#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 0.64 -0.87 0.00 -4.23 -0.44 -4.99 115.64 105.75 1k9s s THR 2 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1k9s s THR 2 Cb 0.00 -2.31 0.14 0.00 1.34 0.00 0.00 72.50 71.67 1k9s s THR 2 CO 0.00 0.00 1.50 -2.65 -0.54 0.00 0.00 174.62 172.93 1k9s n PRO 3 N -0.96 0.04 -0.00 3.99 -0.02 -1.26 -3.31 135.00 133.48 1k9s n PRO 3 Ca -0.08 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1k9s n PRO 3 Cb 0.65 -1.59 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.67 0.00 -3.75 6.00 8.25 -1.26 -4.96 115.22 117.83 1k9s n HIS 4 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1k9s n HIS 4 Cb 0.17 -0.09 -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 -2.12 0.42 -1.21 1.59 1.01 -1.21 -4.63 121.20 115.06 1k9s s ILE 5 Ca -0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1k9s s ILE 5 Cb 0.05 -0.72 0.20 0.00 0.01 0.00 0.00 42.46 42.00 1k9s s ILE 5 CO 0.29 0.07 1.53 -0.46 0.00 0.00 0.00 174.94 176.38 1k9s n ASN 6 N 5.12 5.37 -3.75 3.58 6.94 -1.26 -1.33 115.26 129.93 1k9s n ASN 6 Ca -0.08 -3.08 -0.09 0.00 -0.02 0.00 0.00 54.58 51.31 1k9s n ASN 6 Cb 0.49 -1.48 -0.03 0.00 -2.36 0.00 0.00 39.78 36.40 1k9s n ASN 6 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k9s s ALA 7 N 0.28 -0.52 0.22 -2.53 0.00 -1.26 -4.63 121.76 113.31 1k9s s ALA 7 Ca 0.39 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.68 1k9s s ALA 7 Cb 0.01 0.96 -0.05 0.00 0.00 0.00 0.00 23.12 24.04 1k9s s ALA 7 CO 0.00 -0.93 -0.12 -1.21 0.00 0.00 0.00 175.76 173.51 1k9s s GLU 8 N -3.68 1.38 -0.02 0.00 0.41 -1.26 -2.23 118.70 113.30 1k9s s GLU 8 Ca 0.19 -1.64 -0.38 0.00 -0.41 0.00 0.00 54.97 52.73 1k9s s GLU 8 Cb -0.03 -1.12 -0.16 0.00 -1.78 0.00 0.00 34.13 31.03 1k9s s GLU 8 CO 0.10 0.15 1.48 -0.12 -0.49 0.00 0.00 175.26 176.37 1k9s n MET 9 N -0.43 1.20 0.00 1.61 0.00 -1.26 -0.99 117.12 117.25 1k9s n MET 9 Ca -0.07 0.44 0.00 0.00 -0.00 0.00 0.00 57.70 58.06 1k9s n MET 9 Cb 0.61 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.73 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 3.08 2.18 0.23 -5.12 0.00 -1.26 -4.94 105.19 99.36 1k9s n GLY 10 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 0.57 0.00 -3.30 1.61 3.32 -1.44 -3.43 116.42 113.74 1k9s h ASP 11 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1k9s h ASP 11 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1k9s h ASP 11 CO 0.00 0.21 -0.63 -0.36 -1.72 0.00 0.00 179.24 176.74 1k9s s PHE 12 N -3.85 3.12 1.11 4.55 0.08 -1.26 -4.71 117.98 117.02 1k9s s PHE 12 Ca -0.01 0.11 -0.17 0.00 0.12 0.00 0.00 56.93 56.98 1k9s s PHE 12 Cb 0.11 -1.68 0.25 0.00 -0.57 0.00 0.00 43.02 41.13 1k9s s PHE 12 CO 0.63 0.48 1.14 0.00 -0.10 0.00 0.00 175.22 177.37 1k9s s ALA 13 N -1.11 1.01 -0.84 5.36 0.00 -1.26 -4.93 121.76 119.98 1k9s s ALA 13 Ca 0.20 -0.86 0.27 0.00 0.00 0.00 0.00 51.96 51.57 1k9s s ALA 13 Cb -0.12 -2.92 0.99 0.00 0.00 0.00 0.00 23.12 21.08 1k9s s ALA 13 CO 0.11 -3.18 1.83 -0.40 0.00 0.00 0.00 175.76 174.12 1k9s n ASP 14 N -4.43 0.45 -4.19 0.00 5.75 -1.26 -4.64 116.55 108.23 1k9s n ASP 14 Ca 0.12 0.55 -0.29 0.00 -0.01 0.00 0.00 54.79 55.15 1k9s n ASP 14 Cb 0.59 -0.67 -0.16 0.00 -1.03 0.00 0.00 41.12 39.85 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 -3.06 1.75 -0.06 2.12 1.01 -1.26 -0.39 120.40 120.52 1k9s s VAL 15 Ca 0.12 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1k9s s VAL 15 Cb 0.15 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1k9s s VAL 15 CO 0.56 0.49 -0.08 -0.69 0.00 0.00 0.00 175.10 175.38 1k9s s VAL 16 N 0.02 0.81 -0.05 2.92 1.01 -0.55 -2.29 120.40 122.26 1k9s s VAL 16 Ca -0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1k9s s VAL 16 Cb -0.13 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1k9s s VAL 16 CO 0.04 0.29 0.38 -0.76 0.00 0.00 0.00 175.10 175.04 1k9s s LEU 17 N 0.85 4.40 -0.21 3.92 1.02 -0.09 -1.14 118.68 127.42 1k9s s LEU 17 Ca -0.12 0.83 -0.03 0.00 0.02 0.00 0.00 54.13 54.83 1k9s s LEU 17 Cb -0.15 -2.53 0.07 0.00 0.02 0.00 0.00 46.19 43.60 1k9s s LEU 17 CO 0.01 0.25 0.06 -0.04 0.02 0.00 0.00 176.35 176.65 1k9s s MET 18 N -0.57 0.49 0.59 1.70 -1.94 0.81 -1.39 119.30 118.99 1k9s s MET 18 Ca 0.22 -0.44 -0.03 0.00 -1.71 0.00 0.00 55.69 53.73 1k9s s MET 18 Cb -0.15 -1.95 0.03 0.00 2.01 0.00 0.00 34.83 34.76 1k9s s MET 18 CO 0.11 -0.72 0.86 -1.25 -0.01 0.00 0.00 175.02 174.00 1k9s s PRO 19 N 1.91 2.67 0.13 2.03 0.04 -1.24 -1.75 135.00 138.80 1k9s s PRO 19 Ca 0.02 -0.33 0.01 0.00 0.04 0.00 0.00 61.00 60.74 1k9s s PRO 19 Cb -0.17 -2.34 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1k9s s PRO 19 CO -0.13 -0.77 1.30 0.78 0.04 0.00 0.00 177.00 178.22 1k9s h GLY 20 N -0.13 0.21 -6.31 0.56 0.00 -1.84 -0.94 103.07 94.61 1k9s h GLY 20 Ca -0.45 -0.43 -0.60 0.00 0.00 0.00 0.00 47.33 45.85 1k9s h GLY 20 CO 0.58 0.38 0.44 -0.35 0.00 0.00 0.00 176.54 177.59 1k9s s ASP 21 N -6.95 6.66 0.55 0.19 2.15 -1.26 -1.57 116.67 116.45 1k9s s ASP 21 Ca -0.03 0.62 0.27 0.00 0.43 0.00 0.00 52.55 53.85 1k9s s ASP 21 Cb 0.09 -2.42 1.62 0.00 -0.30 0.00 0.00 42.92 41.91 1k9s s ASP 21 CO 0.84 -0.68 2.17 1.55 -0.17 0.00 0.00 175.17 178.89 1k9s h PRO 22 N 8.22 0.00 0.00 4.34 0.13 -1.88 0.03 132.00 142.84 1k9s h PRO 22 Ca -0.24 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 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 0.91 0.05 -0.34 -0.07 -0.23 0.00 0.00 178.00 178.32 1k9s h LEU 23 N 0.00 0.00 -0.42 1.56 3.38 -1.92 -1.67 115.31 116.24 1k9s h LEU 23 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1k9s h LEU 23 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1k9s h LEU 23 CO 0.01 0.34 -0.79 -0.09 0.09 0.00 0.00 178.44 177.99 1k9s h ARG 24 N 0.00 0.05 -0.56 1.13 2.43 -1.41 -2.09 114.38 113.93 1k9s h ARG 24 Ca -0.00 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1k9s h ARG 24 Cb 0.80 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1k9s h ARG 24 CO 0.04 0.81 -0.09 0.00 -1.51 0.00 0.00 179.97 179.23 1k9s h ALA 25 N 1.17 0.78 -0.48 2.80 0.00 -0.85 -0.82 119.26 121.87 1k9s h ALA 25 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1k9s h ALA 25 Cb 1.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1k9s h ALA 25 CO 0.11 0.67 0.14 -0.22 0.00 0.00 0.00 179.25 179.95 1k9s h LYS 26 N 0.93 0.75 -0.67 0.00 3.64 -1.23 -1.28 116.57 118.71 1k9s h LYS 26 Ca 0.15 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1k9s h LYS 26 Cb 0.66 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 1k9s h LYS 26 CO 0.05 0.72 0.40 -0.92 -2.27 0.00 0.00 179.45 177.42 1k9s h TYR 27 N 0.64 0.73 -0.50 1.91 3.20 -1.08 -0.87 116.97 121.01 1k9s h TYR 27 Ca 0.15 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1k9s h TYR 27 Cb 0.29 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1k9s h TYR 27 CO 0.02 0.39 0.07 0.82 -1.64 0.00 0.00 178.16 177.81 1k9s h ILE 28 N 0.75 1.25 -0.71 1.81 2.04 -0.90 -0.43 117.51 121.32 1k9s h ILE 28 Ca 0.29 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1k9s h ILE 28 Cb 0.11 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1k9s h ILE 28 CO -0.14 0.34 0.36 0.00 0.00 0.00 0.00 178.15 178.71 1k9s h ALA 29 N 0.97 0.91 0.01 1.87 0.00 -0.64 0.15 119.26 122.53 1k9s h ALA 29 Ca 0.15 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1k9s h ALA 29 Cb 0.41 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1k9s h ALA 29 CO 0.01 0.45 -0.96 0.93 0.00 0.00 0.00 179.25 179.69 1k9s h GLU 30 N 0.99 0.03 0.08 0.00 5.08 -1.09 -3.10 114.58 116.55 1k9s h GLU 30 Ca 0.25 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 58.22 1k9s h GLU 30 Cb 0.08 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1k9s h GLU 30 CO -0.04 0.96 -1.93 2.41 -1.00 0.00 0.00 179.01 179.41 1k9s n THR 31 N -3.44 1.71 0.05 1.13 -1.04 -0.18 -4.68 114.28 107.82 1k9s n THR 31 Ca -0.01 -0.70 0.04 0.00 -2.04 0.00 0.00 64.05 61.34 1k9s n THR 31 Cb 0.89 -1.47 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 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 -3.32 0.00 -3.81 -1.42 3.01 0.52 -5.04 117.46 107.41 1k9s n PHE 32 Ca -0.28 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 57.98 1k9s n PHE 32 Cb 1.05 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 40.35 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 -3.37 3.98 0.03 4.37 1.43 -1.17 -4.76 118.68 119.19 1k9s s LEU 33 Ca -0.02 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1k9s s LEU 33 Cb 0.05 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1k9s s LEU 33 CO 0.32 -0.23 -0.20 -1.61 0.23 0.00 0.00 176.35 174.86 1k9s s GLU 34 N -4.02 2.05 -1.47 1.70 2.02 -0.21 -4.62 118.70 114.16 1k9s s GLU 34 Ca 0.39 -0.98 -0.05 0.00 0.02 0.00 0.00 54.97 54.34 1k9s s GLU 34 Cb -0.08 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 32.02 1k9s s GLU 34 CO 0.28 0.54 0.46 -0.25 0.02 0.00 0.00 175.26 176.31 1k9s n ASP 35 N 1.72 -5.28 -4.73 -0.19 8.00 -1.26 -1.82 116.55 112.98 1k9s n ASP 35 Ca -0.16 -0.