#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 0.95 -0.06 0.00 -4.23 -0.31 -5.00 115.64 106.99 1k9s s THR 2 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1k9s s THR 2 Cb 0.00 -2.52 0.31 0.00 1.34 0.00 0.00 72.50 71.62 1k9s s THR 2 CO 0.00 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.31 1k9s h PRO 3 N 1.86 0.00 0.00 3.99 0.11 -2.04 -3.15 132.00 132.77 1k9s h PRO 3 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k9s h PRO 3 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1k9s h PRO 3 CO 0.65 0.00 -0.82 0.72 -0.21 0.00 0.00 178.00 178.34 1k9s n HIS 4 N -2.58 0.00 -3.76 0.65 8.25 -1.26 -4.94 115.22 111.57 1k9s n HIS 4 Ca -0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1k9s n HIS 4 Cb 0.16 -0.08 -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 -2.20 0.46 -1.11 1.59 1.01 -1.19 -4.62 121.20 115.14 1k9s s ILE 5 Ca 0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 1k9s s ILE 5 Cb 0.07 -0.73 0.26 0.00 0.01 0.00 0.00 42.46 42.07 1k9s s ILE 5 CO 0.41 0.10 1.13 0.21 0.00 0.00 0.00 174.94 176.79 1k9s s ASN 6 N 1.92 7.26 0.32 3.58 2.47 -1.26 -1.16 114.94 128.07 1k9s s ASN 6 Ca 0.03 -3.47 -0.10 0.00 0.42 0.00 0.00 52.86 49.75 1k9s s ASN 6 Cb -0.14 -2.23 0.01 0.00 -1.45 0.00 0.00 41.25 37.44 1k9s s ASN 6 CO -0.06 -0.36 0.56 0.00 -3.72 0.00 0.00 177.10 173.51 1k9s s ALA 7 N -0.81 0.02 0.21 1.71 0.00 -1.26 -4.66 121.76 116.97 1k9s s ALA 7 Ca 0.31 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.26 1k9s s ALA 7 Cb -0.09 1.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.99 1k9s s ALA 7 CO -0.07 -0.87 -0.12 -1.21 0.00 0.00 0.00 175.76 173.49 1k9s s GLU 8 N -3.22 1.34 0.13 0.00 0.41 -1.26 -2.41 118.70 113.68 1k9s s GLU 8 Ca 0.24 -1.61 -0.35 0.00 -0.41 0.00 0.00 54.97 52.84 1k9s s GLU 8 Cb -0.02 -1.06 -0.16 0.00 -1.78 0.00 0.00 34.13 31.11 1k9s s GLU 8 CO 0.14 0.14 1.25 -0.12 -0.49 0.00 0.00 175.26 176.18 1k9s n MET 9 N -0.40 1.15 0.00 1.61 0.00 -1.26 -0.97 117.12 117.25 1k9s n MET 9 Ca -0.08 0.41 0.00 0.00 -0.00 0.00 0.00 57.70 58.03 1k9s n MET 9 Cb 0.61 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.85 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 2.26 2.32 0.25 -5.12 0.00 -1.26 -4.91 105.19 98.73 1k9s n GLY 10 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.53 0.00 -3.47 1.61 3.32 -1.43 -3.43 116.42 113.56 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 0.14 -0.68 -0.36 -1.72 0.00 0.00 179.24 176.62 1k9s s PHE 12 N -3.93 2.97 1.02 4.55 0.08 -1.26 -4.73 117.98 116.69 1k9s s PHE 12 Ca -0.01 0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.89 1k9s s PHE 12 Cb 0.12 -1.61 0.20 0.00 -0.57 0.00 0.00 43.02 41.16 1k9s s PHE 12 CO 0.59 0.43 1.16 0.00 -0.10 0.00 0.00 175.22 177.30 1k9s s ALA 13 N -1.10 1.39 -0.89 5.36 0.00 -1.26 -4.94 121.76 120.32 1k9s s ALA 13 Ca 0.20 -0.77 0.25 0.00 0.00 0.00 0.00 51.96 51.63 1k9s s ALA 13 Cb -0.11 -2.95 0.99 0.00 0.00 0.00 0.00 23.12 21.05 1k9s s ALA 13 CO 0.11 -2.80 1.78 -0.40 0.00 0.00 0.00 175.76 174.44 1k9s n ASP 14 N -4.13 0.25 -4.13 0.00 5.75 -1.26 -4.62 116.55 108.41 1k9s n ASP 14 Ca 0.10 0.53 -0.27 0.00 -0.01 0.00 0.00 54.79 55.14 1k9s n ASP 14 Cb 0.59 -0.60 -0.16 0.00 -1.03 0.00 0.00 41.12 39.92 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 -3.05 1.51 -0.07 2.12 1.01 -1.26 -0.49 120.40 120.17 1k9s s VAL 15 Ca 0.11 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1k9s s VAL 15 Cb 0.15 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1k9s s VAL 15 CO 0.48 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 175.22 1k9s s VAL 16 N 0.28 1.01 0.01 2.92 1.01 -0.51 -1.94 120.40 123.18 1k9s s VAL 16 Ca -0.10 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 1k9s s VAL 16 Cb -0.14 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 1k9s s VAL 16 CO 0.04 0.34 0.40 -0.76 0.00 0.00 0.00 175.10 175.11 1k9s s LEU 17 N 0.90 4.46 -0.18 3.92 1.02 -0.02 -1.16 118.68 127.61 1k9s s LEU 17 Ca -0.10 0.93 -0.04 0.00 0.02 0.00 0.00 54.13 54.93 1k9s s LEU 17 Cb -0.15 -2.61 0.06 0.00 0.02 0.00 0.00 46.19 43.51 1k9s s LEU 17 CO 0.01 0.31 0.08 -0.04 0.02 0.00 0.00 176.35 176.73 1k9s s MET 18 N -1.17 0.19 0.59 1.70 -1.94 0.93 -1.51 119.30 118.09 1k9s s MET 18 Ca 0.24 -0.18 -0.01 0.00 -1.71 0.00 0.00 55.69 54.03 1k9s s MET 18 Cb -0.16 -1.87 0.04 0.00 2.01 0.00 0.00 34.83 34.85 1k9s s MET 18 CO 0.14 -0.68 0.85 -1.25 -0.01 0.00 0.00 175.02 174.06 1k9s s PRO 19 N 2.08 2.48 0.09 2.03 0.04 -1.24 -1.61 135.00 138.86 1k9s s PRO 19 Ca 0.02 -0.58 -0.01 0.00 0.04 0.00 0.00 61.00 60.46 1k9s s PRO 19 Cb -0.16 -2.39 -0.26 0.00 0.04 0.00 0.00 34.50 31.73 1k9s s PRO 19 CO -0.10 -0.85 1.18 0.78 0.04 0.00 0.00 177.00 178.06 1k9s h GLY 20 N -0.12 0.23 -6.33 0.56 0.00 -1.86 -1.18 103.07 94.37 1k9s h GLY 20 Ca -0.43 -0.59 -0.61 0.00 0.00 0.00 0.00 47.33 45.70 1k9s h GLY 20 CO 0.55 0.52 0.37 -0.35 0.00 0.00 0.00 176.54 177.63 1k9s s ASP 21 N -7.04 6.64 0.52 0.19 -1.08 -1.26 -1.38 116.67 113.27 1k9s s ASP 21 Ca -0.03 0.63 0.18 0.00 -0.52 0.00 0.00 52.55 52.82 1k9s s ASP 21 Cb 0.08 -2.40 1.30 0.00 -1.46 0.00 0.00 42.92 40.44 1k9s s ASP 21 CO 0.87 -0.61 2.12 1.55 0.52 0.00 0.00 175.17 179.62 1k9s h PRO 22 N 8.13 0.00 0.00 4.34 0.13 -1.87 0.13 132.00 142.86 1k9s h PRO 22 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1k9s h PRO 22 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1k9s h PRO 22 CO 0.88 0.00 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.17 1k9s h LEU 23 N 0.00 0.00 -0.73 1.56 3.38 -1.92 -1.52 115.31 116.08 1k9s h LEU 23 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1k9s h LEU 23 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1k9s h LEU 23 CO -0.00 0.41 -0.62 0.03 0.09 0.00 0.00 178.44 178.35 1k9s h ARG 24 N 0.00 0.05 -0.41 1.13 3.08 -1.16 -2.13 114.38 114.94 1k9s h ARG 24 Ca -0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1k9s h ARG 24 Cb 0.74 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1k9s h ARG 24 CO 0.05 0.66 -0.20 0.00 -1.07 0.00 0.00 179.97 179.41 1k9s h ALA 25 N 1.33 0.87 -0.47 0.04 0.00 -0.75 -1.74 119.26 118.56 1k9s h ALA 25 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1k9s h ALA 25 Cb 1.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1k9s h ALA 25 CO 0.08 0.63 0.04 -0.22 0.00 0.00 0.00 179.25 179.78 1k9s h LYS 26 N 0.71 0.80 -0.24 0.00 3.64 -1.09 -1.94 116.57 118.44 1k9s h LYS 26 Ca 0.10 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1k9s h LYS 26 Cb 0.71 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1k9s h LYS 26 CO 0.05 0.83 0.08 -0.92 -2.27 0.00 0.00 179.45 177.23 1k9s h TYR 27 N 0.66 0.14 -0.37 1.91 3.20 -1.14 -1.06 116.97 120.31 1k9s h TYR 27 Ca 0.14 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1k9s h TYR 27 Cb 0.45 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1k9s h TYR 27 CO 0.03 0.06 0.22 0.82 -1.64 0.00 0.00 178.16 177.66 1k9s h ILE 28 N 0.19 1.04 -0.87 1.81 2.04 -1.18 0.15 117.51 120.68 1k9s h ILE 28 Ca 0.11 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1k9s h ILE 28 Cb 0.08 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1k9s h ILE 28 CO -0.11 0.08 0.50 0.00 0.00 0.00 0.00 178.15 178.61 1k9s h ALA 29 N 1.16 1.25 0.04 1.87 0.00 -1.05 0.23 119.26 122.77 1k9s h ALA 29 Ca 0.15 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1k9s h ALA 29 Cb 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1k9s h ALA 29 CO -0.07 0.63 -1.03 0.93 0.00 0.00 0.00 179.25 179.71 1k9s h GLU 30 N 1.20 0.30 0.15 0.00 5.08 -0.78 -2.95 114.58 117.58 1k9s h GLU 30 Ca 0.31 -0.39 -0.35 0.00 -1.00 0.00 0.00 59.36 57.93 1k9s h GLU 30 Cb -0.01 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1k9s h GLU 30 CO -0.05 1.11 -1.85 1.15 -1.00 0.00 0.00 179.01 178.37 1k9s h THR 31 N 0.14 0.79 