 120.40 124.10 1k9s s VAL 178 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1k9s s VAL 178 Cb -0.01 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1k9s s VAL 178 CO 0.07 0.41 0.00 -1.84 0.00 0.00 0.00 175.10 173.75 1k9s n GLU 179 N 4.73 0.27 -0.38 2.72 -0.00 -0.12 -1.11 120.64 126.73 1k9s n GLU 179 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1k9s n GLU 179 Cb 0.51 0.00 0.00 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 0.00 0.00 3.44 2.81 -1.26 -0.59 117.12 121.52 1k9s n MET 180 Ca 0.00 -0.85 0.00 0.00 -1.81 0.00 0.00 57.70 55.04 1k9s n MET 180 Cb 0.00 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 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 0.00 0.25 -0.29 0.03 4.71 -1.26 -1.87 120.64 122.21 1k9s n GLU 181 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 1k9s n GLU 181 Cb 0.65 -0.55 0.10 0.00 -1.01 0.00 0.00 31.44 30.62 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 0.50 -0.41 0.62 0.00 -1.94 0.06 119.26 118.09 1k9s h ALA 182 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1k9s h ALA 182 Cb 0.10 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1k9s h ALA 182 CO 0.00 -0.42 0.27 0.00 0.00 0.00 0.00 179.25 179.10 1k9s h ALA 183 N 1.77 1.75 -0.20 0.00 0.00 -1.84 -0.23 119.26 120.52 1k9s h ALA 183 Ca 0.39 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 1k9s h ALA 183 Cb 0.60 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1k9s h ALA 183 CO -0.85 0.22 -0.65 0.78 0.00 0.00 0.00 179.25 178.75 1k9s h GLY 184 N 0.51 0.86 1.00 0.00 0.00 -1.36 -1.84 103.07 102.24 1k9s h GLY 184 Ca 0.16 -1.14 -0.08 0.00 0.00 0.00 0.00 47.33 46.27 1k9s h GLY 184 CO -0.04 1.01 -0.00 -2.22 0.00 0.00 0.00 176.54 175.30 1k9s h ILE 185 N 0.52 1.26 -0.27 2.60 2.04 -0.89 -1.74 117.51 121.03 1k9s h ILE 185 Ca -0.03 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 1k9s h ILE 185 Cb 1.27 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1k9s h ILE 185 CO 0.14 0.37 -0.12 1.88 0.00 0.00 0.00 178.15 180.42 1k9s h TYR 186 N 0.69 0.49 -0.41 1.37 0.05 -1.06 0.01 116.97 118.12 1k9s h TYR 186 Ca 0.13 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1k9s h TYR 186 Cb 0.51 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1k9s h TYR 186 CO 0.04 0.57 -0.07 0.78 -1.05 0.00 0.00 178.16 178.43 1k9s h GLY 187 N 0.90 0.83 0.92 3.88 0.00 -1.06 -1.95 103.07 106.59 1k9s h GLY 187 Ca 0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1k9s h GLY 187 CO 0.03 0.61 0.09 -2.08 0.00 0.00 0.00 176.54 175.18 1k9s h VAL 188 N 0.59 1.22 -0.66 4.60 2.07 -1.00 -0.32 116.25 122.76 1k9s h VAL 188 Ca 0.11 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.92 1k9s h VAL 188 Cb 0.59 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1k9s h VAL 188 CO 0.03 0.26 0.39 0.00 0.02 0.00 0.00 177.57 178.27 1k9s h ALA 189 N 0.93 0.87 -0.44 1.67 0.00 -0.92 -0.09 119.26 121.28 1k9s h ALA 189 Ca 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1k9s h ALA 189 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1k9s h ALA 189 CO 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 179.25 179.20 1k9s h ALA 190 N 1.31 0.61 -0.77 0.00 0.00 -1.22 0.43 119.26 119.62 1k9s h ALA 190 Ca 0.28 