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 1k9s n ASP 35 Cb 0.52 -4.32 -0.03 0.00 -0.02 0.00 0.00 41.12 37.28 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 -3.05 3.61 -0.03 2.24 0.00 -1.26 -4.61 121.76 118.66 1k9s s ALA 36 Ca 0.27 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.51 1k9s s ALA 36 Cb -0.13 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1k9s s ALA 36 CO 0.33 -0.66 -0.17 0.50 0.00 0.00 0.00 175.76 175.76 1k9s s ARG 37 N 0.14 1.67 -0.04 0.00 3.52 -0.26 -4.94 118.95 119.05 1k9s s ARG 37 Ca 0.61 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 1k9s s ARG 37 Cb -0.40 -1.50 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 1k9s s ARG 37 CO 0.38 0.28 1.27 -2.00 -0.81 0.00 0.00 175.30 174.43 1k9s s GLU 38 N -0.09 4.32 0.00 5.12 2.12 -1.26 -1.17 118.70 127.74 1k9s s GLU 38 Ca -0.01 1.78 0.08 0.00 0.36 0.00 0.00 54.97 57.18 1k9s s GLU 38 Cb -0.10 -3.57 -0.08 0.00 0.26 0.00 0.00 34.13 30.64 1k9s s GLU 38 CO 0.01 -0.50 0.34 1.33 -0.54 0.00 0.00 175.26 175.91 1k9s n VAL 39 N 4.64 0.00 -3.73 3.70 0.24 0.64 -4.95 118.33 118.87 1k9s n VAL 39 Ca 0.12 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 1k9s n VAL 39 Cb 0.45 1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.71 -0.38 0.00 -1.34 2.47 -1.10 -4.38 114.94 108.49 1k9s s ASN 40 Ca 0.03 0.66 0.00 0.00 0.42 0.00 0.00 52.86 53.97 1k9s s ASN 40 Cb 0.06 0.71 0.00 0.00 -1.45 0.00 0.00 41.25 40.57 1k9s s ASN 40 CO 0.31 -0.23 0.30 -0.46 -3.72 0.00 0.00 177.10 173.31 1k9s n ASN 41 N 2.44 0.00 -4.72 -4.21 2.04 -1.26 -2.02 115.26 107.53 1k9s n ASN 41 Ca -0.15 -1.00 -0.43 0.00 -0.44 0.00 0.00 54.58 52.56 1k9s n ASN 41 Cb 0.57 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.80 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 1.34 -1.48 3.53 0.31 -1.26 -0.97 118.33 119.79 1k9s n VAL 42 Ca 0.00 -0.33 -0.15 0.00 -0.01 0.00 0.00 64.34 63.85 1k9s n VAL 42 Cb 0.46 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.57 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 1.56 -1.36 -1.05 5.55 1.74 -1.26 -1.24 116.66 120.59 1k9s n ARG 43 Ca 0.08 0.88 -0.02 0.00 -0.77 0.00 0.00 57.85 58.02 1k9s n ARG 43 Cb 0.35 -5.18 -0.01 0.00 -1.02 0.00 0.00 32.46 26.61 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 -0.31 0.41 3.49 -0.13 0.00 -0.15 -4.92 105.19 103.58 1k9s n GLY 44 Ca -0.15 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1k9s n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1k9s s MET 45 N -1.33 4.00 0.22 1.61 0.00 -0.38 -4.83 119.30 118.60 1k9s s MET 45 Ca 0.00 -2.34 -0.32 0.00 0.00 0.00 0.00 55.69 53.03 1k9s s MET 45 Cb 0.00 -5.14 -0.13 0.00 0.00 0.00 0.00 34.83 29.56 1k9s s MET 45 CO 0.00 -1.87 1.58 1.28 0.00 0.00 0.00 175.02 176.01 1k9s n LEU 46 N 6.35 3.63 -3.99 4.11 4.77 -1.26 -4.39 117.00 126.22 1k9s n LEU 46 Ca 0.37 1.10 -0.18 0.00 -0.03 0.00 0.00 56.01 57.28 1k9s n LEU 46 Cb 0.44 -1.50 -0.15 0.00 -2.33 0.00 0.00 43.42 39.88 1k9s n LEU 46 CO 0.64 -0.11 -0.42 -0.83 -1.33 0.00 0.00 177.39 175.34 1k9s s GLY 47 N 0.75 0.40 0.09 -0.72 0.00 -0.85 -2.18 107.32 104.80 1k9s s GLY 47 Ca 0.72 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.18 1k9s s GLY 47 CO 0.41 -0.17 -0.10 -1.36 0.00 0.00 0.00 173.10 171.89 1k9s s PHE 48 N -0.01 1.03 -0.06 1.90 0.40 0.74 -0.26 117.98 121.73 1k9s s PHE 48 Ca 0.01 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 55.70 1k9s s PHE 48 Cb -0.05 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 42.93 1k9s s PHE 48 CO -0.00 -0.01 -0.09 0.99 0.70 0.00 0.00 175.22 176.80 1k9s s THR 49 N -2.37 0.93 0.00 0.64 2.01 -0.32 -0.60 115.64 115.92 1k9s s THR 49 Ca 0.04 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1k9s s THR 49 Cb -0.03 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.60 1k9s s THR 49 CO -0.00 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1k9s n GLY 50 N 3.90 3.90 3.19 4.40 0.00 0.08 -1.10 105.19 119.57 1k9s n GLY 50 Ca -0.24 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.21 1.11 -0.09 2.61 -4.23 -0.76 -0.85 115.64 112.22 1k9s s THR 51 Ca 0.00 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1k9s s THR 51 Cb 0.00 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.55 1k9s s THR 51 CO 0.00 -0.41 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.17 1k9s s TYR 52 N -1.98 0.97 -1.55 3.99 5.04 0.54 -1.04 117.35 123.32 1k9s s TYR 52 Ca 0.04 -0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 54.25 1k9s s TYR 52 Cb -0.06 -0.96 0.03 0.00 0.35 0.00 0.00 41.96 41.32 1k9s s TYR 52 CO 0.02 -0.40 0.22 1.63 -1.34 0.00 0.00 175.55 175.68 1k9s n LYS 53 N 5.07 -1.70 -0.34 4.97 5.02 -1.26 0.48 118.16 130.40 1k9s n LYS 53 Ca -0.09 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1k9s n LYS 53 Cb 0.50 -4.04 0.00 0.00 -0.02 0.00 0.00 35.03 31.47 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 -2.21 2.05 3.68 0.72 0.00 -1.26 -5.00 105.19 103.18 1k9s n GLY 54 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.04 4.20 0.16 1.61 3.00 0.18 -5.03 118.95 123.03 1k9s s ARG 55 Ca 0.00 0.20 -0.31 0.00 -1.00 0.00 0.00 55.73 54.63 1k9s s ARG 55 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 34.95 31.36 1k9s s ARG 55 CO 0.00 0.03 1.38 0.21 0.00 0.00 0.00 175.30 176.92 1k9s s LYS 56 N 1.10 4.33 -0.03 5.12 2.20 -1.26 -0.34 119.74 130.86 1k9s s LYS 56 Ca 0.19 2.11 -0.08 0.00 -0.36 0.00 0.00 55.97 57.83 1k9s s LYS 56 Cb -0.14 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1k9s s LYS 56 CO 0.07 -0.39 0.18 0.42 -0.36 0.00 0.00 175.35 175.28 1k9s s ILE 57 N 0.68 0.05 0.19 5.43 1.01 -0.03 -4.72 121.20 123.80 1k9s s ILE 57 Ca 0.62 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.96 1k9s s ILE 57 Cb -0.38 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1k9s s ILE 57 CO 0.34 -0.22 -0.16 -0.44 0.00 0.00 0.00 174.94 174.46 1k9s s SER 58 N -0.82 3.91 -0.06 3.58 0.01 -0.97 -0.74 113.70 118.60 1k9s s SER 58 Ca -0.09 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.44 1k9s s SER 58 Cb -0.05 -0.52 0.04 0.00 0.21 0.00 0.00 66.02 65.70 1k9s s SER 58 CO 0.01 0.11 0.11 0.54 0.41 0.00 0.00 173.24 174.43 1k9s s VAL 59 N -1.72 -0.11 -0.08 3.43 0.11 0.23 -0.91 120.40 121.35 1k9s s VAL 59 Ca 0.23 0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 59.45 1k9s s VAL 59 Cb -0.08 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1k9s s VAL 59 CO 0.13 0.11 0.26 -0.32 -3.33 0.00 0.00 175.10 171.94 1k9s s MET 60 N 1.53 0.38 0.63 1.54 1.75 -0.49 -0.18 119.30 124.45 1k9s s MET 60 Ca -0.05 0.20 -0.16 0.00 -1.25 0.00 0.00 55.69 54.44 1k9s s MET 60 Cb -0.12 0.18 -0.02 0.00 2.84 0.00 0.00 34.83 37.71 1k9s