0.00 1.13 2.02 -0.57 -3.42 112.91 112.99 1k9s h THR 31 Ca -0.09 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.68 1k9s h THR 31 Cb 1.70 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.73 1k9s h THR 31 CO 0.17 0.86 -1.17 0.49 0.37 0.00 0.00 175.52 176.24 1k9s n PHE 32 N -3.58 0.00 -4.07 3.16 3.01 0.79 -5.02 117.46 111.74 1k9s n PHE 32 Ca -0.28 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 57.96 1k9s n PHE 32 Cb 1.04 -0.17 -0.04 0.00 -0.01 0.00 0.00 39.48 40.31 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 -3.35 3.95 -0.12 4.37 1.43 -1.11 -4.74 118.68 119.11 1k9s s LEU 33 Ca -0.01 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1k9s s LEU 33 Cb 0.09 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 1k9s s LEU 33 CO 0.53 -0.04 0.01 -0.70 0.23 0.00 0.00 176.35 176.38 1k9s s GLU 34 N -3.83 3.37 -1.45 1.70 2.56 0.28 -4.57 118.70 116.76 1k9s s GLU 34 Ca 0.33 -0.42 -0.06 0.00 0.00 0.00 0.00 54.97 54.82 1k9s s GLU 34 Cb -0.08 -2.91 0.04 0.00 2.00 0.00 0.00 34.13 33.18 1k9s s GLU 34 CO 0.26 0.50 0.67 -0.25 -0.56 0.00 0.00 175.26 175.89 1k9s n ASP 35 N 2.76 -1.99 -4.75 -1.70 8.00 -1.26 -2.08 116.55 115.54 1k9s n ASP 35 Ca -0.18 -0.91 -0.41 0.00 0.71 0.00 0.00 54.79 54.00 1k9s n ASP 35 Cb 0.53 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.14 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 -3.64 3.47 -0.03 2.24 0.00 -1.26 -4.61 121.76 117.94 1k9s s ALA 36 Ca 0.26 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.36 1k9s s ALA 36 Cb -0.14 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1k9s s ALA 36 CO 0.86 -0.44 -0.20 0.50 0.00 0.00 0.00 175.76 176.48 1k9s s ARG 37 N -1.02 1.76 -0.06 0.00 3.52 -0.20 -4.93 118.95 118.03 1k9s s ARG 37 Ca 0.50 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 55.10 1k9s s ARG 37 Cb -0.36 -1.63 -0.03 0.00 -1.56 0.00 0.00 34.95 31.38 1k9s s ARG 37 CO 0.43 0.38 1.15 -2.00 -0.81 0.00 0.00 175.30 174.45 1k9s s GLU 38 N -0.30 4.38 -0.00 5.12 2.12 -1.26 -1.06 118.70 127.70 1k9s s GLU 38 Ca 0.03 1.60 0.08 0.00 0.36 0.00 0.00 54.97 57.05 1k9s s GLU 38 Cb -0.09 -3.53 -0.09 0.00 0.26 0.00 0.00 34.13 30.67 1k9s s GLU 38 CO 0.00 -0.39 0.30 1.33 -0.54 0.00 0.00 175.26 175.97 1k9s n VAL 39 N 4.52 0.00 -3.77 3.70 0.24 0.12 -4.95 118.33 118.19 1k9s n VAL 39 Ca 0.10 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1k9s n VAL 39 Cb 0.47 0.88 -0.11 0.00 -1.47 0.00 0.00 33.84 33.61 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 -1.94 -0.31 0.00 -1.34 3.84 -1.07 -4.37 114.94 109.75 1k9s s ASN 40 Ca 0.02 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.65 1k9s s ASN 40 Cb 0.06 0.60 0.00 0.00 -0.55 0.00 0.00 41.25 41.36 1k9s s ASN 40 CO 0.32 -0.16 0.34 -0.46 -2.79 0.00 0.00 177.10 174.35 1k9s n ASN 41 N 2.67 0.00 -4.74 -4.21 2.04 -1.26 -1.87 115.26 107.89 1k9s n ASN 41 Ca -0.14 -1.00 -0.42 0.00 -0.44 0.00 0.00 54.58 52.58 1k9s n ASN 41 Cb 0.58 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.81 1k9s n ASN 41 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1k9s n VAL 42 N 0.00 0.86 -1.55 3.53 0.31 -1.26 -0.97 118.33 119.25 1k9s n VAL 42 Ca 0.00 -0.21 -0.19 0.00 -0.01 0.00 0.00 64.34 63.93 1k9s n VAL 42 Cb 0.44 -1.97 -0.08 0.00 -0.91 0.00 0.00 33.84 31.32 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 2.45 -1.44 -1.03 5.55 1.74 -1.26 -1.49 116.66 121.18 1k9s n ARG 43 Ca 0.10 1.13 -0.01 0.00 -0.77 0.00 0.00 57.85 58.30 1k9s n ARG 43 Cb 0.36 -5.49 -0.00 0.00 -1.02 0.00 0.00 32.46 26.31 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 -0.33 0.35 3.32 -0.13 0.00 -0.14 -4.92 105.19 103.33 1k9s n GLY 44 Ca -0.19 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.19 3.37 -1.64 1.61 0.00 -0.55 -4.82 117.12 113.90 1k9s n MET 45 Ca -0.01 -3.62 -0.48 0.00 0.00 0.00 0.00 57.70 53.59 1k9s n MET 45 Cb 0.26 -3.10 -0.05 0.00 0.00 0.00 0.00 33.22 30.33 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 5.73 2.56 -4.04 -0.89 4.77 -1.26 -4.47 117.00 119.40 1k9s n LEU 46 Ca 0.40 1.10 -0.21 0.00 -0.03 0.00 0.00 56.01 57.27 1k9s n LEU 46 Cb 0.42 -1.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.01 1k9s n LEU 46 CO 0.70 -0.58 -0.45 -0.83 -1.33 0.00 0.00 177.39 174.91 1k9s s GLY 47 N 0.73 0.59 0.10 -0.72 0.00 -0.78 -2.31 107.32 104.93 1k9s s GLY 47 Ca 0.80 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1k9s s GLY 47 CO 0.41 -0.24 -0.10 -1.36 0.00 0.00 0.00 173.10 171.82 1k9s s PHE 48 N 0.01 1.04 -0.06 1.90 0.40 0.12 0.11 117.98 121.50 1k9s s PHE 48 Ca -0.00 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1k9s s PHE 48 Cb -0.07 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 42.90 1k9s s PHE 48 CO 0.00 -0.01 -0.08 0.99 0.70 0.00 0.00 175.22 176.82 1k9s s THR 49 N -2.47 0.86 0.00 0.64 2.01 -0.23 -0.70 115.64 115.76 1k9s s THR 49 Ca 0.05 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1k9s s THR 49 Cb -0.03 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1k9s s THR 49 CO -0.00 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 1k9s n GLY 50 N 4.06 4.09 3.19 4.40 0.00 -0.33 -1.03 105.19 119.57 1k9s n GLY 50 Ca -0.22 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.67 1.17 -0.10 2.61 -4.23 -0.88 -0.96 115.64 111.58 1k9s s THR 51 Ca 0.00 -1.42 -0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1k9s s THR 51 Cb 0.00 -1.20 0.02 0.00 1.34 0.00 0.00 72.50 72.66 1k9s s THR 51 CO 0.00 -0.27 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.27 1k9s s TYR 52 N -1.50 1.36 -1.62 3.99 5.04 0.98 -0.56 117.35 125.04 1k9s s TYR 52 Ca 0.01 -0.64 -0.11 0.00 -2.44 0.00 0.00 57.07 53.89 1k9s s TYR 52 Cb -0.09 -1.15 0.10 0.00 0.35 0.00 0.00 41.96 41.17 1k9s s TYR 52 CO 0.02 -0.46 0.56 1.63 -1.34 0.00 0.00 175.55 175.96 1k9s n LYS 53 N 4.85 -2.63 -0.32 4.97 5.02 -1.26 0.46 118.16 129.24 1k9s n LYS 53 Ca -0.13 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1k9s n LYS 53 Cb 0.50 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 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 -1.69 2.26 3.69 0.72 0.00 -1.26 -5.00 105.19 103.91 1k9s n GLY 54 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.01 4.28 0.10 1.61 3.00 0.17 -5.01 118.95 123.10 1k9s s ARG 55 Ca 0.00 0.53 -0.31 0.00 -1.00 0.00 0.00 55.73 54.95 1k9s s ARG 55 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 34.95 31.37 1k9s s ARG 55 CO 0.00 -0.02 1.40 0.21 0.00 0.00 0.00 175.30 176.88 1k9s s LYS 56 N 1.20 4.31 -0.09 5.12 2.20 -1.26 -0.01 119.74 131.22 1k9s s LYS 56 Ca 0.27 2.07 -0.11 0.00 -0.36 0.00 0.00 55.97 57.84 1k9s s LYS 56 Cb -0.16 -3.30 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1k9s s LYS 56 CO 0.11 -0.46 0.29 0.42 -0.36 0.00 0.00 175.35 175.35 1k9s s ILE 57 N 1.29 0.02 0.21 5.43 1.01 -0.13 -4.72 121.20 124.30 1k9s s ILE 57 Ca 0.65 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 61.25 1k9s s ILE 57 Cb -0.36 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1k9s s ILE 57 CO 0.30 -0.07 -0.05 -0.44 0.00 0.00 0.00 174.94 174.68 1k9s s SER 58 N -0.22 4.44 -0.03 3.58 0.01 -0.82 -1.18 113.70 119.49 1k9s s SER 58 Ca -0.03 -0.58 -0.01 0.00 1.31 0.00 0.00 55.95 56.63 1k9s s SER 58 Cb -0.03 -0.81 0.02 0.00 0.21 0.00 0.00 66.02 65.41 1k9s s SER 58 CO 0.01 0.06 0.06 0.54 0.41 0.00 0.00 173.24 174.33 1k9s s VAL 59 N -1.96 -0.03 -0.21 3.43 0.11 0.13 -0.84 120.40 121.03 1k9s s VAL 59 Ca 0.28 0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 59.23 1k9s s VAL 59 Cb -0.08 -0.11 0.06 0.00 -1.53 0.00 0.00 36.38 34.71 1k9s s VAL 59 CO 0.18 0.05 0.59 -0.32 -3.33 0.00 0.00 175.10 172.26 1k9s s MET 60 N 0.63 0.71 0.69 1.54 0.00 -0.57 0.16 119.30 122.46 1k9s s MET 60 Ca -0.05 0.77 -0.14 0.00 0.00 0.00 0.00 55.69 56.27 1k9s s MET 60 Cb -0.07 0.35 0.02 0.00 0.00 0.00 0.00 34.83 35.12 1k9s