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1k9s h ALA 190 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1k9s h ALA 190 CO -0.14 0.55 0.28 1.49 0.00 0.00 0.00 179.25 181.43 1k9s h GLU 191 N 0.72 1.17 -0.48 0.00 4.81 -0.37 -3.21 114.58 117.22 1k9s h GLU 191 Ca 0.10 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1k9s h GLU 191 Cb 0.72 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1k9s h GLU 191 CO 0.06 0.97 0.00 1.19 -0.73 0.00 0.00 179.01 180.49 1k9s n PHE 192 N -4.27 0.77 -3.14 0.92 3.72 -0.11 -5.00 117.46 110.36 1k9s n PHE 192 Ca 0.07 -0.54 -0.15 0.00 -0.05 0.00 0.00 57.45 56.78 1k9s n PHE 192 Cb 0.20 -0.07 0.05 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.82 0.02 2.18 1.37 0.00 -0.31 -4.99 105.19 104.27 1k9s n GLY 193 Ca 0.18 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.94 0.36 -2.48 4.61 0.00 -0.01 -5.03 120.51 114.01 1k9s n ALA 194 Ca -0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 53.44 51.83 1k9s n ALA 194 Cb 0.54 0.65 -0.16 0.00 0.00 0.00 0.00 19.45 20.48 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 -3.18 1.86 0.07 0.00 1.02 -0.74 -4.53 119.74 114.24 1k9s s LYS 195 Ca 0.08 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 1k9s s LYS 195 Cb -0.01 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 1k9s s LYS 195 CO 0.05 0.44 0.05 0.00 -0.92 0.00 0.00 175.35 174.97 1k9s s ALA 196 N -0.43 0.29 -0.13 5.17 0.00 -1.26 -1.39 121.76 124.01 1k9s s ALA 196 Ca 0.06 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1k9s s ALA 196 Cb -0.09 0.38 0.04 0.00 0.00 0.00 0.00 23.12 23.45 1k9s s ALA 196 CO -0.00 -0.42 0.44 -1.17 0.00 0.00 0.00 175.76 174.61 1k9s s LEU 197 N -2.91 0.31 -0.12 0.00 2.96 -0.57 -1.48 118.68 116.86 1k9s s LEU 197 Ca 0.07 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 1k9s s LEU 197 Cb 0.07 1.58 0.01 0.00 0.50 0.00 0.00 46.19 48.35 1k9s s LEU 197 CO -0.10 -0.26 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.56 1k9s s THR 198 N -0.22 2.06 -0.05 3.68 2.01 -1.26 -0.75 115.64 121.12 1k9s s THR 198 Ca -0.04 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.03 1k9s s THR 198 Cb -0.03 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1k9s s THR 198 CO 0.02 0.55 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.62 1k9s s ILE 199 N 0.63 2.05 0.11 1.82 1.01 -0.08 -1.49 121.20 125.25 1k9s s ILE 199 Ca -0.12 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.50 1k9s s ILE 199 Cb -0.16 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1k9s s ILE 199 CO 0.02 0.57 -0.10 0.00 0.00 0.00 0.00 174.94 175.43 1k9s s THR 201 N -2.64 3.30 -0.35 0.00 2.01 -0.42 -0.47 115.64 117.07 1k9s s THR 201 Ca 0.09 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 1k9s s THR 201 Cb -0.02 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 1k9s s THR 201 CO 0.00 0.54 1.53 -0.69 -0.69 0.00 0.00 174.62 175.32 1k9s s VAL 202 N 0.00 3.78 -0.80 3.82 1.01 -0.33 -1.70 120.40 126.19 1k9s s VAL 202 Ca -0.03 0.82 0.18 0.00 0.00 0.00 0.00 61.98 62.96 1k9s s VAL 202 Cb -0.14 -3.97 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 1k9s s VAL 202 CO 0.04 -0.56 0.75 -1.54 0.00 0.00 0.00 175.10 173.79 1k9s n SER 203 N 9.00 0.85 -3.64 