s MET 60 CO -0.05 -0.07 1.09 0.20 -0.65 0.00 0.00 175.02 175.55 1k9s s GLY 61 N -0.23 2.18 0.00 2.11 0.00 -0.93 -3.66 107.32 106.78 1k9s s GLY 61 Ca -0.04 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.22 1k9s s GLY 61 CO 0.01 0.85 0.39 -2.39 0.00 0.00 0.00 173.10 171.97 1k9s n HIS 62 N -2.22 0.00 -0.09 1.90 1.44 -0.36 -4.89 115.22 111.01 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 0.43 -1.44 3.76 -1.39 0.00 -0.61 -2.92 105.19 103.02 1k9s n GLY 63 Ca 0.01 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.28 4.09 0.00 1.61 1.00 -1.26 -4.65 119.30 118.81 1k9s s MET 64 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 55.69 55.71 1k9s s MET 64 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 34.83 31.46 1k9s s MET 64 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 175.02 175.80 1k9s n GLY 65 N 3.07 2.22 0.17 -0.03 0.00 -1.25 -4.40 105.19 104.97 1k9s n GLY 65 Ca -0.14 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.01 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 0.96 -0.73 -0.61 2.04 -1.70 -2.13 117.51 115.34 1k9s h ILE 66 Ca 0.00 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1k9s h ILE 66 Cb 0.00 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1k9s h ILE 66 CO 0.00 0.07 0.43 -0.65 0.00 0.00 0.00 178.15 178.00 1k9s h PRO 67 N 0.39 0.99 0.28 2.37 0.11 -1.90 -0.54 132.00 133.71 1k9s h PRO 67 Ca 0.17 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1k9s h PRO 67 Cb 0.09 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1k9s h PRO 67 CO -0.13 0.71 -0.14 1.03 -0.21 0.00 0.00 178.00 179.26 1k9s h SER 68 N 1.01 -0.32 0.59 -2.05 0.87 -1.68 -3.10 113.55 108.86 1k9s h SER 68 Ca 0.26 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1k9s h SER 68 Cb -0.02 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1k9s h SER 68 CO -0.05 0.03 -0.16 0.00 -0.53 0.00 0.00 176.83 176.11 1k9s h SER 70 N 0.00 0.38 0.22 0.00 0.02 -1.08 -1.07 113.55 112.03 1k9s h SER 70 Ca -0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1k9s h SER 70 Cb 0.50 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1k9s h SER 70 CO 0.02 0.66 -0.11 0.40 -1.14 0.00 0.00 176.83 176.66 1k9s h ILE 71 N 0.33 0.85 -0.25 3.27 2.04 -1.40 -2.31 117.51 120.06 1k9s h ILE 71 Ca 0.05 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1k9s h ILE 71 Cb 0.67 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1k9s h ILE 71 CO 0.05 0.13 0.11 1.88 0.00 0.00 0.00 178.15 180.32 1k9s h TYR 72 N -0.61 0.37 -0.64 1.37 0.05 -1.48 -2.32 116.97 113.71 1k9s h TYR 72 Ca -0.03 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 1k9s h TYR 72 Cb 0.44 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1k9s h TYR 72 CO 0.02 0.37 0.12 1.79 -1.05 0.00 0.00 178.16 179.41 1k9s h THR 73 N 0.26 1.25 0.31 -2.88 1.35 -1.29 -1.16 112.91 110.76 1k9s h THR 73 Ca 0.08 -0.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.96 1k9s h THR 73 Cb 0.15 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1k9s h THR 73 CO -0.01 0.36 -0.15 0.50 -0.25 0.00 0.00 175.52 175.98 1k9s h LYS 74 N 0.97 -0.40 -0.55 4.72 3.11 -1.31 -1.95 116.57 121.15 1k9s h LYS 74 Ca 0.20 0.03 0.04 0.00 -2.81 0.00 0.00 60.65 58.11 1k9s h LYS 74 Cb 0.39 0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.67 1k9s h LYS 74 CO 0.01 -0.23 0.30 0.93 -2.81 0.00 0.00 179.45 177.65 1k9s h GLU 75 N -0.47 0.57 -0.69 1.90 5.08 -1.27 -0.40 114.58 119.30 1k9s h GLU 75 Ca -0.04 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1k9s h GLU 75 Cb 0.35 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1k9s h GLU 75 CO 0.07 0.38 0.36 -0.07 -1.00 0.00 0.00 179.01 178.75 1k9s h LEU 76 N 0.59 0.51 0.21 1.33 3.38 -1.12 0.36 115.31 120.56 1k9s h LEU 76 Ca 0.24 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1k9s h LEU 76 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1k9s h LEU 76 CO -0.14 0.31 -0.10 0.40 0.09 0.00 0.00 178.44 179.00 1k9s h ILE 77 N 0.64 0.85 0.00 1.22 2.04 -0.58 -1.82 117.51 119.87 1k9s h ILE 77 Ca 0.33 -0.81 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1k9s h ILE 77 Cb 0.28 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1k9s h ILE 77 CO -0.23 0.17 -0.73 0.71 0.00 0.00 0.00 178.15 178.07 1k9s h THR 78 N -0.72 0.80 0.00 -0.27 1.35 -1.01 -3.16 112.91 109.90 1k9s h THR 78 Ca -0.03 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 1k9s h THR 78 Cb 0.49 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1k9s h THR 78 CO 0.05 0.45 -1.07 0.47 -0.25 0.00 0.00 175.52 175.17 1k9s n ASP 79 N -3.15 1.36 -0.06 5.36 8.00 0.13 -4.64 116.55 123.56 1k9s n ASP 79 Ca -0.01 -0.39 0.02 0.00 0.71 0.00 0.00 54.79 55.12 1k9s n ASP 79 Cb 0.76 1.29 0.03 0.00 -0.02 0.00 0.00 41.12 43.18 1k9s n ASP 79 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1k9s n PHE 80 N -1.61 0.00 -1.75 1.24 3.72 -0.92 -4.50 117.46 113.65 1k9s n PHE 80 Ca -0.00 -0.47 -0.20 0.00 -0.05 0.00 0.00 57.45 56.73 1k9s n PHE 80 Cb 0.26 -0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.57 1.45 3.76 1.37 0.00 -1.06 -4.66 105.19 105.49 1k9s n GLY 81 Ca 0.04 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.80 2.92 -0.16 1.61 1.01 -0.73 -4.79 120.40 117.45 1k9s s VAL 82 Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1k9s s VAL 82 Cb 0.00 -3.56 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 1k9s s VAL 82 CO 0.00 0.19 -0.08 0.29 0.00 0.00 0.00 175.10 175.50 1k9s n LYS 83 N 1.27 0.93 -4.68 2.72 4.76 0.48 -4.50 118.16 119.14 1k9s n LYS 83 Ca 0.01 0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 55.28 1k9s n LYS 83 Cb 0.42 -1.35 -0.15 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.35 1.29 -0.09 1.97 1.02 -0.80 -1.63 119.74 119.15 1k9s s LYS 84 Ca -0.17 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1k9s s LYS 84 Cb 0.05 -1.20 0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1k9s s LYS 84 CO 0.47 0.27 -0.14 0.42 -0.92 0.00 0.00 175.35 175.45 1k9s s ILE 85 N -0.19 1.36 -0.24 2.17 1.01 -0.23 -1.49 121.20 123.60 1k9s s ILE 85 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1k9s s ILE 85 Cb -0.07 -1.25 0.05 0.00 0.01 0.00 0.00 42.46 41.20 1k9s s ILE 85 CO 0.00 0.41 -0.13 -0.63 0.00 0.00 0.00 174.94 174.60 1k9s s ILE 86 N 0.87 2.10 0.01 2.92 1.01 -0.30 -1.22 121.20 126.58 1k9s s ILE 86 Ca -0.10 -1.45 -0.25 0.00 0.00 0.00 0.00 60.65 58.85 1k9s s ILE 86 Cb -0.15 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1k9s s ILE 86 CO 0.01 0.10 0.77 -0.60 0.00 0.00 0.00 174.94 175.21 1k9s s ARG 87 N 1.16 4.48 -0.26 2.79 3.52 0.73 -0.14 118.95 131.24 1k9s s ARG 87 Ca -0.06 1.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.60 1k9s s ARG 87 Cb -0.18 -3.40 0.07 0.00 -1.56 0.00 0.00 34.95 29.88 1k9s s ARG 87 CO -0.07 0.18 -0.03 0.14 -0.81 0.00 0.00 175.30 174.71 1k9s s VAL 88 N 0.33 1.67 0.00 7.11 -7.23 -0.71 -0.68 120.40 120.88 1k9s s VAL 88 Ca 0.40 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1k9s s VAL 88 Cb -0.20 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1k9s s VAL 88 CO 0.22 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1k9s n GLY 89 N 4.59 5.14 3.46 2.32 0.00 -0.49 -4.00 105.19 116.21 1k9s n GLY 89 Ca -0.09 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 1.07 3.33 0.14 1.61 1.04 -1.26 -0.71 113.70 118.92 1k9s s SER 90 Ca 0.00 -1.09 -0.18 0.00 0.48 0.00 0.00 55.95 55.16 1k9s s SER 90 Cb 0.00 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.90 1k9s s SER 90 CO 0.00 -0.11 0.48 0.00 0.98 0.00 0.00 173.24 174.59 1k9s s GLY 92 N -2.79 2.15 0.04 0.00 0.00 0.04 -1.05 107.32 105.72 1k9s s GLY 92 Ca 0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 44.72 43.98 1k9s s GLY 92 CO -0.12 -0.64 0.18 0.00 0.00 0.00 0.00 173.10 172.53 1k9s s ALA 93 N -1.28 3.92 -0.00 3.20 0.00 -0.23 0.07 