s MET 60 CO -0.02 -0.10 1.11 0.20 0.00 0.00 0.00 175.02 176.21 1k9s s GLY 61 N 0.20 2.05 0.00 2.11 0.00 -0.98 -3.71 107.32 106.99 1k9s s GLY 61 Ca -0.01 0.50 0.02 0.00 0.00 0.00 0.00 44.72 45.23 1k9s s GLY 61 CO 0.01 0.85 0.39 -2.39 0.00 0.00 0.00 173.10 171.96 1k9s n HIS 62 N -2.71 0.00 -0.15 1.90 1.44 -0.45 -4.89 115.22 110.36 1k9s n HIS 62 Ca 0.10 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.83 1k9s n HIS 62 Cb 0.52 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.62 1k9s n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1k9s n GLY 63 N 0.45 -1.73 3.76 -1.39 0.00 -0.48 -2.99 105.19 102.81 1k9s n GLY 63 Ca 0.01 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.71 4.17 0.00 1.61 1.00 -1.26 -4.62 119.30 118.49 1k9s s MET 64 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 55.69 56.03 1k9s s MET 64 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 34.83 31.47 1k9s s MET 64 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 175.02 175.79 1k9s n GLY 65 N 2.81 1.22 0.20 -0.03 0.00 -1.25 -4.41 105.19 103.74 1k9s n GLY 65 Ca -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 0.89 -0.73 -0.61 2.04 -1.73 -2.36 117.51 115.01 1k9s h ILE 66 Ca 0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1k9s h ILE 66 Cb 0.00 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1k9s h ILE 66 CO 0.00 0.08 0.36 -0.65 0.00 0.00 0.00 178.15 177.94 1k9s h PRO 67 N 0.43 1.03 0.24 2.37 0.11 -1.91 -0.28 132.00 134.00 1k9s h PRO 67 Ca 0.23 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1k9s h PRO 67 Cb 0.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1k9s h PRO 67 CO -0.20 0.79 -0.12 1.03 -0.21 0.00 0.00 178.00 179.29 1k9s h SER 68 N 1.03 -0.27 0.70 -2.05 0.87 -1.69 -3.07 113.55 109.06 1k9s h SER 68 Ca 0.25 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1k9s h SER 68 Cb 0.08 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1k9s h SER 68 CO -0.04 0.06 -0.16 0.00 -0.53 0.00 0.00 176.83 176.16 1k9s h SER 70 N 0.00 0.66 0.40 0.00 0.02 -1.02 -1.36 113.55 112.25 1k9s h SER 70 Ca -0.00 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1k9s h SER 70 Cb 0.56 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1k9s h SER 70 CO 0.02 0.85 -0.19 0.40 -1.14 0.00 0.00 176.83 176.78 1k9s h ILE 71 N 0.59 0.60 -0.58 3.27 2.04 -1.39 -2.39 117.51 119.65 1k9s h ILE 71 Ca 0.09 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1k9s h ILE 71 Cb 0.65 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1k9s h ILE 71 CO 0.05 0.06 0.27 1.88 0.00 0.00 0.00 178.15 180.41 1k9s h TYR 72 N -0.74 0.84 -0.40 1.37 0.05 -1.51 -2.36 116.97 114.22 1k9s h TYR 72 Ca -0.05 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.55 1k9s h TYR 72 Cb 0.51 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1k9s h TYR 72 CO -0.00 0.65 -0.26 1.79 -1.05 0.00 0.00 178.16 179.29 1k9s h THR 73 N 0.78 1.27 0.18 -2.88 1.35 -1.32 -1.22 112.91 111.07 1k9s h THR 73 Ca 0.20 -1.40 -0.01 0.00 -0.55 0.00 0.00 66.41 64.65 1k9s h THR 73 Cb 0.13 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1k9s h THR 73 CO -0.02 0.47 -0.09 0.50 -0.25 0.00 0.00 175.52 176.13 1k9s h LYS 74 N 0.72 -0.23 -0.50 4.72 3.11 -1.30 -2.22 116.57 120.88 1k9s h LYS 74 Ca 0.09 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1k9s h LYS 74 Cb 0.80 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.06 1k9s h LYS 74 CO 0.07 -0.14 0.32 0.93 -2.81 0.00 0.00 179.45 177.82 1k9s h GLU 75 N -0.25 0.67 -1.00 1.90 5.08 -1.34 -0.50 114.58 119.14 1k9s h GLU 75 Ca -0.02 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1k9s h GLU 75 Cb 0.20 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1k9s h GLU 75 CO 0.04 0.46 0.64 -0.07 -1.00 0.00 0.00 179.01 179.08 1k9s h LEU 76 N 0.67 0.99 0.12 1.33 3.38 -1.15 0.33 115.31 120.98 1k9s h LEU 76 Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1k9s h LEU 76 Cb -0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1k9s h LEU 76 CO -0.04 0.58 -0.06 0.40 0.09 0.00 0.00 178.44 179.42 1k9s h ILE 77 N 1.09 0.91 0.00 1.22 2.04 -0.88 -1.37 117.51 120.52 1k9s h ILE 77 Ca 0.46 -1.28 -0.15 0.00 1.00 0.00 0.00 64.86 64.89 1k9s h ILE 77 Cb 0.32 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1k9s h ILE 77 CO -0.21 0.25 -0.69 0.71 0.00 0.00 0.00 178.15 178.21 1k9s h THR 78 N -0.88 1.24 0.00 -0.27 1.35 -1.03 -3.18 112.91 110.14 1k9s h THR 78 Ca -0.02 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 1k9s h THR 78 Cb 0.54 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1k9s h THR 78 CO 0.03 0.68 -1.08 0.47 -0.25 0.00 0.00 175.52 175.37 1k9s n ASP 79 N -3.33 1.65 -0.01 5.36 8.00 0.11 -4.63 116.55 123.71 1k9s n ASP 79 Ca 0.01 -0.32 0.01 0.00 0.71 0.00 0.00 54.79 55.20 1k9s n ASP 79 Cb 0.79 1.29 0.01 0.00 -0.02 0.00 0.00 41.12 43.19 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 -1.62 1.24 3.72 -0.94 -4.50 117.46 113.74 1k9s n PHE 80 Ca -0.00 -0.48 -0.18 0.00 -0.05 0.00 0.00 57.45 56.73 1k9s n PHE 80 Cb 0.23 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.51 1.54 3.75 1.37 0.00 -1.02 -4.62 105.19 105.69 1k9s n GLY 81 Ca 0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.70 2.93 -0.16 1.61 1.01 -0.56 -4.77 120.40 117.75 1k9s s VAL 82 Ca 0.00 0.83 0.09 0.00 0.00 0.00 0.00 61.98 62.90 1k9s s VAL 82 Cb 0.00 -3.53 -0.16 0.00 0.00 0.00 0.00 36.38 32.69 1k9s s VAL 82 CO 0.00 0.15 -0.03 0.29 0.00 0.00 0.00 175.10 175.51 1k9s n LYS 83 N 1.88 1.15 -4.48 2.72 4.76 0.36 -4.50 118.16 120.04 1k9s n LYS 83 Ca 0.04 0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.30 1k9s n LYS 83 Cb 0.42 -1.38 -0.16 0.00 -1.84 0.00 0.00 35.03 32.07 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 -2.37 1.14 -0.09 1.97 1.02 -0.65 -1.94 119.74 118.82 1k9s s LYS 84 Ca -0.14 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.51 1k9s s LYS 84 Cb 0.05 -1.04 0.01 0.00 -0.52 0.00 0.00 37.83 36.33 1k9s s LYS 84 CO 0.55 0.14 -0.17 0.42 -0.92 0.00 0.00 175.35 175.36 1k9s s ILE 85 N 0.17 1.57 -0.21 2.17 1.01 -0.52 -1.42 121.20 123.96 1k9s s ILE 85 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1k9s s ILE 85 Cb -0.09 -1.40 0.05 0.00 0.01 0.00 0.00 42.46 41.03 1k9s s ILE 85 CO 0.01 0.45 -0.11 -0.63 0.00 0.00 0.00 174.94 174.67 1k9s s ILE 86 N 0.61 1.76 0.02 2.92 1.01 -0.31 -1.15 121.20 126.06 1k9s s ILE 86 Ca -0.15 -1.15 -0.25 0.00 0.00 0.00 0.00 60.65 59.11 1k9s s ILE 86 Cb -0.16 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1k9s s ILE 86 CO 0.05 0.13 0.75 -0.60 0.00 0.00 0.00 174.94 175.26 1k9s s ARG 87 N 1.33 4.47 -0.29 2.79 3.52 0.89 -0.05 118.95 131.61 1k9s s ARG 87 Ca -0.03 1.02 0.03 0.00 -0.13 0.00 0.00 55.73 56.62 1k9s s ARG 87 Cb -0.17 -3.38 0.08 0.00 -1.56 0.00 0.00 34.95 29.92 1k9s s ARG 87 CO -0.08 0.25 -0.02 0.14 -0.81 0.00 0.00 175.30 174.79 1k9s s VAL 88 N 0.09 2.02 0.00 7.11 -7.23 -0.63 -0.73 120.40 121.02 1k9s s VAL 88 Ca 0.38 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1k9s s VAL 88 Cb -0.20 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1k9s s VAL 88 CO 0.22 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1k9s n GLY 89 N 4.42 5.22 3.52 2.32 0.00 -0.40 -4.03 105.19 116.25 1k9s n GLY 89 Ca -0.05 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 1k9s n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9s s SER 90 N 0.51 3.78 0.13 1.61 1.04 -1.26 -1.31 113.70 118.21 1k9s s SER 90 Ca 0.00 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.23 1k9s s SER 90 Cb 0.00 -0.39 0.03 0.00 0.10 0.00 0.00 66.02 65.77 1k9s s SER 90 CO 0.00 -0.06 0.41 0.00 0.98 0.00 0.00 173.24 174.56 1k9s s GLY 92 N -2.82 2.19 0.11 0.00 0.00 -0.24 -1.14 107.32 105.42 1k9s s GLY 92 Ca 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 44.72 44.03 1k9s s GLY 92 CO -0.11 -0.70 0.04 0.00 0.00 0.00 0.00 173.10 172.33 1k9s s ALA 93 N -1.42 3.38 -0.01 3.20 0.00 -0.30 0.17 121.76 126.78 1k9s s ALA 93 Ca 0.31 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1k9s s ALA 93 Cb -0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 1k9s s ALA 93 CO 0.23 0.66 0.04 1.33 0.00 0.00 0.00 175.76 178.02 1k9s n VAL 94 N 0.34 0.02 -2.69 0.00 0.24 -1.26 -1.03 118.33 113.95 1k9s n VAL 94 Ca -0.10 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.34 61.74 1k9s n VAL 94 Cb 0.53 0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 33.07 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 -3.30 4.49 0.44 1.34 1.43 -1.26 -4.75 118.68 117.06 1k9s s LEU 95 Ca -0.01 1.84 0.10 0.00 -1.03 0.00 0.00 54.13 55.04 1k9s s LEU 95 Cb 0.01 -3.59 0.98 0.00 0.03 0.00 0.00 46.19 43.62 1k9s s LEU 95 CO 0.08 -0.10 2.07 1.55 0.23 0.00 0.00 176.35 180.18 1k9s h PRO 96 N 5.54 0.39 -0.03 1.29 0.13 -1.99 -2.17 132.00 135.16 1k9s h PRO 96 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k9s h PRO 96 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1k9s h PRO 96 CO 0.72 0.26 0.00 0.72 -0.23 0.00 0.00 178.00 179.47 1k9s n HIS 97 N -4.49 0.02 -3.47 1.56 8.25 -1.26 -4.73 115.22 111.10 1k9s n HIS 97 Ca 0.02 -0.01 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 1k9s n HIS 97 Cb 0.10 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.98 5.25 0.30 1.59 1.01 -0.82 -5.07 120.40 120.69 1k9s s VAL 98 Ca 0.39 0.59 0.08 0.00 0.00 0.00 0.00 61.98 63.04 1k9s s VAL 98 Cb 0.21 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1k9s s VAL 98 CO 0.33 0.30 0.11 -1.59 0.00 0.00 0.00 175.10 174.25 1k9s s LYS 99 N 1.03 2.43 0.33 2.72 -2.85 -1.26 -4.81 119.74 117.32 1k9s s LYS 99 Ca 0.17 -1.43 -0.28 0.00 -1.00 0.00 0.00 55.97 53.43 1k9s s LYS 99 Cb -0.14 -2.23 -0.13 0.00 -2.06 0.00 0.00 37.83 33.27 1k9s s LYS 99 CO 0.06 0.24 1.25 -0.11 0.10 0.00 0.00 175.35 176.89 1k9s n LEU 100 N -1.08 3.25 0.00 2.77 7.94 -1.26 -1.44 117.00 127.19 1k9s n LEU 100 Ca -0.05 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1k9s n LEU 100 Cb 0.60 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1k9s n LEU 100 CO 0.42 -0.63 0.00 0.54 -1.11 0.00 0.00 177.39 176.61 1k9s n ARG 101 N 0.66 0.00 -2.11 1.96 1.74 0.23 -4.96 116.66 114.17 1k9s n ARG 101 Ca 0.06 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 1k9s n ARG 101 Cb 0.35 -2.58 0.02 0.00 -1.02 0.00 0.00 32.46 29.23 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 -3.03 5.52 -0.22 0.55 1.11 -0.52 -4.67 116.67 115.41 1k9s s ASP 102 Ca 0.00 2.16 -0.10 0.00 0.18 0.00 0.00 52.55 54.79 1k9s s ASP 102 Cb 0.00 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 1k9s s ASP 102 CO 0.00 -1.36 0.13 -0.69 1.18 0.00 0.00 175.17 174.43 1k9s s VAL 103 N -1.89 5.18 -0.04 -1.27 1.01 -1.26 -0.99 120.40 121.14 1k9s s VAL 103 Ca 0.72 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1k9s s VAL 103 Cb -0.24 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1k9s s VAL 103 CO 0.31 0.39 -0.25 0.68 0.00 0.00 0.00 175.10 176.23 1k9s s VAL 104 N 0.83 1.99 -0.21 2.92 -7.23 0.58 -1.58 120.40 117.69 1k9s s VAL 104 Ca 0.07 -1.05 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1k9s s VAL 104 Cb -0.13 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1k9s s VAL 104 CO 0.02 0.56 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.71 1k9s s ILE 105 N -0.36 3.56 -0.87 -0.62 1.01 0.77 -0.60 121.20 124.08 1k9s s ILE 105 Ca 0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 1k9s s ILE 105 Cb -0.12 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.82 1k9s s ILE 105 CO 0.01 0.43 1.22 -0.83 0.00 0.00 0.00 174.94 175.78 1k9s s GLY 106 N 1.23 1.42 0.38 6.18 0.00 -0.56 -1.58 107.32 114.39 1k9s s GLY 106 Ca 0.03 -2.18 0.17 0.00 0.00 0.00 0.00 44.72 42.74 1k9s s GLY 106 CO -0.01 2.35 1.78 1.98 0.00 0.00 0.00 173.10 179.20 1k9s h MET 107 N 9.50 0.00 -4.45 2.90 4.05 -1.16 -3.40 114.93 122.38 1k9s h MET 107 Ca 0.00 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 1k9s h MET 107 Cb 1.03 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.68 1k9s h MET 107 CO 1.26 0.38 -0.66 0.20 0.23 0.00 0.00 176.91 178.32 1k9s s GLY 108 N -4.34 0.86 -0.11 1.39 0.00 -1.11 -1.51 107.32 102.49 1k9s s GLY 108 Ca -0.01 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 1k9s s GLY 108 CO 0.70 -1.38 0.13 0.00 0.00 0.00 0.00 173.10 172.55 1k9s s ALA 109 N -3.92 0.03 0.73 3.20 0.00 -0.03 -1.29 121.76 120.49 1k9s s ALA 109 Ca 0.18 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1k9s s ALA 109 Cb 0.07 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1k9s s ALA 109 CO -0.02 -0.78 1.11 0.00 0.00 0.00 0.00 175.76 176.08 1k9s s THR 111 N -3.38 0.00 -0.89 0.00 -1.32 -1.26 -0.31 115.64 108.48 1k9s s THR 111 Ca 0.59 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.20 1k9s s THR 111 Cb -0.11 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.26 1k9s s THR 111 CO 0.51 0.00 1.32 -0.90 -2.21 0.00 0.00 174.62 173.35 1k9s n ASP 112 N 0.01 3.25 -4.86 8.08 5.68 -1.22 -4.98 116.55 122.51 1k9s n ASP 112 Ca -0.13 -2.19 -0.31 0.00 -0.50 0.00 0.00 54.79 51.66 1k9s n ASP 112 Cb 0.61 -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 -1.14 6.31 0.00 -1.12 0.15 -1.26 -4.87 113.70 111.76 1k9s s SER 113 Ca 0.29 1.46 0.25 0.00 0.70 0.00 0.00 55.95 58.66 1k9s s SER 113 Cb 0.18 -2.48 0.39 0.00 -1.71 0.00 0.00 66.02 62.39 1k9s s SER 113 CO 0.16 -0.81 1.37 1.17 1.20 0.00 0.00 173.24 176.33 1k9s n LYS 114 N -2.46 2.08 -0.33 5.44 4.81 -1.26 -4.65 118.16 121.80 1k9s n LYS 114 Ca 0.06 -1.62 -0.00 0.00 -0.87 0.00 0.00 58.31 55.88 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 3.95 1.20 0.00 3.15 -1.51 -2.00 -2.06 116.25 118.98 1k9s h VAL 115 Ca 0.00 -0.42 -0.12 0.00 -1.23 0.00 0.00 66.70 64.94 1k9s h VAL 115 Cb 0.86 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.88 1k9s h VAL 115 CO 0.00 0.22 -0.55 0.78 -1.23 0.00 0.00 177.57 176.79 1k9s h ASN 116 N 1.22 0.00 0.32 4.19 -0.26 -1.94 -2.34 115.58 116.76 1k9s h ASN 116 Ca 0.36 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.98 1k9s h ASN 116 Cb -0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1k9s h ASN 116 CO -0.09 0.55 -0.46 0.03 -1.06 0.00 0.00 177.43 176.39 1k9s h ARG 117 N 0.00 0.17 -0.27 0.81 3.08 -1.68 0.18 114.38 116.68 1k9s h ARG 117 Ca -0.01 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1k9s h ARG 117 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1k9s h ARG 117 CO 0.07 0.60 -0.38 0.82 -1.07 0.00 0.00 179.97 180.02 1k9s h ILE 118 N 0.14 1.29 -0.02 2.04 2.04 -1.09 0.13 117.51 122.04 1k9s h ILE 118 Ca 0.01 -1.53 -0.20 0.00 1.00 0.00 0.00 64.86 64.14 1k9s h ILE 118 Cb 0.87 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1k9s h ILE 118 CO 0.07 0.49 -0.83 0.03 0.00 0.00 0.00 178.15 177.90 1k9s h ARG 119 N 0.52 0.31 -0.86 2.37 3.08 -0.96 -3.37 114.38 115.47 1k9s h ARG 119 Ca 0.05 -0.30 -0.61 0.00 0.07 0.00 0.00 59.98 59.19 1k9s h ARG 119 Cb 0.89 0.08 -0.37 0.00 0.08 0.00 0.00 29.97 30.64 1k9s h ARG 119 CO 0.08 0.98 -0.08 0.34 -1.07 0.00 0.00 179.97 180.21 1k9s n PHE 120 N -3.74 2.96 -3.96 3.04 7.35 0.60 -4.94 117.46 118.76 1k9s n PHE 120 Ca -0.04 -2.57 -0.32 0.00 -0.76 0.00 0.00 57.45 53.75 1k9s n PHE 120 Cb 0.77 -0.82 0.00 0.00 0.35 0.00 0.00 39.48 39.78 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 -0.80 -4.38 -1.40 -4.13 5.02 -1.17 -1.63 118.16 109.67 1k9s n LYS 121 Ca 0.52 0.50 -0.14 0.00 -2.02 0.00 0.00 58.31 57.18 1k9s n LYS 121 Cb 0.84 -5.32 -0.06 0.00 -0.02 0.00 0.00 35.03 30.47 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 -2.69 -4.96 -3.29 4.39 2.03 0.45 -5.00 116.55 107.48 1k9s n ASP 122 Ca 0.05 0.34 -0.09 0.00 0.52 0.00 0.00 54.79 55.61 1k9s n ASP 122 Cb 0.51 -3.66 0.03 0.00 -0.72 0.00 0.00 41.12 37.28 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 -2.50 -2.61 -3.16 -0.67 8.25 -0.64 -5.01 115.22 108.87 1k9s n HIS 123 Ca -0.14 -0.93 -0.42 0.00 -0.26 0.00 0.00 57.72 55.97 1k9s n HIS 123 Cb 0.50 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 1k9s n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k9s s ASP 124 N -2.57 6.33 -0.23 0.41 1.11 -1.26 -4.58 116.67 115.87 1k9s s ASP 124 Ca 0.26 -0.22 -0.14 0.00 0.18 0.00 0.00 52.55 52.63 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 0.17 -0.66 0.30 0.12 1.18 0.00 0.00 175.17 176.28 1k9s s PHE 125 N 2.63 3.32 -0.59 4.23 5.36 -1.26 -5.03 117.98 126.65 1k9s s PHE 125 Ca 0.21 0.42 -0.28 0.00 -0.96 0.00 0.00 56.93 56.32 1k9s s PHE 125 Cb -0.15 -2.44 0.03 0.00 -0.34 0.00 0.00 43.02 40.12 1k9s s PHE 125 CO 0.16 -0.04 1.19 0.00 -1.46 0.00 0.00 175.22 175.08 1k9s s ALA 126 N 1.40 2.99 -0.54 11.12 0.00 -1.26 -4.96 121.76 130.51 1k9s s ALA 126 Ca 0.14 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 1k9s s ALA 126 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 23.12 18.95 1k9s s ALA 126 CO 0.07 -2.69 1.40 0.00 0.00 0.00 0.00 175.76 174.55 1k9s s ALA 127 N 4.97 2.85 0.22 0.00 0.00 -1.26 -4.98 121.76 123.57 1k9s s ALA 127 Ca 0.42 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.88 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 -2.84 -0.20 0.96 0.00 0.00 0.00 175.76 173.93 1k9s s ILE 128 N 5.91 2.18 0.74 0.00 -4.36 -1.26 -0.85 121.20 123.56 1k9s s ILE 128 Ca 0.53 -2.18 -0.07 0.00 -0.26 0.00 0.00 60.65 58.67 1k9s s ILE 128 Cb -0.11 -2.12 0.09 0.00 1.25 0.00 0.00 42.46 41.57 1k9s s ILE 128 CO 0.26 -0.34 1.06 0.00 0.24 0.00 0.00 174.94 176.16 1k9s s ALA 129 N -2.28 3.08 0.01 2.27 0.00 -0.57 -4.83 121.76 119.44 1k9s s ALA 129 Ca 0.23 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1k9s s ALA 129 Cb -0.05 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1k9s s ALA 129 CO 0.11 -1.49 1.04 0.34 0.00 0.00 0.00 175.76 175.76 1k9s s ASP 130 N -4.60 7.29 0.18 0.00 2.15 -0.72 -4.95 116.67 116.02 1k9s s ASP 130 Ca 0.63 1.75 -0.12 0.00 0.43 0.00 0.00 52.55 55.24 1k9s s ASP 130 Cb -0.09 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.11 1k9s s ASP 130 CO 0.46 -0.32 1.79 0.15 -0.17 0.00 0.00 175.17 177.08 1k9s h PHE 131 N 6.81 0.50 -0.84 -5.34 3.57 -1.95 -1.79 116.94 117.89 1k9s h PHE 131 Ca -0.41 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1k9s h PHE 131 Cb 1.22 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1k9s h PHE 131 CO 0.68 0.24 0.40 -0.44 -2.23 0.00 0.00 178.31 176.96 1k9s h ASP 132 N 0.53 1.11 -0.42 0.41 3.32 -1.99 -0.78 116.42 118.59 1k9s h ASP 132 Ca 0.23 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1k9s h ASP 132 Cb 0.14 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1k9s h ASP 132 CO -0.16 0.94 0.09 0.24 -1.72 0.00 0.00 179.24 178.63 1k9s h MET 133 N 1.20 0.76 -0.11 3.56 2.86 -1.85 0.07 114.93 121.43 1k9s h MET 133 Ca 0.29 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1k9s h MET 133 Cb 0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1k9s h MET 133 CO -0.04 0.71 0.04 0.28 1.06 0.00 0.00 176.91 178.96 1k9s h VAL 134 N 0.73 1.16 -0.62 -2.22 2.07 -0.46 -1.93 116.25 114.97 1k9s h VAL 134 Ca 0.16 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1k9s h VAL 134 Cb 0.32 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1k9s h VAL 134 CO 0.00 0.14 0.31 -0.09 0.02 0.00 0.00 177.57 177.96 1k9s h ARG 135 N 0.00 0.89 -0.98 1.57 2.43 -0.89 -1.17 114.38 116.24 1k9s h ARG 135 Ca 0.04 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1k9s h ARG 135 Cb 0.19 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 1k9s h ARG 135 CO -0.00 0.70 0.65 -0.91 -1.51 0.00 0.00 179.97 178.90 1k9s h ASN 136 N 0.85 1.10 -0.01 -3.80 2.35 -0.87 0.17 115.58 115.37 1k9s h ASN 136 Ca 0.22 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1k9s h ASN 136 Cb 0.10 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1k9s h ASN 136 CO -0.03 0.78 -0.49 0.00 -1.65 0.00 0.00 177.43 176.04 1k9s h ALA 137 N 1.41 0.75 -0.43 -0.83 0.00 -0.93 -0.04 119.26 119.19 1k9s h ALA 137 Ca 0.37 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1k9s h ALA 137 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1k9s h ALA 137 CO -0.10 0.67 0.05 0.28 0.00 0.00 0.00 179.25 180.15 1k9s h VAL 138 N 0.45 1.25 -0.51 0.00 2.07 -0.70 -1.35 116.25 117.45 1k9s h VAL 138 Ca 0.02 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1k9s h VAL 138 Cb 1.02 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1k9s h VAL 138 CO 0.09 0.32 -0.08 0.44 0.02 0.00 0.00 177.57 178.37 1k9s h ASP 139 N 0.57 0.96 -0.79 0.57 3.32 -0.86 -1.34 116.42 118.85 1k9s h ASP 139 Ca 0.13 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1k9s h ASP 139 Cb 0.41 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1k9s h ASP 139 CO 0.01 1.07 0.33 0.00 -1.72 0.00 0.00 179.24 178.94 1k9s h ALA 140 N 0.92 1.09 -0.51 3.45 0.00 -0.91 -0.78 119.26 122.51 1k9s h ALA 140 Ca 0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1k9s h ALA 140 Cb 0.63 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1k9s h ALA 140 CO 0.04 0.66 0.10 0.00 0.00 0.00 0.00 179.25 180.05 1k9s h ALA 141 N 1.21 0.68 -0.40 0.00 0.00 -1.01 -2.33 119.26 117.41 1k9s h ALA 141 Ca 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k9s h ALA 141 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1k9s h ALA 141 CO -0.03 0.40 0.23 -0.22 0.00 0.00 0.00 179.25 179.64 1k9s h LYS 142 N 0.72 0.54 -0.05 0.00 1.63 -0.82 0.26 116.57 118.86 1k9s h LYS 142 Ca 0.16 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1k9s h LYS 142 Cb 0.38 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1k9s h LYS 142 CO 0.01 0.42 0.04 0.00 -3.45 0.00 0.00 179.45 176.46 1k9s h ALA 143 N 1.09 1.86 -0.06 5.00 0.00 -0.96 0.69 119.26 126.88 1k9s h ALA 143 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1k9s h ALA 143 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1k9s h ALA 143 CO -0.03 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1k9s n LEU 144 N -4.24 1.94 0.00 0.00 4.77 -0.66 -4.94 117.00 113.87 1k9s n LEU 144 Ca -0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1k9s n LEU 144 Cb 0.14 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1k9s n LEU 144 CO 0.31 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1k9s n GLY 145 N 1.22 0.53 3.28 -0.72 0.00 0.23 -5.07 105.19 104.67 1k9s n GLY 145 Ca 0.18 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 2.25 -0.79 -0.61 1.01 0.82 -4.99 121.20 116.89 1k9s s ILE 146 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1k9s s ILE 146 Cb 0.00 -1.85 0.18 0.00 0.01 0.00 0.00 42.46 40.80 1k9s s ILE 146 CO 0.00 0.56 0.79 -1.81 0.00 0.00 0.00 174.94 174.48 1k9s s ASP 147 N 0.03 6.62 0.47 3.58 1.01 -1.26 -3.16 116.67 123.95 1k9s s ASP 147 Ca -0.09 -2.36 -0.21 0.00 0.71 0.00 0.00 52.55 50.60 1k9s s ASP 147 Cb -0.15 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.45 1k9s s ASP 147 CO 0.05 -0.74 1.07 0.00 0.21 0.00 0.00 175.17 175.76 1k9s s ALA 148 N 0.99 2.90 -0.11 5.23 0.00 -1.26 -4.77 121.76 124.73 1k9s s ALA 148 Ca 0.18 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 1k9s s ALA 148 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1k9s s ALA 148 CO -0.06 -0.40 0.20 1.03 0.00 0.00 0.00 175.76 176.52 1k9s s ARG 149 N -3.03 3.64 -0.12 0.00 0.52 -0.62 -4.95 118.95 114.39 1k9s s ARG 149 Ca 0.66 -0.03 -0.00 0.00 -0.52 0.00 0.00 55.73 55.84 1k9s s ARG 149 Cb -0.20 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 1k9s s ARG 149 CO 0.24 0.69 -0.12 0.08 0.02 0.00 0.00 175.30 176.21 1k9s s VAL 150 N -0.84 3.11 -1.07 3.52 1.01 -1.26 -0.17 120.40 124.71 1k9s s VAL 150 