3.32 3.41 -0.49 0.22 113.62 126.30 1k9s n SER 203 Ca 0.18 -0.85 -0.15 0.00 -0.26 0.00 0.00 58.87 57.79 1k9s n SER 203 Cb 0.47 1.08 -0.08 0.00 -0.26 0.00 0.00 64.21 65.42 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 -2.87 -0.52 -0.20 4.04 1.47 -1.22 -2.01 116.67 115.35 1k9s s ASP 204 Ca 0.06 0.71 -0.00 0.00 1.18 0.00 0.00 52.55 54.49 1k9s s ASP 204 Cb 0.14 0.70 0.02 0.00 -0.34 0.00 0.00 42.92 43.43 1k9s s ASP 204 CO 0.76 -0.42 -0.14 -2.28 0.68 0.00 0.00 175.17 173.76 1k9s s HIS 205 N -0.70 2.88 0.44 2.11 2.46 -0.62 -1.07 115.29 120.79 1k9s s HIS 205 Ca -0.08 -1.51 0.16 0.00 0.47 0.00 0.00 55.06 54.10 1k9s s HIS 205 Cb -0.03 -1.98 1.07 0.00 -0.13 0.00 0.00 32.58 31.51 1k9s s HIS 205 CO 0.05 -0.75 2.00 0.82 -2.47 0.00 0.00 174.74 174.40 1k9s h ILE 206 N 5.95 1.05 0.08 0.89 2.04 -1.48 -0.04 117.51 126.00 1k9s h ILE 206 Ca -0.42 -0.62 -0.30 0.00 1.00 0.00 0.00 64.86 64.52 1k9s h ILE 206 Cb 1.14 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1k9s h ILE 206 CO 0.62 0.17 -1.58 0.03 0.00 0.00 0.00 178.15 177.39 1k9s h ARG 207 N 0.00 0.18 0.00 2.37 2.47 -1.87 -3.38 114.38 114.15 1k9s h ARG 207 Ca -0.00 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1k9s h ARG 207 Cb 0.33 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1k9s h ARG 207 CO 0.02 1.15 -0.34 0.25 0.56 0.00 0.00 179.97 181.61 1k9s n THR 208 N -3.92 0.18 -0.90 2.04 -2.24 -1.23 -4.93 114.28 103.28 1k9s n THR 208 Ca -0.30 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1k9s n THR 208 Cb 0.89 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1k9s n THR 208 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1k9s n HIS 209 N -1.78 0.00 -2.06 4.78 8.25 -0.03 -4.99 115.22 119.39 1k9s n HIS 209 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 1k9s n HIS 209 Cb 0.38 -0.71 0.02 0.00 1.12 0.00 0.00 29.99 30.80 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 -0.61 3.08 -0.05 -0.41 2.02 -1.23 -4.82 118.70 116.67 1k9s s GLU 210 Ca 0.00 1.67 -0.10 0.00 0.02 0.00 0.00 54.97 56.56 1k9s s GLU 210 Cb 0.00 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.29 1k9s s GLU 210 CO 0.00 -1.08 0.25 -0.65 0.02 0.00 0.00 175.26 173.80 1k9s s GLN 211 N -3.44 0.45 0.43 1.61 -0.21 -1.26 -1.58 119.66 115.66 1k9s s GLN 211 Ca 0.74 0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.93 1k9s s GLN 211 Cb -0.26 0.20 -0.09 0.00 1.00 0.00 0.00 33.01 33.86 1k9s s GLN 211 CO 0.32 -0.10 1.03 0.95 -2.12 0.00 0.00 175.29 175.37 1k9s s THR 212 N -0.62 3.86 0.57 -0.19 -4.23 -0.85 -5.02 115.64 109.17 1k9s s THR 212 Ca -0.07 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.74 1k9s s THR 212 Cb -0.04 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.32 1k9s s THR 212 CO 0.02 -0.13 0.78 0.35 -0.54 0.00 0.00 174.62 175.10 1k9s n THR 213 N -0.48 0.00 -0.06 3.99 -2.24 -1.26 -4.90 114.28 109.33 1k9s n THR 213 Ca 0.07 -1.34 -0.07 0.00 -2.27 0.00 0.00 64.05 60.44 1k9s n THR 213 Cb 0.51 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 1k9s n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9s h ALA 214 N -0.44 0.09 0.31 6.98 0.00 -2.01 -2.68 119.26 121.52 1k9s h ALA 214 Ca -0.26 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1k9s h ALA 214 Cb 1.