121.76 127.44 1k9s s ALA 93 Ca 0.26 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1k9s s ALA 93 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1k9s s ALA 93 CO 0.17 0.79 0.03 1.33 0.00 0.00 0.00 175.76 178.08 1k9s n VAL 94 N 0.54 0.01 -2.60 0.00 0.24 -1.26 -1.34 118.33 113.91 1k9s n VAL 94 Ca -0.07 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1k9s n VAL 94 Cb 0.52 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 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 -3.17 4.41 0.35 1.34 1.43 -1.26 -4.84 118.68 116.93 1k9s s LEU 95 Ca -0.00 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.02 1k9s s LEU 95 Cb 0.01 -3.58 0.77 0.00 0.03 0.00 0.00 46.19 43.42 1k9s s LEU 95 CO 0.05 -0.28 1.88 1.55 0.23 0.00 0.00 176.35 179.78 1k9s h PRO 96 N 6.31 0.72 -0.36 1.29 0.13 -1.98 -2.34 132.00 135.77 1k9s h PRO 96 Ca -0.42 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k9s h PRO 96 Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1k9s h PRO 96 CO 0.76 0.48 0.00 0.72 -0.23 0.00 0.00 178.00 179.73 1k9s n HIS 97 N -4.55 0.47 -3.61 1.56 8.25 -1.26 -4.75 115.22 111.33 1k9s n HIS 97 Ca 0.17 -0.24 -0.37 0.00 -0.26 0.00 0.00 57.72 57.02 1k9s n HIS 97 Cb 0.42 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.53 5.33 0.26 1.59 1.01 -0.88 -5.08 120.40 121.11 1k9s s VAL 98 Ca 0.27 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.64 1k9s s VAL 98 Cb 0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1k9s s VAL 98 CO 0.19 0.34 0.07 -1.59 0.00 0.00 0.00 175.10 174.11 1k9s s LYS 99 N 0.99 2.53 0.84 2.72 0.00 -1.26 -4.85 119.74 120.71 1k9s s LYS 99 Ca 0.10 -1.29 -0.14 0.00 0.00 0.00 0.00 55.97 54.64 1k9s s LYS 99 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 37.83 35.39 1k9s s LYS 99 CO 0.04 0.37 0.48 1.28 0.00 0.00 0.00 175.35 177.53 1k9s n LEU 100 N -1.00 0.41 0.00 2.77 4.77 -1.26 -1.89 117.00 120.79 1k9s n LEU 100 Ca -0.07 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1k9s n LEU 100 Cb 0.59 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1k9s n LEU 100 CO 0.41 -3.34 0.00 0.54 -1.33 0.00 0.00 177.39 173.68 1k9s n ARG 101 N -1.29 0.00 -1.62 3.23 1.74 -0.41 -4.94 116.66 113.37 1k9s n ARG 101 Ca 0.08 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 1k9s n ARG 101 Cb 0.52 -1.76 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 1k9s n ARG 101 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1k9s n ASP 102 N 0.00 1.17 -4.55 0.55 9.92 -0.79 -4.58 116.55 118.27 1k9s n ASP 102 Ca 0.00 0.79 -0.34 0.00 -0.53 0.00 0.00 54.79 54.71 1k9s n ASP 102 Cb 0.00 -1.45 -0.11 0.00 -0.64 0.00 0.00 41.12 38.92 1k9s n ASP 102 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k9s s VAL 103 N -1.51 4.16 -0.06 2.53 1.01 -1.26 -0.72 120.40 124.55 1k9s s VAL 103 Ca 0.79 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.56 1k9s s VAL 103 Cb -0.39 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1k9s s VAL 103 CO 0.45 0.49 -0.23 -0.69 0.00 0.00 0.00 175.10 175.12 1k9s s VAL 104 N 0.29 1.87 -0.21 2.92 1.01 0.24 -1.98 120.40 124.54 1k9s s VAL 104 Ca -0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 1k9s s VAL 104 Cb -0.13 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1k9s s VAL 104 CO 0.02 0.52 -0.02 -0.63 0.00 0.00 0.00 175.10 175.00 1k9s s ILE 105 N -0.03 3.75 -0.93 2.22 1.01 0.55 -0.64 121.20 127.13 1k9s s ILE 105 Ca -0.06 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 1k9s s ILE 105 Cb -0.14 -2.70 0.11 0.00 0.01 0.00 0.00 42.46 39.74 1k9s s ILE 105 CO 0.04 0.42 1.20 -0.83 0.00 0.00 0.00 174.94 175.77 1k9s s GLY 106 N 1.16 1.73 0.44 6.18 0.00 -0.45 -1.88 107.32 114.50 1k9s s GLY 106 Ca 0.03 -2.58 0.24 0.00 0.00 0.00 0.00 44.72 42.41 1k9s s GLY 106 CO 0.01 2.18 1.84 0.00 0.00 0.00 0.00 173.10 177.13 1k9s h MET 107 N 9.12 0.00 -4.20 2.90 -0.00 -1.26 -3.40 114.93 118.09 1k9s h MET 107 Ca 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.69 1k9s h MET 107 Cb 1.02 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.48 1k9s h MET 107 CO 1.19 0.23 -0.53 0.20 -0.00 0.00 0.00 176.91 178.00 1k9s s GLY 108 N -4.28 0.73 -0.10 -3.00 0.00 -1.14 -1.53 107.32 97.99 1k9s s GLY 108 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 1k9s s GLY 108 CO 0.64 -1.16 0.20 0.00 0.00 0.00 0.00 173.10 172.78 1k9s s ALA 109 N -4.00 -0.34 0.79 3.20 0.00 -0.08 -1.61 121.76 119.72 1k9s s ALA 109 Ca 0.19 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 1k9s s ALA 109 Cb 0.06 -0.88 0.07 0.00 0.00 0.00 0.00 23.12 22.37 1k9s s ALA 109 CO -0.01 -0.57 1.15 0.00 0.00 0.00 0.00 175.76 176.33 1k9s s THR 111 N -3.52 0.00 -0.96 0.00 -1.32 -1.26 -0.13 115.64 108.45 1k9s s THR 111 Ca 0.61 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.24 1k9s s THR 111 Cb -0.11 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.33 1k9s s THR 111 CO 0.49 0.00 1.38 -0.90 -2.21 0.00 0.00 174.62 173.38 1k9s n ASP 112 N 0.20 3.51 -4.85 8.08 5.68 -1.21 -4.97 116.55 122.99 1k9s n ASP 112 Ca -0.10 -2.25 -0.32 0.00 -0.50 0.00 0.00 54.79 51.63 1k9s n ASP 112 Cb 0.60 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 40.19 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 -1.15 6.43 0.00 -1.12 0.15 -1.26 -4.87 113.70 111.88 1k9s s SER 113 Ca 0.34 1.54 0.25 0.00 0.70 0.00 0.00 55.95 58.78 1k9s s SER 113 Cb 0.21 -2.50 0.36 0.00 -1.71 0.00 0.00 66.02 62.38 1k9s s SER 113 CO 0.18 -0.73 1.34 1.17 1.20 0.00 0.00 173.24 176.41 1k9s n LYS 114 N -2.00 1.86 -0.34 5.44 4.81 -1.26 -4.59 118.16 122.07 1k9s n LYS 114 Ca 0.07 -1.44 0.03 0.00 -0.87 0.00 0.00 58.31 56.09 1k9s n LYS 114 Cb 0.54 -1.47 0.17 0.00 0.02 0.00 0.00 35.03 34.29 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 3.52 1.04 0.00 3.15 -1.51 -2.00 -1.79 116.25 118.66 1k9s h VAL 115 Ca 0.00 -0.36 -0.10 0.00 -1.23 0.00 0.00 66.70 65.00 1k9s h VAL 115 Cb 0.82 -0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.84 1k9s h VAL 115 CO 0.00 0.19 -0.50 0.78 -1.23 0.00 0.00 177.57 176.82 1k9s h ASN 116 N 1.06 0.00 0.13 4.19 -0.26 -1.94 -2.47 115.58 116.29 1k9s h ASN 116 Ca 0.42 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.04 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 -0.19 0.50 -0.41 0.03 -1.06 0.00 0.00 177.43 176.29 1k9s h ARG 117 N 0.00 0.36 -0.47 0.81 3.08 -1.66 0.20 114.38 116.69 1k9s h ARG 117 Ca -0.00 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 1k9s h ARG 117 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1k9s h ARG 117 CO 0.06 0.72 -0.08 0.82 -1.07 0.00 0.00 179.97 180.42 1k9s h ILE 118 N 0.30 1.26 0.00 2.04 2.04 -1.08 0.14 117.51 122.21 1k9s h ILE 118 Ca 0.03 -1.16 -0.19 0.00 1.00 0.00 0.00 64.86 64.54 1k9s h ILE 118 Cb 0.86 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1k9s h ILE 118 CO 0.07 0.40 -0.87 0.03 0.00 0.00 0.00 178.15 177.79 1k9s h ARG 119 N 0.76 0.18 -0.83 2.37 3.08 -0.98 -3.38 114.38 115.59 1k9s h ARG 119 Ca 0.13 -0.19 -0.58 0.00 0.07 0.00 0.00 59.98 59.41 1k9s h ARG 119 Cb 0.58 0.06 -0.35 0.00 0.08 0.00 0.00 29.97 30.33 1k9s h ARG 119 CO 0.04 0.94 -0.07 0.34 -1.07 0.00 0.00 179.97 180.14 1k9s n PHE 120 N -3.65 2.84 -4.04 3.04 7.35 0.64 -4.94 117.46 118.70 1k9s n PHE 120 Ca -0.03 -2.51 -0.33 0.00 -0.76 0.00 0.00 57.45 53.82 1k9s n PHE 120 Cb 0.80 -0.81 0.00 0.00 0.35 0.00 0.00 39.48 39.82 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 -0.83 -4.54 -1.64 -4.13 5.02 -1.14 -1.66 118.16 109.23 1k9s n LYS 121 Ca 0.51 0.50 -0.18 0.00 -2.02 0.00 0.00 58.31 57.13 1k9s n LYS 121 Cb 0.86 -5.32 -0.07 0.00 -0.02 0.00 0.00 35.03 30.48 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 -2.76 -5.16 -3.23 4.39 2.03 0.48 -5.01 116.55 107.29 1k9s n ASP 122 Ca 0.05 0.37 -0.09 0.00 0.52 0.00 0.00 54.79 55.64 1k9s n ASP 122 Cb 0.51 -4.24 0.02 0.00 -0.72 0.00 0.00 41.12 36.69 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 -2.72 -2.18 -3.16 -0.67 8.25 -0.67 -5.01 115.22 109.06 1k9s n HIS 123 Ca -0.18 -0.93 -0.43 0.00 -0.26 0.00 0.00 57.72 55.92 1k9s n HIS 123 Cb 0.60 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.47 6.30 -0.23 0.41 1.11 -1.26 -4.59 116.67 115.94 1k9s s ASP 124 Ca 0.22 -0.35 -0.14 0.00 0.18 0.00 0.00 52.55 52.46 1k9s s ASP 124 Cb -0.02 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.63 1k9s s ASP 124 CO 0.14 -0.70 0.31 0.12 1.18 0.00 0.00 175.17 176.22 1k9s s PHE 125 N 2.64 3.32 -0.57 4.23 5.36 -1.26 -5.02 117.98 126.67 1k9s s PHE 125 Ca 0.20 0.43 -0.28 0.00 -0.96 0.00 0.00 56.93 56.32 1k9s s PHE 125 Cb -0.15 -2.