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1k9s s VAL 150 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1k9s s VAL 150 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1k9s n GLY 151 N 3.41 -0.74 3.83 4.51 0.00 -0.61 -4.93 105.19 110.65 1k9s n GLY 151 Ca -0.18 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 1k9s n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k9s s ASN 152 N -4.00 6.94 0.39 1.61 0.01 -1.26 -0.57 114.94 118.06 1k9s s ASN 152 Ca 0.00 1.14 0.08 0.00 -0.71 0.00 0.00 52.86 53.37 1k9s s ASN 152 Cb 0.00 -2.31 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 1k9s s ASN 152 CO 0.00 0.23 0.32 -0.76 -1.51 0.00 0.00 177.10 175.38 1k9s s LEU 153 N -1.38 3.40 -0.10 0.60 1.43 -0.41 -0.67 118.68 121.56 1k9s s LEU 153 Ca 0.31 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1k9s s LEU 153 Cb -0.18 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1k9s s LEU 153 CO 0.18 -0.55 -0.10 0.12 0.23 0.00 0.00 176.35 176.23 1k9s s PHE 154 N -2.44 1.56 -0.46 0.29 2.19 -0.18 -0.59 117.98 118.34 1k9s s PHE 154 Ca 0.45 -0.74 -0.16 0.00 0.33 0.00 0.00 56.93 56.81 1k9s s PHE 154 Cb -0.03 -1.23 0.06 0.00 -1.31 0.00 0.00 43.02 40.51 1k9s s PHE 154 CO 0.27 -0.47 0.39 -1.12 1.83 0.00 0.00 175.22 176.12 1k9s s SER 155 N 1.40 6.15 0.23 6.13 0.01 0.58 -0.90 113.70 127.29 1k9s s SER 155 Ca -0.00 -1.23 -0.10 0.00 1.31 0.00 0.00 55.95 55.93 1k9s s SER 155 Cb -0.13 -2.18 -0.07 0.00 0.21 0.00 0.00 66.02 63.84 1k9s s SER 155 CO -0.05 -0.62 0.56 0.00 0.41 0.00 0.00 173.24 173.53 1k9s s ALA 156 N 1.70 3.55 -0.04 1.44 0.00 0.19 -3.40 121.76 125.20 1k9s s ALA 156 Ca 0.05 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.83 1k9s s ALA 156 Cb -0.23 -2.45 -0.24 0.00 0.00 0.00 0.00 23.12 20.20 1k9s s ALA 156 CO 0.08 0.50 0.69 -0.44 0.00 0.00 0.00 175.76 176.59 1k9s h ASP 157 N 2.56 0.11 -3.68 0.00 5.19 -1.89 -3.41 116.42 115.30 1k9s h ASP 157 Ca -0.47 -0.22 -0.68 0.00 -0.62 0.00 0.00 57.03 55.04 1k9s h ASP 157 Cb 1.17 -0.04 -0.32 0.00 0.18 0.00 0.00 39.33 40.33 1k9s h ASP 157 CO 0.69 1.20 -0.70 -0.76 -3.12 0.00 0.00 179.24 176.54 1k9s s LEU 158 N -6.41 3.74 0.21 1.55 1.43 -1.26 -4.94 118.68 113.00 1k9s s LEU 158 Ca -0.08 -1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 51.83 1k9s s LEU 158 Cb 0.08 -1.72 0.14 0.00 0.03 0.00 0.00 46.19 44.72 1k9s s LEU 158 CO 0.82 -0.23 1.72 0.15 0.23 0.00 0.00 176.35 179.04 1k9s h PHE 159 N 8.04 1.17 -3.26 0.29 3.57 -1.98 -3.18 116.94 121.58 1k9s h PHE 159 Ca -0.25 -0.14 -0.77 0.00 3.53 0.00 0.00 57.97 60.33 1k9s h PHE 159 Cb 1.08 -0.33 -0.30 0.00 2.79 0.00 0.00 35.95 39.19 1k9s h PHE 159 CO 0.60 0.96 0.38 0.66 -2.23 0.00 0.00 178.31 178.68 1k9s n TYR 160 N -4.23 4.17 -2.75 0.41 4.01 -1.26 -5.05 117.16 112.47 1k9s n TYR 160 Ca 0.05 -3.62 -0.40 0.00 -0.16 0.00 0.00 57.90 53.77 1k9s n TYR 160 Cb 0.27 -1.41 -0.06 0.00 -0.31 0.00 0.00 39.34 37.83 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 -0.03 7.62 0.00 7.72 0.15 -1.21 -4.94 113.70 123.02 1k9s s SER 161 Ca 0.31 1.92 0.29 0.00 0.70 0.00 0.00 55.95 59.17 1k9s s SER 161 Cb -0.04 -2.61 1.22 0.00 -1.71 0.00 0.00 66.02 62.88 1k9s s SER 161 CO -0.04 0.12 1.89 -0.81 1.20 0.00 0.00 173.24 175.60 1k9s n PRO 162 N 1.71 0.20 -3.28 5.44 -0.04 -1.26 -4.51 135.00 133.25 1k9s n PRO 162 Ca -0.01 -0.03 -0.46 0.00 -0.04 0.00 0.00 63.50 62.96 1k9s n PRO 162 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.82 6.93 0.41 3.54 -1.08 -1.26 -4.89 116.67 117.50 1k9s s ASP 163 Ca 0.19 -2.92 0.12 0.00 -0.52 0.00 0.00 52.55 49.42 1k9s s ASP 163 Cb 0.19 -2.24 0.85 0.00 -1.46 0.00 0.00 42.92 40.27 1k9s s ASP 163 CO 0.53 -0.54 1.93 1.23 0.52 0.00 0.00 175.17 178.84 1k9s h GLY 164 N 7.78 0.14 2.00 2.66 0.00 -2.03 -3.00 103.07 110.62 1k9s h GLY 164 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1k9s h GLY 164 CO 0.88 0.08 -0.01 -2.09 0.00 0.00 0.00 176.54 175.40 1k9s h GLU 165 N 0.12 0.00 -0.24 4.80 4.81 -1.98 -3.08 114.58 119.01 1k9s h GLU 165 Ca 0.02 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1k9s h GLU 165 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1k9s h GLU 165 CO 0.03 0.01 0.16 1.98 -0.73 0.00 0.00 179.01 180.46 1k9s h MET 166 N 0.00 0.23 -0.58 1.92 4.05 -1.96 -1.89 114.93 116.70 1k9s h MET 166 Ca -0.00 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1k9s h MET 166 Cb 0.03 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.75 1k9s h MET 166 CO 0.00 0.15 0.25 0.74 0.23 0.00 0.00 176.91 178.28 1k9s h PHE 167 N 0.23 0.83 -0.39 1.39 0.04 -1.78 0.63 116.94 117.90 1k9s h PHE 167 Ca 0.10 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 1k9s h PHE 167 Cb 0.11 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1k9s h PHE 167 CO -0.00 0.63 -0.16 -0.44 -0.60 0.00 0.00 178.31 177.74 1k9s h ASP 168 N 0.82 0.72 -0.41 2.17 3.32 -1.56 -0.74 116.42 120.74 1k9s h ASP 168 Ca 0.20 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1k9s h ASP 168 Cb 0.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1k9s h ASP 168 CO -0.02 0.89 -0.16 0.58 -1.72 0.00 0.00 179.24 178.81 1k9s h VAL 169 N 0.65 1.28 -0.58 -1.35 2.07 -1.16 -1.42 116.25 115.74 1k9s h VAL 169 Ca 0.10 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.36 1k9s h VAL 169 Cb 0.63 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1k9s h VAL 169 CO 0.04 0.43 0.37 0.24 0.02 0.00 0.00 177.57 178.67 1k9s h MET 170 N 0.64 0.71 -0.14 1.57 2.86 -0.55 -1.79 114.93 118.25 1k9s h MET 170 Ca 0.10 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1k9s h MET 170 Cb 0.70 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1k9s h MET 170 CO 0.05 0.47 0.07 1.49 1.06 0.00 0.00 176.91 180.06 1k9s h GLU 171 N 0.73 0.19 -0.90 1.72 4.81 -0.97 -1.64 114.58 118.53 1k9s h GLU 171 Ca 0.22 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.54 1k9s h GLU 171 Cb -0.03 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 1k9s h GLU 171 CO -0.08 0.21 0.54 -0.22 -0.73 0.00 0.00 179.01 178.73 1k9s h LYS 172 N 0.12 0.84 -0.50 1.92 3.64 -0.99 -1.77 116.57 119.83 1k9s h LYS 172 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k9s h LYS 172 Cb 0.08 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1k9s h LYS 172 CO -0.01 0.55 0.00 0.66 -2.27 0.00 0.00 179.45 178.39 1k9s n TYR 173 N -4.70 0.61 -1.12 1.91 4.02 -0.70 -4.93 117.16 112.24 1k9s n TYR 173 Ca 0.16 -0.26 -0.04 0.00 -0.01 0.00 0.00 57.90 57.75 1k9s n TYR 173 Cb 0.32 -0.10 -0.02 0.00 -0.02 0.00 0.00 39.34 39.53 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 0.77 0.71 3.70 2.72 0.00 -0.66 -4.99 105.19 107.43 1k9s n GLY 174 Ca 0.11 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.85 0.20 0.08 -0.61 2.08 -0.66 -4.64 119.36 112.97 1k9s n ILE 175 Ca -0.04 -0.04 -0.13 0.00 0.56 0.00 0.00 62.75 63.10 1k9s n ILE 175 Cb 0.15 -2.05 -0.13 0.00 -0.75 0.00 0.00 39.64 36.86 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 7.74 0.30 -7.03 1.39 3.38 -1.24 -3.41 115.31 116.43 1k9s h LEU 176 Ca -0.45 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.13 1k9s h LEU 176 Cb 1.22 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 41.68 1k9s h LEU 176 CO 0.95 1.26 0.16 -0.83 0.09 0.00 0.00 178.44 180.07 1k9s s GLY 177 N -4.72 -0.55 -0.23 0.83 0.00 -1.25 -4.55 107.32 96.85 1k9s s GLY 177 Ca -0.03 1.35 -0.06 0.00 0.00 0.00 0.00 44.72 45.97 1k9s s GLY 177 CO 0.86 1.01 0.04 0.14 0.00 0.00 0.00 173.10 175.15 1k9s s VAL 178 N -1.01 4.17 0.00 1.40 1.01 0.13 -1.01 120.40 125.08 1k9s s VAL 178 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1k9s s VAL 178 Cb -0.01 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1k9s s VAL 178 CO 0.09 0.38 0.00 -1.84 0.00 0.00 0.00 175.10 173.72 1k9s n GLU 179 N 4.66 0.01 -0.31 2.72 -0.00 -0.08 -1.08 120.64 126.56 1k9s n GLU 179 