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1k9s h ALA 214 CO 0.29 -0.53 -0.15 0.00 0.00 0.00 0.00 179.25 178.87 1k9s h ALA 215 N 1.13 -0.41 -0.97 0.00 0.00 -2.02 -2.80 119.26 114.18 1k9s h ALA 215 Ca 0.13 -0.12 0.28 0.00 0.00 0.00 0.00 54.91 55.21 1k9s h ALA 215 Cb 0.29 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1k9s h ALA 215 CO -0.31 -0.69 0.73 0.93 0.00 0.00 0.00 179.25 179.92 1k9s h GLU 216 N -0.51 0.00 0.00 0.00 5.08 -1.91 -2.87 114.58 114.37 1k9s h GLU 216 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1k9s h GLU 216 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1k9s h GLU 216 CO 0.07 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.95 1k9s n ARG 217 N -4.13 0.00 -0.32 2.33 3.00 -1.02 -2.75 116.66 113.76 1k9s n ARG 217 Ca 0.20 0.10 0.16 0.00 -0.00 0.00 0.00 57.85 58.31 1k9s n ARG 217 Cb 1.07 -1.05 0.30 0.00 0.00 0.00 0.00 32.46 32.78 1k9s n ARG 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1k9s n GLN 218 N -0.79 -0.07 0.32 -0.14 3.00 -1.10 0.04 117.38 118.63 1k9s n GLN 218 Ca 0.00 1.39 -0.17 0.00 -0.01 0.00 0.00 57.00 58.21 1k9s n GLN 218 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 30.24 27.91 1k9s n GLN 218 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 1k9s h THR 219 N 0.00 0.21 0.00 5.09 1.35 -1.59 0.80 112.91 118.76 1k9s h THR 219 Ca 0.59 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.39 1k9s h THR 219 Cb 1.27 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1k9s h THR 219 CO -0.87 0.00 -0.27 0.74 -0.25 0.00 0.00 175.52 174.87 1k9s h THR 220 N -0.91 0.51 -0.59 6.82 2.02 -1.17 -2.85 112.91 116.74 1k9s h THR 220 Ca -0.06 -1.53 -0.09 0.00 0.77 0.00 0.00 66.41 65.50 1k9s h THR 220 Cb 0.76 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 1k9s h THR 220 CO 0.03 0.27 0.03 0.15 0.37 0.00 0.00 175.52 176.37 1k9s h PHE 221 N 0.00 1.08 -0.69 3.16 3.57 -0.22 -2.73 116.94 121.11 1k9s h PHE 221 Ca -0.00 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.27 1k9s h PHE 221 Cb 1.08 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1k9s h PHE 221 CO 0.00 0.95 0.20 -0.91 -2.23 0.00 0.00 178.31 176.32 1k9s h ASN 222 N 0.93 1.00 -0.64 0.41 2.35 -0.60 -2.02 115.58 117.01 1k9s h ASN 222 Ca 0.17 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1k9s h ASN 222 Cb 0.50 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1k9s h ASN 222 CO 0.02 0.93 0.31 0.44 -1.65 0.00 0.00 177.43 177.49 1k9s h ASP 223 N 1.02 0.83 -0.57 5.81 3.32 -1.43 -0.96 116.42 124.45 1k9s h ASP 223 Ca 0.22 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1k9s h ASP 223 Cb 0.30 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1k9s h ASP 223 CO -0.01 0.73 0.20 -0.03 -1.72 0.00 0.00 179.24 178.41 1k9s h MET 224 N 0.88 0.88 -0.60 3.56 1.85 -1.33 -1.07 114.93 119.10 1k9s h MET 224 Ca 0.22 -0.18 -0.03 0.00 -0.61 0.00 0.00 59.70 59.10 1k9s h MET 224 Cb 0.11 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 31.98 1k9s h MET 224 CO -0.03 0.78 0.26 0.82 -0.40 0.00 0.00 176.91 178.35 1k9s h ILE 225 N 0.80 1.22 -0.69 1.77 1.08 -1.01 -1.09 117.51 119.59 1k9s h ILE 225 Ca 0.19 -0.65 -0.06 0.00 -0.39 0.00 0.00 64.86 63.94 1k9s h ILE 225 Cb 0.25 