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.11 1k9s s PHE 125 CO 0.17 -0.05 1.16 0.00 -1.46 0.00 0.00 175.22 175.03 1k9s s ALA 126 N 1.46 3.03 -0.58 11.12 0.00 -1.26 -4.96 121.76 130.56 1k9s s ALA 126 Ca 0.14 -0.85 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 1k9s s ALA 126 Cb -0.15 -3.99 0.02 0.00 0.00 0.00 0.00 23.12 19.01 1k9s s ALA 126 CO 0.08 -2.59 1.29 0.00 0.00 0.00 0.00 175.76 174.54 1k9s s ALA 127 N 4.79 2.91 0.23 0.00 0.00 -1.26 -4.98 121.76 123.44 1k9s s ALA 127 Ca 0.42 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.70 1k9s s ALA 127 Cb -0.08 -4.07 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 1k9s s ALA 127 CO 0.25 -2.80 -0.19 0.96 0.00 0.00 0.00 175.76 173.98 1k9s s ILE 128 N 5.46 2.17 0.79 0.00 -4.36 -1.26 -0.91 121.20 123.09 1k9s s ILE 128 Ca 0.47 -2.22 -0.10 0.00 -0.26 0.00 0.00 60.65 58.54 1k9s s ILE 128 Cb -0.09 -2.13 0.10 0.00 1.25 0.00 0.00 42.46 41.59 1k9s s ILE 128 CO 0.25 -0.39 1.13 0.00 0.24 0.00 0.00 174.94 176.16 1k9s s ALA 129 N -2.42 2.86 -0.01 2.27 0.00 -0.58 -4.83 121.76 119.05 1k9s s ALA 129 Ca 0.24 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 1k9s s ALA 129 Cb -0.05 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1k9s s ALA 129 CO 0.11 -1.65 0.99 0.34 0.00 0.00 0.00 175.76 175.54 1k9s s ASP 130 N -4.63 7.35 0.19 0.00 2.15 -0.65 -4.96 116.67 116.13 1k9s s ASP 130 Ca 0.64 1.66 -0.12 0.00 0.43 0.00 0.00 52.55 55.16 1k9s s ASP 130 Cb -0.09 -2.57 0.17 0.00 -0.30 0.00 0.00 42.92 40.13 1k9s s ASP 130 CO 0.48 -0.28 1.79 0.15 -0.17 0.00 0.00 175.17 177.14 1k9s h PHE 131 N 6.83 0.54 -0.75 -5.34 3.57 -1.95 -2.01 116.94 117.82 1k9s h PHE 131 Ca -0.40 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.08 1k9s h PHE 131 Cb 1.21 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1k9s h PHE 131 CO 0.68 0.26 0.30 -0.44 -2.23 0.00 0.00 178.31 176.89 1k9s h ASP 132 N 0.56 1.02 -0.62 0.41 3.32 -1.99 -1.04 116.42 118.08 1k9s h ASP 132 Ca 0.25 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1k9s h ASP 132 Cb 0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1k9s h ASP 132 CO -0.16 0.91 0.27 0.24 -1.72 0.00 0.00 179.24 178.77 1k9s h MET 133 N 1.09 0.95 -0.07 3.56 2.86 -1.84 0.16 114.93 121.64 1k9s h MET 133 Ca 0.25 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1k9s h MET 133 Cb 0.20 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1k9s h MET 133 CO -0.02 0.77 0.02 0.28 1.06 0.00 0.00 176.91 179.03 1k9s h VAL 134 N 0.94 1.16 -0.66 -2.22 2.07 -0.67 -1.66 116.25 115.21 1k9s h VAL 134 Ca 0.22 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1k9s h VAL 134 Cb 0.17 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1k9s h VAL 134 CO -0.02 0.14 0.24 -0.09 0.02 0.00 0.00 177.57 177.86 1k9s h ARG 135 N -0.08 0.99 -0.84 1.57 2.43 -0.78 -1.23 114.38 116.45 1k9s h ARG 135 Ca 0.02 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1k9s h ARG 135 Cb 0.20 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1k9s h ARG 135 CO -0.00 0.85 0.52 -0.91 -1.51 0.00 0.00 179.97 178.91 1k9s h ASN 136 N 0.93 0.81 -0.50 -3.80 2.35 -0.57 0.92 115.58 115.72 1k9s h ASN 136 Ca 0.22 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 1k9s h ASN 136 Cb 0.24 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1k9s h ASN 136 CO -0.01 0.51 -0.05 0.00 -1.65 0.00 0.00 177.43 176.23 1k9s h ALA 137 N 1.40 0.67 -0.52 -0.83 0.00 -0.86 -0.48 119.26 118.64 1k9s h ALA 137 Ca 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1k9s h ALA 137 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1k9s h ALA 137 CO -0.17 0.53 0.30 0.28 0.00 0.00 0.00 179.25 180.18 1k9s h VAL 138 N 0.77 1.17 -0.42 0.00 2.07 -0.65 -0.68 116.25 118.51 1k9s h VAL 138 Ca 0.13 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1k9s h VAL 138 Cb 0.59 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1k9s h VAL 138 CO 0.04 0.18 0.05 0.44 0.02 0.00 0.00 177.57 178.29 1k9s h ASP 139 N 0.69 0.69 -0.57 0.57 3.32 -0.62 -1.99 116.42 118.51 1k9s h ASP 139 Ca 0.18 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1k9s h ASP 139 Cb 0.02 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1k9s h ASP 139 CO -0.03 0.79 0.36 0.00 -1.72 0.00 0.00 179.24 178.64 1k9s h ALA 140 N 0.92 0.73 -0.84 3.45 0.00 -0.92 -0.76 119.26 121.84 1k9s h ALA 140 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k9s h ALA 140 Cb 0.41 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1k9s h ALA 140 CO 0.01 0.19 0.52 0.00 0.00 0.00 0.00 179.25 179.97 1k9s h ALA 141 N 1.19 1.07 -0.48 0.00 0.00 -0.96 -1.80 119.26 118.27 1k9s h ALA 141 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1k9s h ALA 141 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1k9s h ALA 141 CO -0.04 0.52 0.10 -0.22 0.00 0.00 0.00 179.25 179.61 1k9s h LYS 142 N 1.15 0.78 0.00 0.00 3.64 -0.86 0.16 116.57 121.44 1k9s h LYS 142 Ca 0.30 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1k9s h LYS 142 Cb -0.07 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1k9s h LYS 142 CO -0.06 0.77 -0.03 0.00 -2.27 0.00 0.00 179.45 177.86 1k9s h ALA 143 N 0.98 1.70 -0.25 5.00 0.00 -0.72 0.11 119.26 126.07 1k9s h ALA 143 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1k9s h ALA 143 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1k9s h ALA 143 CO 0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1k9s n LEU 144 N -4.14 2.53 -0.09 0.00 4.77 -0.72 -4.93 117.00 114.43 1k9s n LEU 144 Ca -0.03 -1.05 -0.01 0.00 -0.03 0.00 0.00 56.01 54.89 1k9s n LEU 144 Cb 0.12 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1k9s n LEU 144 CO 0.31 0.53 -0.01 0.61 -1.33 0.00 0.00 177.39 177.50 1k9s n GLY 145 N 1.31 0.38 3.72 -0.72 0.00 0.03 -4.99 105.19 104.92 1k9s n GLY 145 Ca 0.17 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.66 5.30 0.20 -0.61 1.01 0.51 -4.98 121.20 120.97 1k9s s ILE 146 Ca 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 60.65 61.07 1k9s s ILE 146 Cb 0.00 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.76 1k9s s ILE 146 CO 0.00 0.38 0.60 -0.62 0.00 0.00 0.00 174.94 175.30 1k9s s ASP 147 N 0.53 6.79 -0.05 3.58 2.15 -1.26 -3.73 116.67 124.67 1k9s s ASP 147 Ca 0.17 1.11 -0.04 0.00 0.43 0.00 0.00 52.55 54.22 1k9s s ASP 147 Cb -0.13 -2.30 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 1k9s s ASP 147 CO 0.04 0.00 0.13 0.00 -0.17 0.00 0.00 175.17 175.18 1k9s s ALA 148 N -1.64 -0.31 0.06 3.66 0.00 -1.26 -4.37 121.76 117.90 1k9s s ALA 148 Ca 0.43 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 1k9s s ALA 148 Cb -0.13 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 1k9s s ALA 148 CO 0.20 -0.09 0.49 1.03 0.00 0.00 0.00 175.76 177.39 1k9s s ARG 149 N 0.39 4.00 -0.14 0.00 0.52 -0.84 -4.93 118.95 117.95 1k9s s ARG 149 Ca -0.03 0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.70 1k9s s ARG 149 Cb -0.04 -3.14 -0.00 0.00 0.52 0.00 0.00 34.95 32.29 1k9s s ARG 149 CO -0.02 0.61 -0.17 0.08 0.02 0.00 0.00 175.30 175.83 1k9s s VAL 150 N -1.21 2.57 0.00 3.52 1.01 -1.26 -0.33 120.40 124.70 1k9s s VAL 150 Ca 0.29 