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 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 -0.64 117.12 121.47 1k9s n MET 180 Ca 0.00 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1k9s n MET 180 Cb 0.00 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.35 -0.28 0.03 4.71 -1.26 -2.07 120.64 122.12 1k9s n GLU 181 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1k9s n GLU 181 Cb 0.62 -0.55 0.08 0.00 -1.01 0.00 0.00 31.44 30.58 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 0.42 -0.17 0.62 0.00 -1.94 -0.16 119.26 118.03 1k9s h ALA 182 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1k9s h ALA 182 Cb 0.11 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1k9s h ALA 182 CO 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 179.25 178.86 1k9s h ALA 183 N 1.65 1.81 -0.16 0.00 0.00 -1.84 -0.66 119.26 120.06 1k9s h ALA 183 Ca 0.36 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1k9s h ALA 183 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1k9s h ALA 183 CO -0.81 0.16 -0.31 0.78 0.00 0.00 0.00 179.25 179.07 1k9s h GLY 184 N 0.34 0.54 0.96 0.00 0.00 -1.40 -2.01 103.07 101.50 1k9s h GLY 184 Ca 0.06 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1k9s h GLY 184 CO -0.01 0.57 0.17 -2.22 0.00 0.00 0.00 176.54 175.05 1k9s h ILE 185 N 0.13 1.21 -0.28 2.60 2.04 -0.97 -1.55 117.51 120.69 1k9s h ILE 185 Ca 0.01 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1k9s h ILE 185 Cb 0.90 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1k9s h ILE 185 CO 0.07 0.25 -0.04 1.88 0.00 0.00 0.00 178.15 180.30 1k9s h TYR 186 N 0.61 0.46 -0.39 1.37 0.05 -1.15 0.11 116.97 118.02 1k9s h TYR 186 Ca 0.15 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 1k9s h TYR 186 Cb 0.22 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1k9s h TYR 186 CO 0.01 0.49 -0.13 0.78 -1.05 0.00 0.00 178.16 178.26 1k9s h GLY 187 N 0.81 0.85 0.92 3.88 0.00 -1.05 -2.05 103.07 106.42 1k9s h GLY 187 Ca 0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1k9s h GLY 187 CO 0.01 0.66 0.05 -2.08 0.00 0.00 0.00 176.54 175.19 1k9s h VAL 188 N 0.59 1.24 -0.69 4.60 2.07 -0.94 -0.74 116.25 122.38 1k9s h VAL 188 Ca 0.10 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1k9s h VAL 188 Cb 0.66 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1k9s h VAL 188 CO 0.05 0.29 0.42 0.00 0.02 0.00 0.00 177.57 178.34 1k9s h ALA 189 N 0.90 0.91 -0.39 1.67 0.00 -0.92 -0.68 119.26 120.75 1k9s h ALA 189 Ca 0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1k9s h ALA 189 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1k9s h ALA 189 CO 0.01 0.16 -0.35 0.00 0.00 0.00 0.00 179.25 179.07 1k9s h ALA 190 N 1.31 0.64 -0.78 0.00 0.00 -1.28 0.86 119.26 120.02 1k9s h ALA 190 Ca 0.29 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1k9s h ALA 190 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1k9s h ALA 190 CO -0.13 0.67 0.31 1.49 0.00 0.00 0.00 179.25 181.60 1k9s h GLU 191 N 0.75 1.15 -0.45 0.00 4.81 -0.59 -3.18 114.58 117.08 1k9s h GLU 191 Ca 0.07 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1k9s h GLU 191 Cb 0.93 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1k9s h GLU 191 CO 0.09 0.93 0.00 1.19 -0.73 0.00 0.00 179.01 180.49 1k9s n PHE 192 N -4.28 0.72 -2.77 0.92 3.72 -0.31 -5.00 117.46 110.46 1k9s n PHE 192 Ca 0.07 -0.55 -0.11 0.00 -0.05 0.00 0.00 57.45 56.81 1k9s n PHE 192 Cb 0.18 -0.07 0.02 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 0.70 0.13 3.43 1.37 0.00 -0.39 -4.98 105.19 105.44 1k9s n GLY 193 Ca 0.17 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.01 0.62 -2.51 4.61 0.00 0.16 -5.03 120.51 115.35 1k9s n ALA 194 Ca -0.04 -2.06 -0.32 0.00 0.00 0.00 0.00 53.44 51.03 1k9s n ALA 194 Cb 0.55 0.97 -0.15 0.00 0.00 0.00 0.00 19.45 20.82 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 -3.91 2.41 0.07 0.00 1.02 -0.82 -4.49 119.74 114.02 1k9s s LYS 195 Ca 0.16 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 1k9s s LYS 195 Cb -0.01 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1k9s s LYS 195 CO 0.10 0.52 -0.02 0.00 -0.92 0.00 0.00 175.35 175.03 1k9s s ALA 196 N -0.48 0.66 -0.17 5.17 0.00 -1.26 -1.43 121.76 124.24 1k9s s ALA 196 Ca 0.06 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.55 1k9s s ALA 196 Cb -0.11 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.42 1k9s s ALA 196 CO 0.01 -0.37 0.51 -1.17 0.00 0.00 0.00 175.76 174.74 1k9s s LEU 197 N -2.97 0.04 -0.12 0.00 2.96 -0.30 -1.76 118.68 116.53 1k9s s LEU 197 Ca 0.11 0.95 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1k9s s LEU 197 Cb 0.07 1.79 0.00 0.00 0.50 0.00 0.00 46.19 48.56 1k9s s LEU 197 CO -0.07 -0.23 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.62 1k9s s THR 198 N 0.05 2.13 -0.07 3.68 2.01 -1.26 -0.08 115.64 122.10 1k9s s THR 198 Ca -0.02 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.05 1k9s s THR 198 Cb -0.03 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1k9s s THR 198 CO 0.02 0.55 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.64 1k9s s ILE 199 N 0.53 1.91 0.12 1.82 1.01 0.09 -1.50 121.20 125.18 1k9s s ILE 199 Ca -0.14 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.59 1k9s s ILE 199 Cb -0.17 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1k9s s ILE 199 CO 0.05 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.40 1k9s s THR 201 N -2.41 3.34 -0.25 0.00 2.01 -0.42 -0.31 115.64 117.59 1k9s s THR 201 Ca 0.09 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1k9s s THR 201 Cb -0.03 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1k9s s THR 201 CO 0.02 0.54 1.66 -0.69 -0.69 0.00 0.00 174.62 175.46 1k9s s VAL 202 N 0.04 3.63 -0.87 3.82 1.01 -0.17 -2.09 120.40 125.78 1k9s s VAL 202 Ca -0.03 0.70 0.18 0.00 0.00 0.00 0.00 61.98 62.83 1k9s s VAL 202 Cb -0.14 -3.70 -0.20 0.00 0.00 0.00 0.00 36.38 32.34 1k9s s VAL 202 CO 0.04 -0.34 0.78 -1.54 0.00 0.00 0.00 175.10 174.04 1k9s n SER 203 N 8.95 0.87 -3.56 3.32 3.41 -0.29 -0.60 113.62 125.72 1k9s n SER 203 Ca 0.20 -0.93 -0.17 0.00 -0.26 0.00 0.00 58.87 57.71 1k9s n SER 203 Cb 0.46 1.01 -0.06 0.00 -0.26 0.00 0.00 64.21 65.35 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 -2.75 -0.61 -0.21 4.04 1.47 -1.24 -1.05 116.67 116.32 1k9s s ASP 204 Ca 0.07 0.70 0.00 0.00 1.18 0.00 0.00 52.55 54.50 1k9s s ASP 204 Cb 0.14 0.58 0.02 0.00 -0.34 0.00 0.00 42.92 43.32 1k9s s ASP 204 CO 0.76 -0.56 -0.13 -2.28 0.68 0.00 0.00 175.17 173.63 1k9s s HIS 205 N -1.08 2.95 0.51 2.11 2.46 -0.77 -1.14 115.29 120.32 1k9s s HIS 205 Ca -0.10 -1.65 0.16 0.00 0.47 0.00 0.00 55.06 53.94 1k9s s HIS 205 Cb -0.01 -1.98 1.26 0.00 -0.13 0.00 0.00 32.58 31.72 1k9s s HIS 205 CO 0.09 -0.77 2.14 0.82 -2.47 0.00 0.00 174.74 174.54 1k9s h ILE 206 N 6.09 1.00 0.03 0.89 5.03 -1.40 -0.04 117.51 129.12 1k9s h ILE 206 Ca -0.38 -0.07 -0.23 0.00 -0.12 0.00 0.00 64.86 64.06 1k9s h ILE 206 Cb 1.12 1.04 -0.02 0.00 -3.03 0.00 0.00 36.82 35.92 1k9s h ILE 206 CO 0.59 0.02 -1.22 0.03 -0.68 0.00 0.00 178.15 176.89 1k9s h ARG 207 N 0.00 0.07 0.00 2.37 2.47 -1.86 -3.38 114.38 114.05 1k9s h ARG 207 Ca -0.00 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1k9s h ARG 207 Cb 0.04 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1k9s h ARG 207 CO 0.00 1.06 -0.17 0.25 0.56 0.00 0.00 179.97 181.67 1k9s n THR 208 N -4.26 0.45 -1.16 2.04 -2.24 -1.23 -4.92 114.28 102.96 1k9s n THR 208 Ca -0.28 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.20 1k9s n THR 208 Cb 0.74 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.12 0.00 -1.75 4.78 8.25 -0.03 -5.00 115.22 119.35 1k9s n HIS 209 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 1k9s n HIS 209 Cb 0.42 -1.46 0.05 0.00 1.12 0.00 0.00 29.99 30.12 