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 1k9s h ILE 225 CO -0.01 0.26 0.20 0.11 -0.69 0.00 0.00 178.15 178.02 1k9s h LYS 226 N 0.82 1.07 -0.11 2.37 1.57 -0.92 -0.17 116.57 121.21 1k9s h LYS 226 Ca 0.20 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1k9s h LYS 226 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1k9s h LYS 226 CO -0.02 0.93 0.07 0.82 -0.57 0.00 0.00 179.45 180.67 1k9s h ILE 227 N 1.03 1.06 -0.03 1.86 2.04 -0.89 -0.30 117.51 122.27 1k9s h ILE 227 Ca 0.22 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1k9s h ILE 227 Cb 0.32 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1k9s h ILE 227 CO -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 178.15 178.18 1k9s h ALA 228 N 1.00 0.01 -0.11 1.87 0.00 -0.81 0.83 119.26 122.05 1k9s h ALA 228 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k9s h ALA 228 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1k9s h ALA 228 CO -0.01 -0.51 0.06 -0.07 0.00 0.00 0.00 179.25 178.73 1k9s h LEU 229 N -0.02 0.14 -1.46 0.00 3.38 -0.93 -2.43 115.31 113.99 1k9s h LEU 229 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1k9s h LEU 229 Cb 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1k9s h LEU 229 CO -0.05 0.19 -0.18 -0.33 0.09 0.00 0.00 178.44 178.16 1k9s h GLU 230 N 0.08 0.12 -0.17 1.13 4.39 -0.94 -2.01 114.58 117.19 1k9s h GLU 230 Ca 0.04 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1k9s h GLU 230 Cb 0.08 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1k9s h GLU 230 CO -0.01 0.31 -0.25 0.66 -1.16 0.00 0.00 179.01 178.56 1k9s h SER 231 N 0.11 0.30 -0.47 1.42 4.64 -0.49 -2.04 113.55 117.02 1k9s h SER 231 Ca 0.02 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1k9s h SER 231 Cb 0.40 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1k9s h SER 231 CO 0.03 0.56 0.13 0.58 -0.87 0.00 0.00 176.83 177.26 1k9s h VAL 232 N 0.27 1.23 -0.73 0.95 2.07 -0.89 -1.24 116.25 117.92 1k9s h VAL 232 Ca 0.04 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1k9s h VAL 232 Cb 0.59 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1k9s h VAL 232 CO 0.04 0.28 0.32 -0.07 0.02 0.00 0.00 177.57 178.16 1k9s h LEU 233 N 0.62 0.96 -0.88 2.57 3.38 -1.30 -1.29 115.31 119.38 1k9s h LEU 233 Ca 0.15 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1k9s h LEU 233 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1k9s h LEU 233 CO -0.00 0.83 -0.03 -0.07 0.09 0.00 0.00 178.44 179.26 1k9s h LEU 234 N 1.04 0.77 -1.14 1.67 3.38 -1.13 -2.80 115.31 117.10 1k9s h LEU 234 Ca 0.25 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1k9s h LEU 234 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1k9s h LEU 234 CO -0.03 0.86 0.25 1.23 0.09 0.00 0.00 178.44 180.84 1k9s h GLY 235 N 0.97 0.92 2.00 0.83 0.00 -0.16 0.09 103.07 107.73 1k9s h GLY 235 Ca 0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1k9s h GLY 235 CO 0.02 0.43 -0.10 -0.55 0.00 0.00 0.00 176.54 176.35 1k9s h ASP 236 N 0.85 0.00 0.00 0.19 3.32 -1.04 -3.51 116.42 116.23 1k9s h ASP 236 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1k9s h ASP 236 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1k9s h ASP 236 CO -0.02 0.10 0.00 0.29 -1.72 0.00 0.00 179.24 177.89