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1k9s s VAL 150 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1k9s s VAL 150 CO 0.17 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1k9s n GLY 151 N 3.92 1.10 3.84 4.51 0.00 -0.79 -4.94 105.19 112.83 1k9s n GLY 151 Ca -0.19 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 6.84 0.41 1.61 0.01 -1.26 -0.75 114.94 123.79 1k9s s ASN 152 Ca 0.00 1.00 0.08 0.00 -0.71 0.00 0.00 52.86 53.23 1k9s s ASN 152 Cb 0.00 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 1k9s s ASN 152 CO 0.00 0.29 0.33 -0.76 -1.51 0.00 0.00 177.10 175.45 1k9s s LEU 153 N -1.20 3.34 -0.12 0.60 1.43 -0.63 -0.93 118.68 121.17 1k9s s LEU 153 Ca 0.26 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1k9s s LEU 153 Cb -0.17 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1k9s s LEU 153 CO 0.15 -0.61 -0.11 0.12 0.23 0.00 0.00 176.35 176.12 1k9s s PHE 154 N -2.49 1.77 -0.47 0.29 2.19 -0.18 -0.45 117.98 118.63 1k9s s PHE 154 Ca 0.46 -0.89 -0.17 0.00 0.33 0.00 0.00 56.93 56.66 1k9s s PHE 154 Cb -0.02 -1.36 0.06 0.00 -1.31 0.00 0.00 43.02 40.40 1k9s s PHE 154 CO 0.27 -0.53 0.46 -1.12 1.83 0.00 0.00 175.22 176.12 1k9s s SER 155 N 1.42 6.17 0.18 6.13 0.01 0.81 -1.07 113.70 127.36 1k9s s SER 155 Ca 0.01 -1.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.00 1k9s s SER 155 Cb -0.13 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 1k9s s SER 155 CO -0.07 -0.70 0.60 0.00 0.41 0.00 0.00 173.24 173.49 1k9s s ALA 156 N 1.97 3.52 -0.01 1.44 0.00 0.31 -3.34 121.76 125.66 1k9s s ALA 156 Ca 0.08 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1k9s s ALA 156 Cb -0.22 -2.59 -0.25 0.00 0.00 0.00 0.00 23.12 20.06 1k9s s ALA 156 CO 0.09 0.43 0.81 -0.44 0.00 0.00 0.00 175.76 176.65 1k9s h ASP 157 N 3.33 0.20 -3.69 0.00 5.19 -1.89 -3.41 116.42 116.16 1k9s h ASP 157 Ca -0.48 -0.32 -0.69 0.00 -0.62 0.00 0.00 57.03 54.92 1k9s h ASP 157 Cb 1.19 -0.07 -0.32 0.00 0.18 0.00 0.00 39.33 40.31 1k9s h ASP 157 CO 0.66 1.28 -0.65 -0.76 -3.12 0.00 0.00 179.24 176.65 1k9s s LEU 158 N -6.65 4.25 0.26 1.55 1.43 -1.26 -4.94 118.68 113.32 1k9s s LEU 158 Ca -0.07 -1.37 -0.04 0.00 -1.03 0.00 0.00 54.13 51.61 1k9s s LEU 158 Cb 0.08 -1.78 0.32 0.00 0.03 0.00 0.00 46.19 44.84 1k9s s LEU 158 CO 0.83 -0.33 1.87 0.15 0.23 0.00 0.00 176.35 179.10 1k9s h PHE 159 N 8.07 1.08 -3.19 0.29 3.04 -1.97 -3.10 116.94 121.16 1k9s h PHE 159 Ca -0.20 -0.04 -0.77 0.00 3.98 0.00 0.00 57.97 60.94 1k9s h PHE 159 Cb 1.06 -0.34 -0.31 0.00 2.56 0.00 0.00 35.95 38.93 1k9s h PHE 159 CO 0.60 0.77 0.37 0.66 -2.02 0.00 0.00 178.31 178.69 1k9s n TYR 160 N -4.33 3.93 -2.47 0.41 4.01 -1.26 -5.05 117.16 112.40 1k9s n TYR 160 Ca 0.08 -3.54 -0.41 0.00 -0.16 0.00 0.00 57.90 53.86 1k9s n TYR 160 Cb 0.12 -1.35 -0.04 0.00 -0.31 0.00 0.00 39.34 37.77 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 -0.33 7.21 0.00 7.72 0.15 -1.17 -4.92 113.70 122.35 1k9s s SER 161 Ca 0.31 2.13 0.30 0.00 0.70 0.00 0.00 55.95 59.39 1k9s s SER 161 Cb -0.02 -2.60 1.52 0.00 -1.71 0.00 0.00 66.02 63.20 1k9s s SER 161 CO -0.02 -0.28 2.03 -0.81 1.20 0.00 0.00 173.24 175.36 1k9s n PRO 162 N 2.47 0.70 -3.44 5.44 -0.04 -1.26 -4.39 135.00 134.48 1k9s n PRO 162 Ca 0.03 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 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 -2.38 6.73 0.43 3.54 2.15 -1.26 -4.87 116.67 121.01 1k9s s ASP 163 Ca 0.34 -3.38 0.12 0.00 0.43 0.00 0.00 52.55 50.05 1k9s s ASP 163 Cb 0.21 -2.11 0.94 0.00 -0.30 0.00 0.00 42.92 41.66 1k9s s ASP 163 CO 0.44 -0.33 2.00 1.23 -0.17 0.00 0.00 175.17 178.34 1k9s h GLY 164 N 6.77 0.17 2.00 2.66 0.00 -2.02 -2.68 103.07 109.97 1k9s h GLY 164 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1k9s h GLY 164 CO 0.90 0.09 0.00 1.05 0.00 0.00 0.00 176.54 178.57 1k9s h GLU 165 N 0.16 0.00 0.00 4.80 4.11 -1.97 -2.73 114.58 118.95 1k9s h GLU 165 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1k9s h GLU 165 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1k9s h GLU 165 CO 0.01 0.00 -0.07 1.98 0.07 0.00 0.00 179.01 181.00 1k9s h MET 166 N 0.00 0.00 -0.34 1.06 4.05 -1.90 -1.22 114.93 116.58 1k9s h MET 166 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1k9s h MET 166 Cb 0.28 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1k9s h MET 166 CO 0.00 0.07 -0.03 0.74 0.23 0.00 0.00 176.91 177.92 1k9s h PHE 167 N 0.00 0.57 -0.54 1.39 0.04 -1.69 0.36 116.94 117.08 1k9s h PHE 167 Ca -0.00 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 1k9s h PHE 167 Cb 0.13 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 1k9s h PHE 167 CO 0.00 0.58 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.84 1k9s h ASP 168 N 0.52 0.94 -0.38 2.17 3.32 -1.40 -0.98 116.42 120.60 1k9s h ASP 168 Ca 0.11 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1k9s h ASP 168 Cb 0.38 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1k9s h ASP 168 CO 0.02 1.02 0.18 0.58 -1.72 0.00 0.00 179.24 179.31 1k9s h VAL 169 N 0.83 1.17 -0.71 -1.35 2.07 -1.18 -0.68 116.25 116.40 1k9s h VAL 169 Ca 0.15 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1k9s h VAL 169 Cb 0.55 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1k9s h VAL 169 CO 0.03 0.19 0.40 0.24 0.02 0.00 0.00 177.57 178.44 1k9s h MET 170 N 0.48 0.70 -0.26 1.57 2.86 -0.70 -1.32 114.93 118.26 1k9s h MET 170 Ca 0.13 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1k9s h MET 170 Cb 0.13 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1k9s h MET 170 CO -0.02 0.46 0.10 1.49 1.06 0.00 0.00 176.91 180.01 1k9s h GLU 171 N 0.72 0.39 -0.74 1.72 4.81 -0.81 -1.60 114.58 119.07 1k9s h GLU 171 Ca 0.33 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1k9s h GLU 171 Cb 0.23 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1k9s h GLU 171 CO -0.20 0.43 0.48 -0.22 -0.73 0.00 0.00 179.01 178.77 1k9s h LYS 172 N 0.26 0.75 -0.58 1.92 3.64 -0.54 -1.85 116.57 120.18 1k9s h LYS 172 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1k9s h LYS 172 Cb 0.19 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1k9s h LYS 172 CO -0.01 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.33 1k9s n TYR 173 N -4.48 0.89 -1.25 1.91 4.02 -0.55 -4.95 117.16 112.75 1k9s n TYR 173 Ca 0.11 -0.36 -0.08 0.00 -0.01 0.00 0.00 57.90 57.55 1k9s n TYR 173 Cb 0.22 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 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 0.87 1.00 3.70 2.72 0.00 -0.69 -4.98 105.19 107.80 1k9s n GLY 174 Ca 0.16 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.78 0.17 0.07 -0.61 2.08 -0.63 -4.67 119.36 112.98 1k9s n ILE 175 Ca -0.08 -0.03 -0.12 0.00 0.56 0.00 0.00 62.75 63.08 1k9s n ILE 175 Cb 0.27 -1.98 -0.13 0.00 -0.75 0.00 0.00 39.64 37.05 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 7.50 0.21 -7.10 1.39 3.38 -1.38 -3.41 115.31 115.90 1k9s h LEU 176 Ca -0.45 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.20 1k9s h LEU 176 Cb 1.22 -0.07 -0.19 0.00 0.09 0.00 0.00 40.66 41.71 1k9s h LEU 176 CO 0.94 1.20 0.10 -0.83 0.09 0.00 0.00 178.44 179.94 1k9s s GLY 177 N -4.78 -0.49 -0.23 0.83 0.00 -1.25 -4.54 107.32 96.85 1k9s s GLY 177 Ca -0.03 1.12 -0.06 0.00 0.00 0.00 0.00 44.72 45.75 1k9s s GLY 177 CO 0.85 0.79 0.02 0.14 0.00 0.00 0.00 173.10 174.90 1k9s s VAL 178 N -1.22 3.97 0.00 1.40 1.01 0.11 -1.01 120.40 124.67 1k9s s VAL 178 Ca -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1k9s s VAL 178 Cb -0.01 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1k9s s VAL 178 CO 0.09 0.38 0.00 -1.84 0.00 0.00 0.00 175.10 173.73 1k9s n GLU 179 N 4.78 0.18 -0.42 2.72 -0.00 -0.23 -0.78 120.64 126.89 1k9s n GLU 179 Ca -0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.00 1k9s n GLU 179 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.10 0.00 3.44 2.81 -1.26 -0.53 117.12 121.68 1k9s n MET 180 Ca 0.00 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 54.85 1k9s n MET 180 Cb 0.00 -0.