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 -1.98 2.81 -0.02 -0.41 2.02 -1.23 -4.83 118.70 115.05 1k9s s GLU 210 Ca 0.00 1.38 -0.01 0.00 0.02 0.00 0.00 54.97 56.35 1k9s s GLU 210 Cb 0.00 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.29 1k9s s GLU 210 CO 0.00 -1.24 0.05 -1.14 0.02 0.00 0.00 175.26 172.95 1k9s s GLN 211 N -4.12 0.04 0.23 1.61 0.74 -1.26 -1.85 119.66 115.05 1k9s s GLN 211 Ca 0.67 0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.90 1k9s s GLN 211 Cb -0.20 -0.06 -0.10 0.00 1.10 0.00 0.00 33.01 33.74 1k9s s GLN 211 CO 0.42 -0.06 1.50 -0.08 -0.55 0.00 0.00 175.29 176.52 1k9s s THR 212 N 0.41 2.55 0.62 -0.34 -1.32 -0.21 -4.99 115.64 112.34 1k9s s THR 212 Ca -0.03 0.44 -0.15 0.00 -1.21 0.00 0.00 61.69 60.73 1k9s s THR 212 Cb -0.05 -3.28 -0.02 0.00 -1.51 0.00 0.00 72.50 67.64 1k9s s THR 212 CO -0.01 0.06 1.07 -0.89 -2.21 0.00 0.00 174.62 172.64 1k9s s THR 213 N 0.34 3.68 0.46 5.08 2.01 -1.26 -4.78 115.64 121.17 1k9s s THR 213 Ca 0.63 0.78 0.15 0.00 0.31 0.00 0.00 61.69 63.55 1k9s s THR 213 Cb -0.43 -3.31 0.31 0.00 0.01 0.00 0.00 72.50 69.08 1k9s s THR 213 CO 0.40 -0.49 2.04 0.00 -0.69 0.00 0.00 174.62 175.88 1k9s h ALA 214 N 0.26 2.02 0.03 7.40 0.00 -1.98 0.79 119.26 127.78 1k9s h ALA 214 Ca -0.47 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 1k9s h ALA 214 Cb 1.23 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1k9s h ALA 214 CO 0.57 -0.10 -0.99 0.00 0.00 0.00 0.00 179.25 178.73 1k9s h ALA 215 N 1.79 0.08 -0.13 0.00 0.00 -2.00 -2.96 119.26 116.03 1k9s h ALA 215 Ca 0.18 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1k9s h ALA 215 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1k9s h ALA 215 CO -0.04 0.60 -0.39 0.93 0.00 0.00 0.00 179.25 180.36 1k9s h GLU 216 N 0.24 0.28 -0.63 0.00 5.08 -1.63 -2.63 114.58 115.29 1k9s h GLU 216 Ca -0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1k9s h GLU 216 Cb 1.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.88 1k9s h GLU 216 CO 0.19 0.63 0.30 0.00 -1.00 0.00 0.00 179.01 179.13 1k9s h ARG 217 N 0.24 0.89 0.23 2.33 3.08 0.56 -1.78 114.38 119.93 1k9s h ARG 217 Ca 0.02 -0.11 -0.33 0.00 0.07 0.00 0.00 59.98 59.63 1k9s h ARG 217 Cb 0.79 -0.17 0.03 0.00 0.08 0.00 0.00 29.97 30.71 1k9s h ARG 217 CO 0.06 0.69 -1.45 0.37 -1.07 0.00 0.00 179.97 178.57 1k9s h GLN 218 N 0.89 0.49 -0.14 0.04 5.75 -1.33 -2.61 115.11 118.19 1k9s h GLN 218 Ca 0.22 -0.84 -0.05 0.00 -0.15 0.00 0.00 58.65 57.83 1k9s h GLN 218 Cb 0.09 0.31 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1k9s h GLN 218 CO -0.03 1.40 -0.10 1.15 -2.65 0.00 0.00 178.83 178.60 1k9s h THR 219 N 0.13 1.33 -0.54 2.39 2.02 -1.39 -2.39 112.91 114.46 1k9s h THR 219 Ca -0.24 -1.20 -0.12 0.00 0.77 0.00 0.00 66.41 65.63 1k9s h THR 219 Cb 2.14 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 70.34 1k9s h THR 219 CO 0.26 0.35 -0.12 0.71 0.37 0.00 0.00 175.52 177.09 1k9s h THR 220 N -0.03 1.27 -0.98 3.16 1.35 -1.47 -2.28 112.91 113.92 1k9s h THR 220 Ca 0.03 -1.28 0.09 0.00 -0.55 0.00 0.00 66.41 64.69 1k9s h THR 220 Cb 0.60 0.98 -0.07 0.00 -1.73 0.00 0.00 68.15 67.92 1k9s h THR 220 CO 0.03 0.45 0.63 0.15 -0.25 0.00 0.00 175.52 176.53 1k9s h PHE 221 N 0.91 1.14 -0.34 4.73 3.57 -1.47 -1.65 116.94 123.83 1k9s h PHE 221 Ca 0.14 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1k9s h PHE 221 Cb 0.69 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1k9s h PHE 221 CO 0.05 0.54 0.04 -0.91 -2.23 0.00 0.00 178.31 175.80 1k9s h ASN 222 N 1.07 0.56 -0.75 0.41 -0.26 -0.95 -1.88 115.58 113.78 1k9s h ASN 222 Ca 0.45 -0.27 0.04 0.00 -0.56 0.00 0.00 56.30 55.95 1k9s h ASN 222 Cb 0.30 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.36 1k9s h ASN 222 CO -0.20 0.69 0.47 0.44 -1.06 0.00 0.00 177.43 177.77 1k9s h ASP 223 N 0.41 0.76 -0.60 5.81 3.32 -0.80 -0.68 116.42 124.63 1k9s h ASP 223 Ca 0.10 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1k9s h ASP 223 Cb 0.38 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1k9s h ASP 223 CO 0.01 0.51 0.28 -0.03 -1.72 0.00 0.00 179.24 178.30 1k9s h MET 224 N 0.90 0.87 -0.70 3.56 4.05 -1.19 -0.86 114.93 121.56 1k9s h MET 224 Ca 0.31 -0.13 -0.07 0.00 -0.28 0.00 0.00 59.70 59.52 1k9s h MET 224 Cb 0.05 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1k9s h MET 224 CO -0.13 0.71 0.15 0.82 0.23 0.00 0.00 176.91 178.70 1k9s h ILE 225 N 0.83 1.26 -0.07 1.77 1.08 -0.72 -0.63 117.51 121.03 1k9s h ILE 225 Ca 0.21 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1k9s h ILE 225 Cb 0.13 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1k9s h ILE 225 CO -0.02 0.38 0.04 0.11 -0.69 0.00 0.00 178.15 177.97 1k9s h LYS 226 N 1.08 0.09 -0.40 2.37 1.79 -0.78 -0.03 116.57 120.69 1k9s h LYS 226 Ca 0.22 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.75 1k9s h LYS 226 Cb 0.40 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 1k9s h LYS 226 CO 0.01 0.10 0.04 0.82 -1.08 0.00 0.00 179.45 179.35 1k9s h ILE 227 N 0.05 0.75 -0.27 1.86 2.04 -0.91 0.31 117.51 121.36 1k9s h ILE 227 Ca 0.02 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1k9s h ILE 227 Cb 0.04 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1k9s h ILE 227 CO -0.00 0.03 0.17 0.00 0.00 0.00 0.00 178.15 178.34 1k9s h ALA 228 N 1.32 0.34 -0.18 1.87 0.00 -0.68 -0.10 119.26 121.84 1k9s h ALA 228 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k9s h ALA 228 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1k9s h ALA 228 CO -0.29 -0.17 0.01 -0.07 0.00 0.00 0.00 179.25 178.74 1k9s h LEU 229 N 0.34 0.29 -1.42 0.00 3.38 -0.64 -2.67 115.31 114.59 1k9s h LEU 229 Ca 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1k9s h LEU 229 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1k9s h LEU 229 CO -0.02 0.50 -0.10 -0.33 0.09 0.00 0.00 178.44 178.59 1k9s h GLU 230 N 0.07 0.26 -0.14 1.13 4.39 -0.89 -1.98 114.58 117.42 1k9s h GLU 230 Ca 0.05 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1k9s h GLU 230 Cb 0.35 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1k9s h GLU 230 CO 0.01 0.37 -0.22 0.66 -1.16 0.00 0.00 179.01 178.67 1k9s h SER 231 N 0.25 0.23 -0.61 1.42 4.64 -0.77 -2.05 113.55 116.66 1k9s h SER 231 Ca 0.05 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1k9s h SER 231 Cb 0.34 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1k9s h SER 231 CO 0.02 0.46 0.07 0.58 -0.87 0.00 0.00 176.83 177.09 1k9s h VAL 232 N 0.22 1.26 -0.59 0.95 2.07 -1.03 -1.83 116.25 117.30 1k9s h VAL 232 Ca 0.04 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1k9s h VAL 232 Cb 0.51 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1k9s h VAL 232 CO 0.03 0.38 0.08 -0.07 0.02 0.00 0.00 177.57 178.02 1k9s h LEU 233 N 0.93 0.91 -0.89 2.57 3.38 -1.24 -2.15 115.31 118.82 1k9s h LEU 233 Ca 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1k9s h LEU 233 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1k9s h LEU 233 CO 0.02 0.93 0.22 -0.07 0.09 0.00 0.00 178.44 179.62 1k9s h LEU 234 N 0.90 0.96 -1.50 1.67 3.38 -1.10 -2.63 115.31 117.00 1k9s h LEU 234 Ca 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1k9s h LEU 234 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1k9s h LEU 234 CO 0.01 0.89 -0.20 1.23 0.09 0.00 0.00 178.44 180.46 1k9s h GLY 235 N 1.07 0.00 1.97 0.83 0.00 -0.80 -2.91 103.07 103.24 1k9s h GLY 235 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.41 1k9s h GLY 235 CO -0.01 0.00 -0.68 -0.55 0.00 0.00 0.00 176.54 175.30 1k9s h ASP 236 N 0.00 0.03 0.00 0.19 3.32 -1.02 -3.51 116.42 115.43 1k9s h ASP 236 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1k9s h ASP 236 Cb 0.55 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1k9s h ASP 236 CO 0.03 0.70 0.00 0.29 -1.72 0.00 0.00 179.24 178.54