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 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 -0.09 0.00 -0.22 0.03 4.71 -1.26 -1.92 120.64 121.90 1k9s n GLU 181 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.13 1k9s n GLU 181 Cb 0.67 -0.50 0.03 0.00 -1.01 0.00 0.00 31.44 30.64 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 0.15 -0.46 0.62 0.00 -1.95 -0.44 119.26 117.18 1k9s h ALA 182 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1k9s h ALA 182 Cb 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1k9s h ALA 182 CO 0.00 -0.58 0.31 0.00 0.00 0.00 0.00 179.25 178.98 1k9s h ALA 183 N 1.26 1.82 -0.27 0.00 0.00 -1.83 -0.44 119.26 119.79 1k9s h ALA 183 Ca 0.27 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1k9s h ALA 183 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1k9s h ALA 183 CO -0.70 0.12 -0.55 0.78 0.00 0.00 0.00 179.25 178.91 1k9s h GLY 184 N 0.49 0.93 1.03 0.00 0.00 -1.47 -1.97 103.07 102.08 1k9s h GLY 184 Ca 0.19 -1.11 -0.11 0.00 0.00 0.00 0.00 47.33 46.30 1k9s h GLY 184 CO -0.05 0.99 -0.19 -2.22 0.00 0.00 0.00 176.54 175.08 1k9s h ILE 185 N 0.62 1.28 -0.21 2.60 2.04 -0.60 -1.99 117.51 121.26 1k9s h ILE 185 Ca 0.01 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 1k9s h ILE 185 Cb 1.16 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1k9s h ILE 185 CO 0.12 0.44 -0.11 1.88 0.00 0.00 0.00 178.15 180.48 1k9s h TYR 186 N 0.66 0.35 -0.33 1.37 0.05 -1.13 0.55 116.97 118.48 1k9s h TYR 186 Ca 0.09 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.69 1k9s h TYR 186 Cb 0.74 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 1k9s h TYR 186 CO 0.06 0.45 -0.35 0.78 -1.05 0.00 0.00 178.16 178.04 1k9s h GLY 187 N 0.81 0.90 0.92 3.88 0.00 -1.17 -2.10 103.07 106.31 1k9s h GLY 187 Ca 0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.42 1k9s h GLY 187 CO 0.02 0.84 0.09 -2.08 0.00 0.00 0.00 176.54 175.41 1k9s h VAL 188 N 0.61 1.23 -0.51 4.60 2.07 -0.91 -0.42 116.25 122.92 1k9s h VAL 188 Ca 0.05 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.86 1k9s h VAL 188 Cb 0.94 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1k9s h VAL 188 CO 0.09 0.26 0.20 0.00 0.02 0.00 0.00 177.57 178.14 1k9s h ALA 189 N 0.93 0.63 -0.43 1.67 0.00 -0.85 -0.79 119.26 120.42 1k9s h ALA 189 Ca 0.11 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1k9s h ALA 189 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1k9s h ALA 189 CO 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 179.25 178.77 1k9s h ALA 190 N 1.32 0.64 -0.70 0.00 0.00 -1.25 0.19 119.26 119.46 1k9s h ALA 190 Ca 0.24 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1k9s h ALA 190 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1k9s h ALA 190 CO -0.22 0.68 0.30 1.49 0.00 0.00 0.00 179.25 181.49 1k9s h GLU 191 N 0.80 1.03 -0.53 0.00 4.81 -0.49 -3.15 114.58 117.06 1k9s h GLU 191 Ca 0.08 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1k9s h GLU 191 Cb 0.89 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1k9s h GLU 191 CO 0.08 0.85 0.00 1.19 -0.73 0.00 0.00 179.01 180.40 1k9s n PHE 192 N -4.39 0.90 -3.16 0.92 3.72 -0.36 -5.01 117.46 110.09 1k9s n PHE 192 Ca 0.05 -0.56 -0.15 0.00 -0.05 0.00 0.00 57.45 56.74 1k9s n PHE 192 Cb 0.16 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.91 -0.11 2.04 1.37 0.00 -0.15 -4.99 105.19 104.26 1k9s n GLY 193 Ca 0.20 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.84 0.28 -2.41 4.61 0.00 0.49 -5.02 120.51 114.61 1k9s n ALA 194 Ca -0.08 -1.26 -0.28 0.00 0.00 0.00 0.00 53.44 51.82 1k9s n ALA 194 Cb 0.57 0.67 -0.15 0.00 0.00 0.00 0.00 19.45 20.53 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 -3.06 1.72 0.08 0.00 1.02 -0.65 -4.49 119.74 114.37 1k9s s LYS 195 Ca 0.03 -0.81 -0.05 0.00 0.02 0.00 0.00 55.97 55.16 1k9s s LYS 195 Cb -0.00 -1.69 -0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1k9s s LYS 195 CO 0.02 0.46 0.09 0.00 -0.92 0.00 0.00 175.35 175.00 1k9s s ALA 196 N -0.56 0.23 -0.13 5.17 0.00 -1.26 -1.07 121.76 124.14 1k9s s ALA 196 Ca 0.08 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 1k9s s ALA 196 Cb -0.08 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.56 1k9s s ALA 196 CO -0.00 -0.46 0.47 -1.17 0.00 0.00 0.00 175.76 174.59 1k9s s LEU 197 N -2.92 0.20 -0.11 0.00 2.96 -0.36 -1.63 118.68 116.82 1k9s s LEU 197 Ca 0.09 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1k9s s LEU 197 Cb 0.06 1.69 0.01 0.00 0.50 0.00 0.00 46.19 48.45 1k9s s LEU 197 CO -0.08 -0.29 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.56 1k9s s THR 198 N -0.29 1.89 -0.04 3.68 2.01 -1.26 -0.19 115.64 121.44 1k9s s THR 198 Ca -0.04 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1k9s s THR 198 Cb -0.03 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1k9s s THR 198 CO 0.03 0.52 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.61 1k9s s ILE 199 N 0.65 1.92 0.09 1.82 1.01 0.14 -1.34 121.20 125.50 1k9s s ILE 199 Ca -0.12 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.55 1k9s s ILE 199 Cb -0.16 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1k9s s ILE 199 CO 0.03 0.54 -0.10 0.00 0.00 0.00 0.00 174.94 175.41 1k9s s THR 201 N -2.37 3.78 -0.48 0.00 2.01 0.11 -0.59 115.64 118.10 1k9s s THR 201 Ca 0.05 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 1k9s s THR 201 Cb -0.03 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1k9s s THR 201 CO 0.00 0.53 1.70 -0.69 -0.69 0.00 0.00 174.62 175.47 1k9s s VAL 202 N -0.03 3.55 -0.81 3.82 1.01 0.10 -1.88 120.40 126.16 1k9s s VAL 202 Ca 0.01 0.48 0.24 0.00 0.00 0.00 0.00 61.98 62.70 1k9s s VAL 202 Cb -0.13 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1k9s s VAL 202 CO 0.03 -0.77 1.20 -1.54 0.00 0.00 0.00 175.10 174.02 1k9s n SER 203 N 10.82 0.63 -3.47 3.32 3.41 -0.21 -1.28 113.62 126.84 1k9s n SER 203 Ca 0.19 -0.27 -0.11 0.00 -0.26 0.00 0.00 58.87 58.43 1k9s n SER 203 Cb 0.49 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.93 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 -3.51 -0.48 -0.23 4.04 1.47 -1.23 -2.26 116.67 114.49 1k9s s ASP 204 Ca 0.07 0.05 -0.01 0.00 1.18 0.00 0.00 52.55 53.85 1k9s s ASP 204 Cb 0.16 0.49 0.02 0.00 -0.34 0.00 0.00 42.92 43.25 1k9s s ASP 204 CO 0.76 -0.78 -0.10 -2.28 0.68 0.00 0.00 175.17 173.45 1k9s s HIS 205 N -3.26 2.98 0.51 2.11 2.46 -0.30 -1.07 115.29 118.73 1k9s s HIS 205 Ca 0.02 -1.56 0.17 0.00 0.47 0.00 0.00 55.06 54.16 1k9s s HIS 205 Cb -0.01 -2.01 1.27 0.00 -0.13 0.00 0.00 32.58 31.70 1k9s s HIS 205 CO -0.10 -0.74 2.14 0.82 -2.47 0.00 0.00 174.74 174.39 1k9s h ILE 206 N 6.07 0.99 0.00 0.89 2.04 -1.54 0.25 117.51 126.21 1k9s h ILE 206 Ca -0.37 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1k9s h ILE 206 Cb 1.12 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1k9s h ILE 206 CO 0.59 0.02 -0.29 0.03 0.00 0.00 0.00 178.15 178.50 1k9s h ARG 207 N 0.00 0.00 0.00 2.37 -0.00 -1.89 -3.36 114.38 111.50 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1k9s h ARG 207 CO 0.00 0.21 0.00 0.25 0.00 0.00 0.00 179.97 180.44 1k9s n THR 208 N -4.67 0.37 -0.92 2.04 -2.24 -1.22 -4.84 114.28 102.79 1k9s n THR 208 Ca -0.07 0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1k9s n THR 208 Cb 0.21 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.32 -0.07 -2.57 4.78 8.25 0.89 -4.88 115.22 120.30 1k9s n HIS 209 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 1k9s n HIS 209 Cb 0.18 -1.92 -0.03 0.00 1.12 0.00 0.00 29.99 29.35 1k9s n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1k9s s GLU 210 N -1.95 4.37 -0.08 -0.41 2.12 -1.22 -4.83 118.70 116.70 1k9s s GLU 210 Ca 0.00 1.53 -0.03 0.00 0.36 0.00 0.00 54.97 56.83 1k9s s GLU 210 Cb 0.00 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1k9s s GLU 210 CO 0.00 -0.41 0.05 -0.65 -0.54 0.00 0.00 175.26 173.71 1k9s s GLN 211 N 2.23 3.11 0.57 4.30 -0.21 -1.26 -1.15 119.66 127.26 1k9s s GLN 211 Ca 0.52 -0.35 -0.20 0.00 0.02 0.00 0.00 55.36 55.35 1k9s s GLN 211 Cb -0.21 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 30.85 1k9s s GLN 211 CO 0.19 0.72 1.26 0.99 -2.12 0.00 0.00 175.29 176.33 1k9s s THR 212 N -0.97 2.42 0.23 -0.19 2.01 -0.96 -4.94 115.64 113.25 1k9s s THR 212 Ca 0.15 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1k9s s THR 212 Cb -0.12 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1k9s s THR 212 CO 0.04 -0.04 1.38 -0.89 -0.69 0.00 0.00 174.62 174.43 1k9s s THR 213 N -1.47 2.90 -0.23 -0.82 2.01 -1.26 -4.85 115.64 111.92 1k9s s THR 213 Ca 0.75 0.75 0.18 0.00 0.31 0.00 0.00 61.69 63.69 1k9s s THR 213 Cb -0.34 -3.48 0.18 0.00 0.01 0.00 0.00 72.50 68.87 1k9s s THR 213 CO 0.38 0.12 1.53 0.00 -0.69 0.00 0.00 174.62 175.97 1k9s n ALA 214 N 2.41 0.96 0.01 7.40 0.00 -1.26 -0.85 120.51 129.17 1k9s n ALA 214 Ca 0.06 0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.49 1k9s n ALA 214 Cb 0.41 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 1k9s n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9s h ALA 215 N 1.85 -0.04 -0.00 0.00 0.00 -2.02 -3.31 119.26 115.74 1k9s h ALA 215 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1k9s h ALA 215 Cb 0.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1k9s h ALA 215 CO 0.00 0.31 -0.04 -0.85 0.00 0.00 0.00 179.25 178.67 1k9s n GLU 216 N -4.26 0.55 -0.03 0.00 0.28 -0.13 -3.55 120.64 113.50 1k9s n GLU 216 Ca -0.14 -0.08 -0.15 0.00 -0.16 0.00 0.00 57.16 56.63 1k9s n GLU 216 Cb 0.72 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 32.00 1k9s n GLU 216 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1k9s h ARG 217 N 0.19 0.35 -0.68 3.44 0.11 -1.09 -3.18 114.38 113.53 1k9s h ARG 217 Ca 0.00 -0.30 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1k9s h ARG 217 Cb 0.29 0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 1k9s h ARG 217 CO 0.00 0.95 0.43 1.96 0.10 0.00 0.00 179.97 183.41 1k9s h GLN 218 N -0.15 0.90 -0.16 0.08 1.08 -1.68 0.45 115.11 115.63 1k9s h GLN 218 Ca -0.03 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1k9s h GLN 218 Cb 1.03 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1k9s h GLN 218 CO 0.08 0.61 -0.09 1.15 -0.95 0.00 0.00 178.83 179.62 1k9s h THR 219 N 0.92 1.32 -0.07 -0.54 2.02 -1.71 -1.92 112.91 112.94 1k9s h THR 219 Ca 0.25 -1.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.09 1k9s h THR 219 Cb -0.08 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1k9s h THR 219 CO -0.05 0.35 -0.67 0.74 0.37 0.00 0.00 175.52 176.26 1k9s h THR 220 N 0.00 1.39 -0.84 3.16 2.02 -1.50 -2.04 112.91 115.11 1k9s h THR 220 Ca 0.03 -2.09 0.06 0.00 0.77 0.00 0.00 66.41 65.18 1k9s h THR 220 Cb 0.58 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 1k9s h THR 220 CO 0.03 0.62 0.55 0.15 0.37 0.00 0.00 175.52 177.24 1k9s h PHE 221 N 0.22 0.97 -0.16 3.16 3.57 -0.05 0.22 116.94 124.87 1k9s h PHE 221 Ca -0.02 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1k9s h PHE 221 Cb 1.21 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1k9s h PHE 221 CO 0.03 0.52 -0.38 -0.91 -2.23 0.00 0.00 178.31 175.34 1k9s h ASN 222 N 0.97 0.38 -0.02 0.41 -0.26 -0.87 -2.30 115.58 113.88 1k9s h ASN 222 Ca 0.35 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1k9s h ASN 222 Cb 0.16 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1k9s h ASN 222 CO -0.12 0.73 0.01 0.44 -1.06 0.00 0.00 177.43 177.43 1k9s h ASP 223 N 0.30 0.03 -0.77 5.81 3.32 0.06 -1.22 116.42 123.95 1k9s h ASP 223 Ca 0.03 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1k9s h ASP 223 Cb 0.82 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 1k9s h ASP 223 CO 0.07 0.05 0.48 -0.03 -1.72 0.00 0.00 179.24 178.09 1k9s h MET 224 N 0.00 0.90 -0.59 3.56 1.85 -0.95 -0.94 114.93 118.76 1k9s h MET 224 Ca 0.01 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 58.96 1k9s h MET 224 Cb 0.03 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 31.83 1k9s h MET 224 CO -0.00 0.60 0.04 0.82 -0.40 0.00 0.00 176.91 177.96 1k9s h ILE 225 N 0.93 1.26 -0.16 1.77 1.08 -1.18 -1.49 117.51 119.72 1k9s h ILE 225 Ca 0.31 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 1k9s h ILE 225 Cb 0.05 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1k9s h ILE 225 CO -0.13 0.40 0.07 0.11 -0.69 0.00 0.00 178.15 177.91 1k9s h LYS 226 N 0.92 0.24 -0.30 2.37 6.56 -0.73 -0.86 116.57 124.77 1k9s h LYS 226 Ca 0.17 -0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.78 1k9s h LYS 226 Cb 0.51 -0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.07 1k9s h LYS 226 CO 0.02 0.30 -0.02 0.82 -2.06 0.00 0.00 179.45 178.52 1k9s h ILE 227 N 0.12 0.76 -0.08 1.86 2.04 -1.06 0.78 117.51 121.93 1k9s h ILE 227 Ca 0.06 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1k9s h ILE 227 Cb 0.15 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1k9s h ILE 227 CO -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 178.15 178.12 1k9s h ALA 228 N 1.27 0.03 -0.25 1.87 0.00 -1.01 0.18 119.26 121.37 1k9s h ALA 228 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1k9s h ALA 228 Cb 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1k9s h ALA 228 CO -0.26 -0.50 0.05 -0.07 0.00 0.00 0.00 179.25 178.47 1k9s h LEU 229 N -0.03 0.38 -1.25 0.00 3.38 -0.90 -2.31 115.31 114.59 1k9s h LEU 229 Ca 0.04 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1k9s h LEU 229 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1k9s h LEU 229 CO -0.10 0.52 -0.07 -0.33 0.09 0.00 0.00 178.44 178.56 1k9s h GLU 230 N 0.22 0.43 -0.30 1.13 4.39 -0.72 -2.20 114.58 117.53 1k9s h GLU 230 Ca 0.08 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1k9s h GLU 230 Cb 0.29 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1k9s h GLU 230 CO 0.00 0.51 -0.03 0.66 -1.16 0.00 0.00 179.01 179.00 1k9s h SER 231 N 0.40 0.44 -0.72 1.42 4.64 -0.32 -2.15 113.55 117.27 1k9s h SER 231 Ca 0.08 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1k9s h SER 231 Cb 0.38 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1k9s h SER 231 CO 0.02 0.53 0.23 0.58 -0.87 0.00 0.00 176.83 177.31 1k9s h VAL 232 N 0.45 1.26 -0.66 0.95 2.07 -0.85 -1.74 116.25 117.73 1k9s h VAL 232 Ca 0.10 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1k9s h VAL 232 Cb 0.34 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1k9s h VAL 232 CO 0.01 0.35 0.15 -0.07 0.02 0.00 0.00 177.57 178.04 1k9s h LEU 233 N 1.06 1.01 -0.64 2.57 3.38 -1.24 -2.24 115.31 119.22 1k9s h LEU 233 Ca 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k9s h LEU 233 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1k9s h LEU 233 CO -0.01 0.99 0.39 -0.07 0.09 0.00 0.00 178.44 179.83 1k9s h LEU 234 N 0.99 0.77 -2.19 1.67 3.38 -1.17 -2.08 115.31 116.67 1k9s h LEU 234 Ca 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1k9s h LEU 234 Cb 0.38 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1k9s h LEU 234 CO 0.00 0.60 -0.04 1.23 0.09 0.00 0.00 178.44 180.32 1k9s h GLY 235 N 0.87 0.00 2.00 0.83 0.00 -0.91 -1.32 103.07 104.55 1k9s h GLY 235 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.47 1k9s h GLY 235 CO -0.04 0.00 -0.41 -0.55 0.00 0.00 0.00 176.54 175.54 1k9s h ASP 236 N 0.00 0.00 0.00 0.19 3.32 -0.80 -3.51 116.42 115.62 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 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1k9s h ASP 236 CO 0.00 0.41 0.00 0.29 -1.72 0.00 0.00 179.24 178.22